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DAMASK_EICMD/code/math.f90

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reworked neares neigbor search subroutine, now also works for voronoi tesselation (general nn search in periodic cell)
2012-05-04 18:37:37 +05:30
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! This file is part of DAMASK,
changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
2011-04-07 12:50:28 +05:30
! the Düsseldorf Advanced MAterial Simulation Kit.
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! DAMASK is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU General Public License for more details.
!
! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
!
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
#ifdef Spectral
#include "kdtree2.f90"
#endif
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
!--------------------------------------------------------------------------------------------------
added version information to all files do NOT edit text like this: $Id: constitutive_phenopowerlaw.f90 406 2009-08-31 14:13:10Z MPIE\f.roters $
2009-08-31 20:39:15 +05:30
!* $Id$
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Mathematical library, including random number generation and tensor represenations
!--------------------------------------------------------------------------------------------------
new subroutine find_nearest_neigbor, basically a wrapper function for our purpose to kdtree2 split up kdtree2.f90 again from math.f90 to make the files better accessible
2012-02-02 21:27:22 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
module math
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
use, intrinsic :: iso_c_binding
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
use prec, only: pReal,pInt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
real(pReal), parameter, public :: PI = 3.14159265358979323846264338327950288419716939937510_pReal
real(pReal), parameter, public :: INDEG = 180.0_pReal/pi
real(pReal), parameter, public :: INRAD = pi/180.0_pReal
complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)* pi
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
real(pReal), dimension(3,3), parameter, public :: &
math_I3 = reshape([&
1.0_pReal,0.0_pReal,0.0_pReal, &
0.0_pReal,1.0_pReal,0.0_pReal, &
0.0_pReal,0.0_pReal,1.0_pReal &
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
],[3,3]) !< 3x3 Identity
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
integer(pInt), dimension (2,6), parameter, private :: &
mapMandel = reshape([&
1_pInt,1_pInt, &
2_pInt,2_pInt, &
3_pInt,3_pInt, &
1_pInt,2_pInt, &
2_pInt,3_pInt, &
1_pInt,3_pInt &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
],[2,6]) !< arrangement in Mandel notation
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
real(pReal), dimension(6), parameter, private :: &
nrmMandel = [&
1.0_pReal, 1.0_pReal, 1.0_pReal,&
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal] !< weighting for Mandel notation (forward)
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
real(pReal), dimension(6), parameter , public :: &
invnrmMandel = [&
1.0_pReal, 1.0_pReal, 1.0_pReal,&
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal] !< weighting for Mandel notation (backward)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
integer(pInt), dimension (2,6), parameter, private :: &
mapVoigt = reshape([&
1_pInt,1_pInt, &
2_pInt,2_pInt, &
3_pInt,3_pInt, &
2_pInt,3_pInt, &
1_pInt,3_pInt, &
1_pInt,2_pInt &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
],[2,6]) !< arrangement in Voigt notation
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
real(pReal), dimension(6), parameter, private :: &
nrmVoigt = 1.0_pReal, & !< weighting for Voigt notation (forward)
invnrmVoigt = 1.0_pReal !< weighting for Voigt notation (backward)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
integer(pInt), dimension (2,9), parameter, private :: &
mapPlain = reshape([&
1_pInt,1_pInt, &
1_pInt,2_pInt, &
1_pInt,3_pInt, &
2_pInt,1_pInt, &
2_pInt,2_pInt, &
2_pInt,3_pInt, &
3_pInt,1_pInt, &
3_pInt,2_pInt, &
3_pInt,3_pInt &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
],[2,9]) !< arrangement in Plain notation
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
integer(pInt), dimension(2), parameter, private :: &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
math_NsymOperations = [24_pInt,12_pInt] !< Symmetry operations as quaternions 24 for cubic, 12 for hexagonal = 36
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
real(pReal), dimension(4,36), parameter, private :: &
math_symOperations = reshape([&
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! cubic symmetry operations
0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal, & ! 2-fold symmetry
0.0_pReal, 0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
0.0_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, -0.7071067811865476_pReal, &
0.0_pReal, -0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
0.0_pReal, 0.7071067811865476_pReal, -0.7071067811865476_pReal, 0.0_pReal, &
0.5_pReal, 0.5_pReal, 0.5_pReal, 0.5_pReal, & ! 3-fold symmetry
-0.5_pReal, 0.5_pReal, 0.5_pReal, 0.5_pReal, &
0.5_pReal, -0.5_pReal, 0.5_pReal, 0.5_pReal, &
-0.5_pReal, -0.5_pReal, 0.5_pReal, 0.5_pReal, &
0.5_pReal, 0.5_pReal, -0.5_pReal, 0.5_pReal, &
-0.5_pReal, 0.5_pReal, -0.5_pReal, 0.5_pReal, &
0.5_pReal, 0.5_pReal, 0.5_pReal, -0.5_pReal, &
-0.5_pReal, 0.5_pReal, 0.5_pReal, -0.5_pReal, &
0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, & ! 4-fold symmetry
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, &
-0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, &
0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
-0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, 0.0_pReal, &
0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal, &
-0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
corrected symmetry operations for hex.
2010-04-12 13:34:26 +05:30
0.0_pReal, 0.5_pReal, 0.866025403784439_pReal, 0.0_pReal, &
0.0_pReal, -0.5_pReal, 0.866025403784439_pReal, 0.0_pReal, &
0.0_pReal, 0.866025403784439_pReal, 0.5_pReal, 0.0_pReal, &
0.0_pReal, -0.866025403784439_pReal, 0.5_pReal, 0.0_pReal, &
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, & ! 6-fold symmetry
-0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, &
0.5_pReal, 0.0_pReal, 0.0_pReal, 0.866025403784439_pReal, &
-0.5_pReal, 0.0_pReal, 0.0_pReal, 0.866025403784439_pReal, &
0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal &
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
],[4,36])
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
include 'fftw3.f03'
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
public :: math_init, &
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
qsort, &
math_range, &
math_identity2nd, &
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_identity4th, &
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
math_delta, &
math_civita, &
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_vectorproduct, &
math_tensorproduct, &
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
math_norm3, &
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_mul3x3, &
math_mul6x6, &
math_mul33xx33, &
math_mul3333xx33, &
math_mul3333xx3333, &
math_mul33x33, &
math_mul66x66, &
math_mul99x99, &
math_mul33x3, &
math_mul33x3_complex, &
math_mul66x6 , &
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
math_trace33, &
math_det33, &
math_norm33, &
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_transpose33, &
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
math_skew33, &
math_exp33 , &
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_inv33, &
math_invert33, &
math_invSym3333, &
math_invert, &
math_symmetric33, &
math_symmetric66, &
math_deviatoric33, &
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
math_equivStrain33, &
math_qConj, &
math_qRot
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
#ifdef Spectral
public :: math_curlFFT, &
math_divergenceFFT, &
math_divergenceFDM, &
math_tensorAvg, &
math_logstrainSpat, &
math_logstrainMat, &
math_cauchy, &
math_nearestNeighborSearch
private :: mesh_location, &
mesh_index
#endif
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
! private :: math_partition, &
! math_delta, &
! math_qRnd, &
! math_qMul, &
! math_qDot, &
! math_qNorm, &
! math_qInv, &
! prime, &
! get_seed, &
! halton, &
! halton_memory, &
! halton_ndim_set, &
! halton_seed_set, &
! i_to_halton
! math_equivStrain33_field
! math_spectralDecompositionSym33
! math_pDecomposition
! math_spectral1
! math_hi
! math_det33
! math_norm33
! math_norm3
! math_Plain33to9
! math_Plain9to33
! math_Mandel33to6
! math_Mandel6to33
! math_Plain3333to99
! math_Plain99to3333
! math_Mandel66toPlain66
! math_Plain66toMandel66
! math_Mandel3333to66
! math_Mandel66to3333
! math_Voigt66to3333
! math_RtoEuler
! math_RtoQuaternion
! math_EulerToR
! math_EulerToQuaternion
! math_AxisAngleToR
! math_AxisAngleToQuaternion
! math_QuaternionToR
! math_QuaternionToEuler
! math_QuaternionToAxisAngle
! math_QuaternionToRodrig
! math_EulerMisorientation
! math_QuaternionInSST
! math_QuaternionDisorientation
! math_sampleRandomOri
! math_sampleGaussOri
! math_sampleFiberOri
! math_symmetricEulers
! math_sampleGaussVar
! math_eigenvalues33
! math_volTetrahedron
! math_rotate_forward33
! math_rotate_backward33
! math_rotate_forward3333
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
contains
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief initialization of random seed generator
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine math_init
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
use prec, only: tol_math_check
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down. IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90. numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number. math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number) numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 21:00:40 +05:30
use numerics, only: fixedSeed
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
use IO, only: IO_error
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
implicit none
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
integer(pInt) :: i
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(3,3) :: R,R2
fixed syntax errors in last commit -- hopefully no further ones...
2010-05-04 18:33:35 +05:30
real(pReal), dimension(3) :: Eulers
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
real(pReal), dimension(4) :: q,q2,axisangle,randTest
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! the following variables are system dependend and shound NOT be pInt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
integer :: randSize ! gfortran requires a variable length to compile
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
integer, dimension(:), allocatable :: randInit ! if recalculations of former randomness (with given seed) is necessary
! comment the first random_seed call out, set randSize to 1, and use ifort
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
character(len=64) :: error_msg
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
!$OMP CRITICAL (write2out)
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write(6,*) ''
added version information to all files do NOT edit text like this: $Id: constitutive_phenopowerlaw.f90 406 2009-08-31 14:13:10Z MPIE\f.roters $
2009-08-31 20:39:15 +05:30
write(6,*) '<<<+- math init -+>>>'
write(6,*) '$Id$'
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
#include "compilation_info.f90"
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
!$OMP END CRITICAL (write2out)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
call random_seed(size=randSize)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
if (allocated(randInit)) deallocate(randInit)
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
allocate(randInit(randSize))
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
if (fixedSeed > 0_pInt) then
fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random removed old random function used by halton
2012-08-30 20:28:30 +05:30
randInit(1:randSize) = int(fixedSeed) ! fixedSeed is of type pInt, randInit not
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down. IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90. numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number. math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number) numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 21:00:40 +05:30
call random_seed(put=randInit)
else
call random_seed()
fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random removed old random function used by halton
2012-08-30 20:28:30 +05:30
call random_seed(get = randInit)
randInit(2:randSize) = randInit(1)
call random_seed(put = randInit)
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down. IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90. numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number. math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number) numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 21:00:40 +05:30
endif
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do i = 1_pInt, 4_pInt
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
call random_number(randTest(i))
enddo
changed output/debug-level relation for two statements
2011-06-14 19:38:13 +05:30
!$OMP CRITICAL (write2out)
polishing
2012-11-22 15:28:36 +05:30
write(6,*) 'size of random seed: ', randSize
fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random removed old random function used by halton
2012-08-30 20:28:30 +05:30
do i =1, randSize
write(6,*) 'value of random seed: ', i, randInit(i)
enddo
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
write(6,'(a,4(/,26x,f17.14))') ' start of random sequence: ', randTest
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
write(6,*) ''
changed output/debug-level relation for two statements
2011-06-14 19:38:13 +05:30
!$OMP END CRITICAL (write2out)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random removed old random function used by halton
2012-08-30 20:28:30 +05:30
call random_seed(put = randInit)
correctet random seed generation to work with gfortran.
2011-11-04 15:59:35 +05:30
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
call halton_seed_set(int(randInit(1), pInt))
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call halton_ndim_set(3_pInt)
fixed syntax errors in last commit -- hopefully no further ones...
2010-05-04 18:33:35 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! --- check rotation dictionary ---
! +++ q -> a -> q +++
q = math_qRnd();
axisangle = math_QuaternionToAxisAngle(q);
q2 = math_AxisAngleToQuaternion(axisangle(1:3),axisangle(4))
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if ( any(abs( q-q2) > tol_math_check) .and. &
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
any(abs(-q-q2) > tol_math_check) ) then
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(401_pInt,ext_msg=error_msg)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
endif
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! +++ q -> R -> q +++
R = math_QuaternionToR(q);
q2 = math_RToQuaternion(R)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if ( any(abs( q-q2) > tol_math_check) .and. &
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
any(abs(-q-q2) > tol_math_check) ) then
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(402_pInt,ext_msg=error_msg)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
endif
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! +++ q -> euler -> q +++
Eulers = math_QuaternionToEuler(q);
q2 = math_EulerToQuaternion(Eulers)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if ( any(abs( q-q2) > tol_math_check) .and. &
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
any(abs(-q-q2) > tol_math_check) ) then
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(403_pInt,ext_msg=error_msg)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
endif
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! +++ R -> euler -> R +++
Eulers = math_RToEuler(R);
R2 = math_EulerToR(Eulers)
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
if ( any(abs( R-R2) > tol_math_check) ) then
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier added compiler switches for gfortran and ifort to check for standard conformity old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-02-01 00:48:55 +05:30
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',maxval(abs( R-R2))
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(404_pInt,ext_msg=error_msg)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine math_init
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
add symmetry operators and a subroutine for misorientation calculation
2009-01-26 18:28:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Quicksort algorithm for two-dimensional integer arrays
added quicksort
2007-04-03 13:47:58 +05:30
! Sorting is done with respect to array(1,:)
! and keeps array(2:N,:) linked to it.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
recursive subroutine qsort(a, istart, iend)
added quicksort
2007-04-03 13:47:58 +05:30
implicit none
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
integer(pInt), dimension(:,:), intent(inout) :: a
integer(pInt), intent(in) :: istart,iend
integer(pInt) :: ipivot
added quicksort
2007-04-03 13:47:58 +05:30
if (istart < iend) then
ipivot = math_partition(a,istart, iend)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call qsort(a, istart, ipivot-1_pInt)
call qsort(a, ipivot+1_pInt, iend)
added quicksort
2007-04-03 13:47:58 +05:30
endif
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine qsort
added quicksort
2007-04-03 13:47:58 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Partitioning required for quicksort
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
integer(pInt) function math_partition(a, istart, iend)
added quicksort
2007-04-03 13:47:58 +05:30
implicit none
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
integer(pInt), dimension(:,:), intent(inout) :: a
integer(pInt), intent(in) :: istart,iend
integer(pInt) :: d,i,j,k,x,tmp
added quicksort
2007-04-03 13:47:58 +05:30
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
d = int(size(a,1_pInt), pInt) ! number of linked data
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! set the starting and ending points, and the pivot point
i = istart
debugged quicksort algorithm slightly (now able to do multiple identical keys)
2007-04-04 14:19:48 +05:30
j = iend
added quicksort
2007-04-03 13:47:58 +05:30
x = a(1,istart)
do
! find the first element on the right side less than or equal to the pivot point
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do j = j, istart, -1_pInt
added quicksort
2007-04-03 13:47:58 +05:30
if (a(1,j) <= x) exit
enddo
! find the first element on the left side greater than the pivot point
do i = i, iend
if (a(1,i) > x) exit
enddo
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if (i < j) then ! if the indexes do not cross, exchange values
do k = 1_pInt,d
added quicksort
2007-04-03 13:47:58 +05:30
tmp = a(k,i)
a(k,i) = a(k,j)
a(k,j) = tmp
enddo
!!!!! IMPORTANT !!!!! All subroutines were committed at once: - constitutive_pheno works - constitutive_dislo without twinning also works This release should serve as reference
2007-12-14 19:06:04 +05:30
else ! if they do cross, exchange left value with pivot and return with the partition index
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do k = 1_pInt,d
added quicksort
2007-04-03 13:47:58 +05:30
tmp = a(k,istart)
a(k,istart) = a(k,j)
a(k,j) = tmp
enddo
debugged quicksort algorithm slightly (now able to do multiple identical keys)
2007-04-04 14:19:48 +05:30
math_partition = j
added quicksort
2007-04-03 13:47:58 +05:30
return
endif
enddo
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_partition
added quicksort
2007-04-03 13:47:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief range of integers starting at one
!--------------------------------------------------------------------------------------------------
pure function math_range(N)
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
implicit none
integer(pInt), intent(in) :: N
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
integer(pInt), dimension(N) :: math_range
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:N) math_range(i) = i
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_range
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief second rank identity tensor of specified dimension
!--------------------------------------------------------------------------------------------------
pure function math_identity2nd(dimen)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
implicit none
- rearranged array with symmetry operations - new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously) - rendered some functions pure
2009-12-14 16:32:10 +05:30
integer(pInt), intent(in) :: dimen
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
real(pReal), dimension(dimen,dimen) :: math_identity2nd
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
math_identity2nd = 0.0_pReal
forall (i=1_pInt:dimen) math_identity2nd(i,i) = 1.0_pReal
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_identity2nd
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief permutation tensor e_ijk used for computing cross product of two tensors
include a new function epsilon_ijk, i.e., the permutation function (used to compute the cross product of two tensors)
2008-03-26 19:05:01 +05:30
! e_ijk = 1 if even permutation of ijk
! e_ijk = -1 if odd permutation of ijk
! e_ijk = 0 otherwise
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_civita(i,j,k)
include a new function epsilon_ijk, i.e., the permutation function (used to compute the cross product of two tensors)
2008-03-26 19:05:01 +05:30
implicit none
- rearranged array with symmetry operations - new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously) - rendered some functions pure
2009-12-14 16:32:10 +05:30
integer(pInt), intent(in) :: i,j,k
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
real(pReal) math_civita
include a new function epsilon_ijk, i.e., the permutation function (used to compute the cross product of two tensors)
2008-03-26 19:05:01 +05:30
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
math_civita = 0.0_pReal
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if (((i == 1_pInt).and.(j == 2_pInt).and.(k == 3_pInt)) .or. &
((i == 2_pInt).and.(j == 3_pInt).and.(k == 1_pInt)) .or. &
((i == 3_pInt).and.(j == 1_pInt).and.(k == 2_pInt))) math_civita = 1.0_pReal
if (((i == 1_pInt).and.(j == 3_pInt).and.(k == 2_pInt)) .or. &
((i == 2_pInt).and.(j == 1_pInt).and.(k == 3_pInt)) .or. &
((i == 3_pInt).and.(j == 2_pInt).and.(k == 1_pInt))) math_civita = -1.0_pReal
add a kronecker delta function
2008-03-27 17:24:34 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_civita
add a kronecker delta function
2008-03-27 17:24:34 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief kronecker delta function d_ij
add a kronecker delta function
2008-03-27 17:24:34 +05:30
! d_ij = 1 if i = j
! d_ij = 0 otherwise
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_delta(i,j)
add a kronecker delta function
2008-03-27 17:24:34 +05:30
implicit none
- rearranged array with symmetry operations - new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously) - rendered some functions pure
2009-12-14 16:32:10 +05:30
integer(pInt), intent (in) :: i,j
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_delta
add a kronecker delta function
2008-03-27 17:24:34 +05:30
math_delta = 0.0_pReal
if (i == j) math_delta = 1.0_pReal
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_delta
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
!> @brief symmetric fourth rank identity tensor of specified dimension
! from http://en.wikipedia.org/wiki/Tensor_derivative_(continuum_mechanics)#Derivative_of_a_second-order_tensor_with_respect_to_itself
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
pure function math_identity4th(dimen)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
implicit none
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
integer(pInt), intent(in) :: dimen
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j,k,l
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
real(pReal), dimension(dimen,dimen,dimen,dimen) :: math_identity4th
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:dimen,j=1_pInt:dimen,k=1_pInt:dimen,l=1_pInt:dimen) math_identity4th(i,j,k,l) = &
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
0.5_pReal*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_identity4th
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief vector product a x b
!--------------------------------------------------------------------------------------------------
pure function math_vectorproduct(A,B)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
implicit none
real(pReal), dimension(3), intent(in) :: A,B
real(pReal), dimension(3) :: math_vectorproduct
math_vectorproduct(1) = A(2)*B(3)-A(3)*B(2)
math_vectorproduct(2) = A(3)*B(1)-A(1)*B(3)
math_vectorproduct(3) = A(1)*B(2)-A(2)*B(1)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_vectorproduct
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief tensor product a \otimes b
!--------------------------------------------------------------------------------------------------
pure function math_tensorproduct(A,B)
added math_tensorproduct
2009-03-17 20:43:17 +05:30
implicit none
real(pReal), dimension(3), intent(in) :: A,B
real(pReal), dimension(3,3) :: math_tensorproduct
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_tensorproduct(i,j) = A(i)*B(j)
added math_tensorproduct
2009-03-17 20:43:17 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_tensorproduct
added math_tensorproduct
2009-03-17 20:43:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 3x3 = 1
!--------------------------------------------------------------------------------------------------
pure function math_mul3x3(A,B)
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
real(pReal), dimension(3), intent(in) :: A,B
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
real(pReal), dimension(3) :: C
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_mul3x3
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:3_pInt) C(i) = A(i)*B(i)
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
math_mul3x3 = sum(C)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul3x3
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 6x6 = 1
!--------------------------------------------------------------------------------------------------
pure function math_mul6x6(A,B)
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
real(pReal), dimension(6), intent(in) :: A,B
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
real(pReal), dimension(6) :: C
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_mul6x6
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt) C(i) = A(i)*B(i)
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
math_mul6x6 = sum(C)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul6x6
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 33x33 = 1 (double contraction --> ij * ij)
!--------------------------------------------------------------------------------------------------
pure function math_mul33xx33(A,B)
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
real(pReal), dimension(3,3), intent(in) :: A,B
real(pReal), dimension(3,3) :: C
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_mul33xx33
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) C(i,j) = A(i,j) * B(i,j)
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
math_mul33xx33 = sum(C)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul33xx33
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 3333x33 = 33 (double contraction --> ijkl *kl = ij)
!--------------------------------------------------------------------------------------------------
pure function math_mul3333xx33(A,B)
added matrix multiplication 3333x33 to math.f90 added some parameters for spectral method to numerics.f90 (tolerance) changed error message concerning spectral method in IO.f90 corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 21:34:44 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added matrix multiplication 3333x33 to math.f90 added some parameters for spectral method to numerics.f90 (tolerance) changed error message concerning spectral method in IO.f90 corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 21:34:44 +05:30
real(pReal), dimension(3,3,3,3), intent(in) :: A
real(pReal), dimension(3,3), intent(in) :: B
removed unused variables
2011-04-13 19:46:22 +05:30
real(pReal), dimension(3,3) :: math_mul3333xx33
added matrix multiplication 3333x33 to math.f90 added some parameters for spectral method to numerics.f90 (tolerance) changed error message concerning spectral method in IO.f90 corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 21:34:44 +05:30
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 19:38:07 +05:30
forall(i = 1_pInt:3_pInt,j = 1_pInt:3_pInt)&
math_mul3333xx33(i,j) = sum(A(i,j,1:3,1:3)*B(1:3,1:3))
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul3333xx33
added matrix multiplication 3333x33 to math.f90 added some parameters for spectral method to numerics.f90 (tolerance) changed error message concerning spectral method in IO.f90 corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 21:34:44 +05:30
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 3333x3333 = 3333 (ijkl *klmn = ijmn)
!--------------------------------------------------------------------------------------------------
pure function math_mul3333xx3333(A,B)
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
implicit none
integer(pInt) :: i,j,k,l
real(pReal), dimension(3,3,3,3), intent(in) :: A
real(pReal), dimension(3,3,3,3), intent(in) :: B
real(pReal), dimension(3,3,3,3) :: math_mul3333xx3333
do i = 1_pInt,3_pInt
do j = 1_pInt,3_pInt
do k = 1_pInt,3_pInt
do l = 1_pInt,3_pInt
math_mul3333xx3333(i,j,k,l) = sum(A(i,j,1:3,1:3)*B(1:3,1:3,k,l))
enddo; enddo; enddo; enddo
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul3333xx3333
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config math.f90: added math_mul3333xx3333… numerics.f90: to read in analyticJaco and Lp_frac
2012-02-23 01:41:09 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 33x33 = 33
!--------------------------------------------------------------------------------------------------
pure function math_mul33x33(A,B)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal), dimension(3,3), intent(in) :: A,B
real(pReal), dimension(3,3) :: math_mul33x33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_mul33x33(i,j) = &
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul33x33
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 66x66 = 66
!--------------------------------------------------------------------------------------------------
pure function math_mul66x66(A,B)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal), dimension(6,6), intent(in) :: A,B
real(pReal), dimension(6,6) :: math_mul66x66
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt) math_mul66x66(i,j) = &
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j) + &
A(i,4)*B(4,j) + A(i,5)*B(5,j) + A(i,6)*B(6,j)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul66x66
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 99x99 = 99
!--------------------------------------------------------------------------------------------------
pure function math_mul99x99(A,B)
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
use prec, only: pReal, pInt
new version of AL spectral solver (seems to work, but still experimental) new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files). polished and renamed the scripts for converging ang files renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-30 01:24:31 +05:30
implicit none
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
integer(pInt) i,j
real(pReal), dimension(9,9), intent(in) :: A,B
real(pReal), dimension(9,9) :: math_mul99x99
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:9_pInt,j=1_pInt:9_pInt) math_mul99x99(i,j) = &
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j) + &
A(i,4)*B(4,j) + A(i,5)*B(5,j) + A(i,6)*B(6,j) + &
A(i,7)*B(7,j) + A(i,8)*B(8,j) + A(i,9)*B(9,j)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul99x99
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 33x3 = 3
!--------------------------------------------------------------------------------------------------
pure function math_mul33x3(A,B)
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3), intent(in) :: B
real(pReal), dimension(3) :: math_mul33x3
corrected order of arguments for calling functions from python, small polishing in math.f90 (substituting manual summation by sum() )
2012-01-25 20:01:21 +05:30
forall (i=1_pInt:3_pInt) math_mul33x3(i) = sum(A(i,1:3)*B)
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul33x3
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication complex(33) x real(3) = complex(3)
!--------------------------------------------------------------------------------------------------
pure function math_mul33x3_complex(A,B)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
complex(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3), intent(in) :: B
complex(pReal), dimension(3) :: math_mul33x3_complex
removed implicit type castings
2012-02-10 16:54:53 +05:30
forall (i=1_pInt:3_pInt) math_mul33x3_complex(i) = sum(A(i,1:3)*cmplx(B,0.0_pReal,pReal))
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul33x3_complex
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief matrix multiplication 66x6 = 6
!--------------------------------------------------------------------------------------------------
pure function math_mul66x6(A,B)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal), dimension(6,6), intent(in) :: A
real(pReal), dimension(6), intent(in) :: B
real(pReal), dimension(6) :: math_mul66x6
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt) math_mul66x6(i) = &
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
A(i,1)*B(1) + A(i,2)*B(2) + A(i,3)*B(3) + &
A(i,4)*B(4) + A(i,5)*B(5) + A(i,6)*B(6)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_mul66x6
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief 3x3 matrix exponential up to series approximation order n (default 5)
!--------------------------------------------------------------------------------------------------
pure function math_exp33(A,n)
implicit none
integer(pInt) :: i,order
integer(pInt), intent(in), optional :: n
real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B,math_exp33
real(pReal) :: invfac
order = 5
if (present(n)) order = n
B = math_identity2nd(3) ! init
invfac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2
do i = 1_pInt,n
invfac = invfac/real(i) ! invfac = 1/i!
B = math_mul33x33(B,A)
math_exp33 = math_exp33 + invfac*B ! exp = SUM (A^i)/i!
enddo
end function math_exp33
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief random quaternion
!--------------------------------------------------------------------------------------------------
function math_qRnd()
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
implicit none
real(pReal), dimension(4) :: math_qRnd
real(pReal), dimension(3) :: rnd
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call halton(3_pInt,rnd)
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_qRnd(1) = cos(2.0_pReal*pi*rnd(1))*sqrt(rnd(3))
math_qRnd(2) = sin(2.0_pReal*pi*rnd(2))*sqrt(1.0_pReal-rnd(3))
math_qRnd(3) = cos(2.0_pReal*pi*rnd(2))*sqrt(1.0_pReal-rnd(3))
math_qRnd(4) = sin(2.0_pReal*pi*rnd(1))*sqrt(rnd(3))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qRnd
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion multiplication q1xq2 = q12
!--------------------------------------------------------------------------------------------------
pure function math_qMul(A,B)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: A, B
real(pReal), dimension(4) :: math_qMul
math_qMul(1) = A(1)*B(1) - A(2)*B(2) - A(3)*B(3) - A(4)*B(4)
math_qMul(2) = A(1)*B(2) + A(2)*B(1) + A(3)*B(4) - A(4)*B(3)
math_qMul(3) = A(1)*B(3) - A(2)*B(4) + A(3)*B(1) + A(4)*B(2)
math_qMul(4) = A(1)*B(4) + A(2)*B(3) - A(3)*B(2) + A(4)*B(1)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qMul
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion dotproduct
!--------------------------------------------------------------------------------------------------
pure function math_qDot(A,B)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: A, B
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_qDot
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_qDot = A(1)*B(1) + A(2)*B(2) + A(3)*B(3) + A(4)*B(4)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qDot
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion conjugation
!--------------------------------------------------------------------------------------------------
pure function math_qConj(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(4) :: math_qConj
math_qConj(1) = Q(1)
math_qConj(2:4) = -Q(2:4)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qConj
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion norm
!--------------------------------------------------------------------------------------------------
pure function math_qNorm(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_qNorm
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_qNorm = sqrt(max(0.0_pReal, Q(1)*Q(1) + Q(2)*Q(2) + Q(3)*Q(3) + Q(4)*Q(4)))
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qNorm
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion inversion
!--------------------------------------------------------------------------------------------------
pure function math_qInv(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(4) :: math_qInv
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: squareNorm
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_qInv = 0.0_pReal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
squareNorm = math_qDot(Q,Q)
if (squareNorm > tiny(squareNorm)) &
math_qInv = math_qConj(Q) / squareNorm
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qInv
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief action of a quaternion on a vector (rotate vector v with Q)
!--------------------------------------------------------------------------------------------------
pure function math_qRot(Q,v)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3), intent(in) :: v
real(pReal), dimension(3) :: math_qRot
real(pReal), dimension(4,4) :: T
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i, j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do i = 1_pInt,4_pInt
do j = 1_pInt,i
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
T(i,j) = Q(i) * Q(j)
enddo
enddo
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_qRot(1) = -v(1)*(T(3,3)+T(4,4)) + v(2)*(T(3,2)-T(4,1)) + v(3)*(T(4,2)+T(3,1))
math_qRot(2) = v(1)*(T(3,2)+T(4,1)) - v(2)*(T(2,2)+T(4,4)) + v(3)*(T(4,3)-T(2,1))
math_qRot(3) = v(1)*(T(4,2)-T(3,1)) + v(2)*(T(4,3)+T(2,1)) - v(3)*(T(2,2)+T(3,3))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_qRot = 2.0_pReal * math_qRot + v
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_qRot
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief transposition of a 33 matrix
!--------------------------------------------------------------------------------------------------
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
pure function math_transpose33(A)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
implicit none
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
real(pReal),dimension(3,3),intent(in) :: A
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal),dimension(3,3) :: math_transpose33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
forall(i=1_pInt:3_pInt, j=1_pInt:3_pInt) math_transpose33(i,j) = A(j,i)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_transpose33
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Cramer inversion of 33 matrix (function)
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
! direct Cramer inversion of matrix A.
! returns all zeroes if not possible, i.e. if det close to zero
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
pure function math_inv33(A)
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
implicit none
real(pReal),dimension(3,3),intent(in) :: A
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: DetA
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal),dimension(3,3) :: math_inv33
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_inv33 = 0.0_pReal
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
DetA = A(1,1) * (A(2,2) * A(3,3) - A(2,3) * A(3,2))&
- A(1,2) * (A(2,1) * A(3,3) - A(2,3) * A(3,1))&
+ A(1,3) * (A(2,1) * A(3,2) - A(2,2) * A(3,1))
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
Math inversion used to return zero (math_inv3x3) or error (math_invert3x3) for negative determinant. Now checking whether the absolute(!) value of the determinant is close to zero to avoid singularities, negative determinants are very well allowed.
2011-12-14 14:25:24 +05:30
if (abs(DetA) > tiny(abs(DetA))) then
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_inv33(1,1) = ( A(2,2) * A(3,3) - A(2,3) * A(3,2)) / DetA
math_inv33(2,1) = (-A(2,1) * A(3,3) + A(2,3) * A(3,1)) / DetA
math_inv33(3,1) = ( A(2,1) * A(3,2) - A(2,2) * A(3,1)) / DetA
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_inv33(1,2) = (-A(1,2) * A(3,3) + A(1,3) * A(3,2)) / DetA
math_inv33(2,2) = ( A(1,1) * A(3,3) - A(1,3) * A(3,1)) / DetA
math_inv33(3,2) = (-A(1,1) * A(3,2) + A(1,2) * A(3,1)) / DetA
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_inv33(1,3) = ( A(1,2) * A(2,3) - A(1,3) * A(2,2)) / DetA
math_inv33(2,3) = (-A(1,1) * A(2,3) + A(1,3) * A(2,1)) / DetA
math_inv33(3,3) = ( A(1,1) * A(2,2) - A(1,2) * A(2,1)) / DetA
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_inv33
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Cramer inversion of 33 matrix (subroutine)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure subroutine math_invert33(A, InvA, DetA, error)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
! Bestimmung der Determinanten und Inversen einer 33-Matrix
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! A = Matrix A
! InvA = Inverse of A
! DetA = Determinant of A
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
! error = logical
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
logical, intent(out) :: error
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
real(pReal),dimension(3,3),intent(in) :: A
real(pReal),dimension(3,3),intent(out) :: InvA
real(pReal), intent(out) :: DetA
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
DetA = A(1,1) * (A(2,2) * A(3,3) - A(2,3) * A(3,2))&
- A(1,2) * (A(2,1) * A(3,3) - A(2,3) * A(3,1))&
+ A(1,3) * (A(2,1) * A(3,2) - A(2,2) * A(3,1))
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
Math inversion used to return zero (math_inv3x3) or error (math_invert3x3) for negative determinant. Now checking whether the absolute(!) value of the determinant is close to zero to avoid singularities, negative determinants are very well allowed.
2011-12-14 14:25:24 +05:30
if (abs(DetA) <= tiny(abs(DetA))) then
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
error = .true.
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
else
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
InvA(1,1) = ( A(2,2) * A(3,3) - A(2,3) * A(3,2)) / DetA
InvA(2,1) = (-A(2,1) * A(3,3) + A(2,3) * A(3,1)) / DetA
InvA(3,1) = ( A(2,1) * A(3,2) - A(2,2) * A(3,1)) / DetA
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
InvA(1,2) = (-A(1,2) * A(3,3) + A(1,3) * A(3,2)) / DetA
InvA(2,2) = ( A(1,1) * A(3,3) - A(1,3) * A(3,1)) / DetA
InvA(3,2) = (-A(1,1) * A(3,2) + A(1,2) * A(3,1)) / DetA
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
InvA(1,3) = ( A(1,2) * A(2,3) - A(1,3) * A(2,2)) / DetA
InvA(2,3) = (-A(1,1) * A(2,3) + A(1,3) * A(2,1)) / DetA
InvA(3,3) = ( A(1,1) * A(2,2) - A(1,2) * A(2,1)) / DetA
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
error = .false.
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine math_invert33
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Inversion of symmetriced 3x3x3x3 tensor.
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function math_invSym3333(A)
use IO, only: IO_error
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
implicit none
real(pReal),dimension(3,3,3,3) :: math_invSym3333
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
real(pReal),dimension(3,3,3,3),intent(in) :: A
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
integer(pInt) :: ierr
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
integer(pInt), dimension(6) :: ipiv6
real(pReal), dimension(6,6) :: temp66_Real
real(pReal), dimension(6) :: work6
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
temp66_real = math_Mandel3333to66(A)
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing) updated preprocessing for documentation to handle precision correctly
2012-08-31 01:56:28 +05:30
#if(FLOAT==8)
call dgetrf(6,6,temp66_real,6,ipiv6,ierr)
call dgetri(6,temp66_real,6,ipiv6,work6,6,ierr)
#elif(FLOAT==4)
call sgetrf(6,6,temp66_real,6,ipiv6,ierr)
call sgetri(6,temp66_real,6,ipiv6,work6,6,ierr)
#endif
if (ierr == 0_pInt) then
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
math_invSym3333 = math_Mandel66to3333(temp66_real)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
else
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
call IO_error(400_pInt, ext_msg = 'math_invSym3333')
endif
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_invSym3333
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
!> @brief invert matrix of arbitrary dimension
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
subroutine math_invert(myDim,A, InvA, error)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
integer(pInt), intent(in) :: myDim
real(pReal), dimension(myDim,myDim), intent(in) :: A
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
integer(pInt) :: ierr
integer(pInt), dimension(myDim) :: ipiv
real(pReal), dimension(myDim) :: work
real(pReal), dimension(myDim,myDim), intent(out) :: invA
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
logical, intent(out) :: error
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
invA = A
#if(FLOAT==8)
call dgetrf(myDim,myDim,invA,myDim,ipiv,ierr)
call dgetri(myDim,InvA,myDim,ipiv,work,myDim,ierr)
#elif(FLOAT==4)
call sgetrf(myDim,myDim,invA,myDim,ipiv,ierr)
call sgetri(myDim,InvA,myDim,ipiv,work,myDim,ierr)
#endif
if (ierr == 0_pInt) then
error = .false.
else
error = .true.
endif
end subroutine math_invert
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief symmetrize a 33 matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function math_symmetric33(m)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(3,3) :: math_symmetric33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m
integer(pInt) :: i,j
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_symmetric33(i,j) = 0.5_pReal * (m(i,j) + m(j,i))
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_symmetric33
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief symmetrize a 66 matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_symmetric66(m)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal), dimension(6,6), intent(in) :: m
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(6,6) :: math_symmetric66
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt) math_symmetric66(i,j) = 0.5_pReal * (m(i,j) + m(j,i))
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_symmetric66
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief skew part of a 33 matrix
!--------------------------------------------------------------------------------------------------
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
pure function math_skew33(m)
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
implicit none
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(3,3) :: math_skew33
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
real(pReal), dimension(3,3), intent(in) :: m
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_skew33(i,j) = m(i,j) - 0.5_pReal * (m(i,j) + m(j,i))
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_skew33
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief deviatoric part of a 33 matrix
!--------------------------------------------------------------------------------------------------
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
pure function math_deviatoric33(m)
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
implicit none
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
real(pReal), dimension(3,3) :: math_deviatoric33
real(pReal), dimension(3,3), intent(in) :: m
integer(pInt) :: i
real(pReal) :: hydrostatic
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
math_deviatoric33 = m
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
hydrostatic = (m(1,1) + m(2,2) + m(3,3)) / 3.0_pReal
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
forall (i=1_pInt:3_pInt) math_deviatoric33(i,i) = m(i,i) - hydrostatic
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_deviatoric33
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief equivalent scalar quantity of a full strain tensor
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_equivStrain33(m)
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
implicit none
real(pReal), dimension(3,3), intent(in) :: m
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_equivStrain33,e11,e22,e33,s12,s23,s31
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
e11 = (2.0_pReal*m(1,1)-m(2,2)-m(3,3))/3.0_pReal
e22 = (2.0_pReal*m(2,2)-m(3,3)-m(1,1))/3.0_pReal
e33 = (2.0_pReal*m(3,3)-m(1,1)-m(2,2))/3.0_pReal
s12 = 2.0_pReal*m(1,2)
s23 = 2.0_pReal*m(2,3)
s31 = 2.0_pReal*m(3,1)
math_equivStrain33 = 2.0_pReal*(1.50_pReal*(e11**2.0_pReal+e22**2.0_pReal+e33**2.0_pReal) + &
0.75_pReal*(s12**2.0_pReal+s23**2.0_pReal+s31**2.0_pReal))**(0.5_pReal)/3.0_pReal
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_equivStrain33
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief trace of a 33 matrix
!--------------------------------------------------------------------------------------------------
pure function math_trace33(m)
implicit none
real(pReal), dimension(3,3), intent(in) :: m
real(pReal) :: math_trace33
math_trace33 = m(1,1) + m(2,2) + m(3,3)
end function math_trace33
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief determinant of a 33 matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_det33(m)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal) :: math_det33
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_det33 = m(1,1)*(m(2,2)*m(3,3)-m(2,3)*m(3,2)) &
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
-m(1,2)*(m(2,1)*m(3,3)-m(2,3)*m(3,1)) &
+m(1,3)*(m(2,1)*m(3,2)-m(2,2)*m(3,1))
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_det33
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief norm of a 33 matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_norm33(m)
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
implicit none
real(pReal), dimension(3,3), intent(in) :: m
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_norm33
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
math_norm33 = sqrt(sum(m**2.0_pReal))
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
fixed error in _identity (wrong delta-function) added _exp33 for matrix exponential added trace33 for matrix trace
2012-10-12 23:24:20 +05:30
!> @brief euclidian norm of a 3 vector
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_norm3(v)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
implicit none
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
real(pReal), dimension(3), intent(in) :: v
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_norm3
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_norm3 = sqrt(v(1)*v(1) + v(2)*v(2) + v(3)*v(3))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_norm3
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert 33 matrix into vector 9
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Plain33to9(m33)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m33
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(9) :: math_Plain33to9
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:9_pInt) math_Plain33to9(i) = m33(mapPlain(1,i),mapPlain(2,i))
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Plain33to9
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert Plain 9 back to 33 matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Plain9to33(v9)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(9), intent(in) :: v9
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3,3) :: math_Plain9to33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:9_pInt) math_Plain9to33(mapPlain(1,i),mapPlain(2,i)) = v9(i)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Plain9to33
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert symmetric 33 matrix into Mandel vector 6
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Mandel33to6(m33)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m33
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
real(pReal), dimension(6) :: math_Mandel33to6
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt) math_Mandel33to6(i) = nrmMandel(i)*m33(mapMandel(1,i),mapMandel(2,i))
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Mandel33to6
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert Mandel 6 back to symmetric 33 matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Mandel6to33(v6)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(6), intent(in) :: v6
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
real(pReal), dimension(3,3) :: math_Mandel6to33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt)
polishing of Mandel notation
2007-03-28 13:50:50 +05:30
math_Mandel6to33(mapMandel(1,i),mapMandel(2,i)) = invnrmMandel(i)*v6(i)
math_Mandel6to33(mapMandel(2,i),mapMandel(1,i)) = invnrmMandel(i)*v6(i)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
end forall
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Mandel6to33
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert 3333 tensor into plain matrix 99
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Plain3333to99(m3333)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3,3,3), intent(in) :: m3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(9,9) :: math_Plain3333to99
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:9_pInt,j=1_pInt:9_pInt) math_Plain3333to99(i,j) = &
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
m3333(mapPlain(1,i),mapPlain(2,i),mapPlain(1,j),mapPlain(2,j))
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Plain3333to99
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief plain matrix 99 into 3333 tensor
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Plain99to3333(m99)
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
real(pReal), dimension(9,9), intent(in) :: m99
real(pReal), dimension(3,3,3,3) :: math_Plain99to3333
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:9_pInt,j=1_pInt:9_pInt) math_Plain99to3333(mapPlain(1,i),mapPlain(2,i),&
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
mapPlain(1,j),mapPlain(2,j)) = m99(i,j)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Plain99to3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert Mandel matrix 66 into Plain matrix 66
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Mandel66toPlain66(m66)
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
implicit none
real(pReal), dimension(6,6), intent(in) :: m66
real(pReal), dimension(6,6) :: math_Mandel66toPlain66
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt) &
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
math_Mandel66toPlain66(i,j) = invnrmMandel(i) * invnrmMandel(j) * m66(i,j)
return
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert Plain matrix 66 into Mandel matrix 66
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Plain66toMandel66(m66)
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
implicit none
real(pReal), dimension(6,6), intent(in) :: m66
real(pReal), dimension(6,6) :: math_Plain66toMandel66
integer(pInt) i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt) &
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
math_Plain66toMandel66(i,j) = nrmMandel(i) * nrmMandel(j) * m66(i,j)
return
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function
* boundary condition masking changed * damper initialized with one * inversion of Mandelized stiffness tensor does not work, have to use plain tensor * new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 21:27:39 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert symmetric 3333 tensor into Mandel matrix 66
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Mandel3333to66(m3333)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3,3,3), intent(in) :: m3333
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
real(pReal), dimension(6,6) :: math_Mandel3333to66
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt) math_Mandel3333to66(i,j) = &
polishing of Mandel notation
2007-03-28 13:50:50 +05:30
nrmMandel(i)*nrmMandel(j)*m3333(mapMandel(1,i),mapMandel(2,i),mapMandel(1,j),mapMandel(2,j))
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Mandel3333to66
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert Mandel matrix 66 back to symmetric 3333 tensor
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Mandel66to3333(m66)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(6,6), intent(in) :: m66
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3,3,3,3) :: math_Mandel66to3333
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
math_Mandel66to3333(mapMandel(1,i),mapMandel(2,i),mapMandel(1,j),mapMandel(2,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
math_Mandel66to3333(mapMandel(2,i),mapMandel(1,i),mapMandel(1,j),mapMandel(2,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
math_Mandel66to3333(mapMandel(1,i),mapMandel(2,i),mapMandel(2,j),mapMandel(1,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
math_Mandel66to3333(mapMandel(2,i),mapMandel(1,i),mapMandel(2,j),mapMandel(1,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
end forall
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Mandel66to3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief convert Voigt matrix 66 back to symmetric 3333 tensor
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_Voigt66to3333(m66)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(6,6), intent(in) :: m66
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3,3,3,3) :: math_Voigt66to3333
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
forall (i=1_pInt:6_pInt,j=1_pInt:6_pInt)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
math_Voigt66to3333(mapVoigt(1,i),mapVoigt(2,i),mapVoigt(1,j),mapVoigt(2,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
math_Voigt66to3333(mapVoigt(2,i),mapVoigt(1,i),mapVoigt(1,j),mapVoigt(2,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
math_Voigt66to3333(mapVoigt(1,i),mapVoigt(2,i),mapVoigt(2,j),mapVoigt(1,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
math_Voigt66to3333(mapVoigt(2,i),mapVoigt(1,i),mapVoigt(2,j),mapVoigt(1,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
end forall
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_Voigt66to3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Euler angles (in radians) from rotation matrix
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_RtoEuler(R)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension (3,3), intent(in) :: R
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_RtoEuler
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
real(pReal) :: sqhkl, squvw, sqhk, myVal
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
sqhkl=sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3)+R(3,3)*R(3,3))
squvw=sqrt(R(1,1)*R(1,1)+R(2,1)*R(2,1)+R(3,1)*R(3,1))
sqhk=sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3))
! calculate PHI
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
myVal=R(3,3)/sqhkl
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
if(myVal > 1.0_pReal) myVal = 1.0_pReal
if(myVal < -1.0_pReal) myVal = -1.0_pReal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
math_RtoEuler(2) = acos(myVal)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
if(math_RtoEuler(2) < 1.0e-8_pReal) then
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! calculate phi2
math_RtoEuler(3) = 0.0_pReal
! calculate phi1
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
myVal=R(1,1)/squvw
if(myVal > 1.0_pReal) myVal = 1.0_pReal
if(myVal < -1.0_pReal) myVal = -1.0_pReal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
math_RtoEuler(1) = acos(myVal)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
else
! calculate phi2
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
myVal=R(2,3)/sqhk
if(myVal > 1.0_pReal) myVal = 1.0_pReal
if(myVal < -1.0_pReal) myVal = -1.0_pReal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
math_RtoEuler(3) = acos(myVal)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3)
! calculate phi1
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
myVal=-R(3,2)/sin(math_RtoEuler(2))
if(myVal > 1.0_pReal) myVal = 1.0_pReal
if(myVal < -1.0_pReal) myVal = -1.0_pReal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
math_RtoEuler(1) = acos(myVal)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
end if
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_RtoEuler
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion (w+ix+jy+kz) from orientation matrix
!--------------------------------------------------------------------------------------------------
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! math adopted from http://code.google.com/p/mtex/source/browse/trunk/geometry/geometry_tools/mat2quat.m
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_RtoQuaternion(R)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
implicit none
real(pReal), dimension (3,3), intent(in) :: R
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), dimension(4) :: absQ, math_RtoQuaternion
real(pReal) :: max_absQ
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
integer, dimension(1) :: largest !no pInt, maxloc returns integer default
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
absQ(1) = 1.0_pReal+R(1,1)+R(2,2)+R(3,3)
absQ(2) = 1.0_pReal+R(1,1)-R(2,2)-R(3,3)
absQ(3) = 1.0_pReal-R(1,1)+R(2,2)-R(3,3)
absQ(4) = 1.0_pReal-R(1,1)-R(2,2)+R(3,3)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
math_RtoQuaternion = 0.0_pReal
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
largest = maxloc(absQ)
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
max_absQ=0.5_pReal * sqrt(absQ(largest(1)))
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
select case(largest(1))
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (1_pInt)
!1----------------------------------
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_RtoQuaternion(2) = R(2,3)-R(3,2)
math_RtoQuaternion(3) = R(3,1)-R(1,3)
math_RtoQuaternion(4) = R(1,2)-R(2,1)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (2_pInt)
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_RtoQuaternion(1) = R(2,3)-R(3,2)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
!2----------------------------------
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_RtoQuaternion(3) = R(1,2)+R(2,1)
math_RtoQuaternion(4) = R(3,1)+R(1,3)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (3_pInt)
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_RtoQuaternion(1) = R(3,1)-R(1,3)
math_RtoQuaternion(2) = R(1,2)+R(2,1)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
!3----------------------------------
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_RtoQuaternion(4) = R(2,3)+R(3,2)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (4_pInt)
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_RtoQuaternion (1) = R(1,2)-R(2,1)
math_RtoQuaternion (2) = R(3,1)+R(1,3)
math_RtoQuaternion (3) = R(3,2)+R(2,3)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
!4----------------------------------
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
end select
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
math_RtoQuaternion = math_RtoQuaternion*0.25_pReal/max_absQ
math_RtoQuaternion(largest(1)) = max_absQ
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_RtoQuaternion
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief rotation matrix from Euler angles (in radians)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_EulerToR(Euler)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(3), intent(in) :: Euler
real(pReal), dimension(3,3) :: math_EulerToR
real(pReal) c1, c, c2, s1, s, s2
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
C1 = cos(Euler(1))
C = cos(Euler(2))
C2 = cos(Euler(3))
S1 = sin(Euler(1))
S = sin(Euler(2))
S2 = sin(Euler(3))
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_EulerToR(1,1)=C1*C2-S1*S2*C
math_EulerToR(1,2)=S1*C2+C1*S2*C
math_EulerToR(1,3)=S2*S
math_EulerToR(2,1)=-C1*S2-S1*C2*C
math_EulerToR(2,2)=-S1*S2+C1*C2*C
math_EulerToR(2,3)=C2*S
math_EulerToR(3,1)=S1*S
math_EulerToR(3,2)=-C1*S
math_EulerToR(3,3)=C
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_EulerToR
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion (w+ix+jy+kz) from 3-1-3 Euler angles (in radians)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_EulerToQuaternion(eulerangles)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(3), intent(in) :: eulerangles
real(pReal), dimension(4) :: math_EulerToQuaternion
real(pReal), dimension(3) :: halfangles
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: c, s
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
halfangles = 0.5_pReal * eulerangles
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
c = cos(halfangles(2))
s = sin(halfangles(2))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_EulerToQuaternion(1) = cos(halfangles(1)+halfangles(3)) * c
math_EulerToQuaternion(2) = cos(halfangles(1)-halfangles(3)) * s
math_EulerToQuaternion(3) = sin(halfangles(1)-halfangles(3)) * s
math_EulerToQuaternion(4) = sin(halfangles(1)+halfangles(3)) * c
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_EulerToQuaternion
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief rotation matrix from axis and angle (in radians)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_AxisAngleToR(axis,omega)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega
real(pReal), dimension(3) :: axisNrm
real(pReal), dimension(3,3) :: math_AxisAngleToR
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: norm,s,c,c1
integer(pInt) :: i
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
norm = sqrt(math_mul3x3(axis,axis))
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if (norm > 1.0e-8_pReal) then ! non-zero rotation
corrected buggy calculation of Schmid matrix for twins introduced in rev1809. (stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!) additional polishing.
2012-11-23 22:32:50 +05:30
axisNrm = axis/norm ! normalize axis to be sure
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
s = sin(omega)
c = cos(omega)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
c1 = 1.0_pReal - c
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! formula for active rotation taken from http://mathworld.wolfram.com/RodriguesRotationFormula.html
! below is transposed form to get passive rotation
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
math_AxisAngleToR(1,1) = c + c1*axisNrm(1)**2.0_pReal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
math_AxisAngleToR(2,1) = -s*axisNrm(3) + c1*axisNrm(1)*axisNrm(2)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_AxisAngleToR(3,1) = s*axisNrm(2) + c1*axisNrm(1)*axisNrm(3)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_AxisAngleToR(1,2) = s*axisNrm(3) + c1*axisNrm(2)*axisNrm(1)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
math_AxisAngleToR(2,2) = c + c1*axisNrm(2)**2.0_pReal
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_AxisAngleToR(3,2) = -s*axisNrm(1) + c1*axisNrm(2)*axisNrm(3)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_AxisAngleToR(1,3) = -s*axisNrm(2) + c1*axisNrm(3)*axisNrm(1)
math_AxisAngleToR(2,3) = s*axisNrm(1) + c1*axisNrm(3)*axisNrm(2)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
math_AxisAngleToR(3,3) = c + c1*axisNrm(3)**2.0_pReal
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
else
math_AxisAngleToR = math_I3
endif
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_AxisAngleToR
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief quaternion (w+ix+jy+kz) from axis and angle (in radians)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_AxisAngleToQuaternion(axis,omega)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
implicit none
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega
real(pReal), dimension(3) :: axisNrm
real(pReal), dimension(4) :: math_AxisAngleToQuaternion
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: s,c,norm
integer(pInt) :: i
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
norm = sqrt(math_mul3x3(axis,axis))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (norm > 1.0e-8_pReal) then ! non-zero rotation
corrected buggy calculation of Schmid matrix for twins introduced in rev1809. (stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!) additional polishing.
2012-11-23 22:32:50 +05:30
axisNrm = axis/norm ! normalize axis to be sure
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! formula taken from http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
corrected buggy calculation of Schmid matrix for twins introduced in rev1809. (stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!) additional polishing.
2012-11-23 22:32:50 +05:30
s = sin(0.5_pReal*omega)
c = cos(0.5_pReal*omega)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_AxisAngleToQuaternion(1) = c
math_AxisAngleToQuaternion(2:4) = s * axisNrm(1:3)
else
math_AxisAngleToQuaternion = (/1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal/) ! no rotation
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_AxisAngleToQuaternion
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief orientation matrix from quaternion (w+ix+jy+kz)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_QuaternionToR(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3,3) :: math_QuaternionToR, T,S
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i, j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i = 1_pInt:3_pInt, j = 1_pInt:3_pInt) &
T(i,j) = Q(i+1_pInt) * Q(j+1_pInt)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
S = reshape( (/0.0_pReal, Q(4), -Q(3), &
-Q(4),0.0_pReal, +Q(2), &
Q(3), -Q(2),0.0_pReal/),(/3,3/)) ! notation is transposed!
math_QuaternionToR = (2.0_pReal * Q(1)*Q(1) - 1.0_pReal) * math_I3 + &
2.0_pReal * T - &
2.0_pReal * Q(1) * S
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_QuaternionToR
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief 3-1-3 Euler angles (in radians) from quaternion (w+ix+jy+kz)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_QuaternionToEuler(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3) :: math_QuaternionToEuler
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: acos_arg
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_QuaternionToEuler(2) = acos(1.0_pReal-2.0_pReal*(Q(2)*Q(2)+Q(3)*Q(3)))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
if (abs(math_QuaternionToEuler(2)) < 1.0e-3_pReal) then
now the maybe not perfect quartenions caused trouble in math_QuaternionToEuler
2011-03-03 19:53:39 +05:30
acos_arg=Q(1)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
if(acos_arg > 1.0_pReal)acos_arg = 1.0_pReal
if(acos_arg < -1.0_pReal)acos_arg = -1.0_pReal
now the maybe not perfect quartenions caused trouble in math_QuaternionToEuler
2011-03-03 19:53:39 +05:30
math_QuaternionToEuler(1) = 2.0_pReal*acos(acos_arg)
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_QuaternionToEuler(3) = 0.0_pReal
else
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_QuaternionToEuler(1) = atan2(Q(1)*Q(3)+Q(2)*Q(4), Q(1)*Q(2)-Q(3)*Q(4))
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
if (math_QuaternionToEuler(1) < 0.0_pReal) &
math_QuaternionToEuler(1) = math_QuaternionToEuler(1) + 2.0_pReal * pi
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_QuaternionToEuler(3) = atan2(-Q(1)*Q(3)+Q(2)*Q(4), Q(1)*Q(2)+Q(3)*Q(4))
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
if (math_QuaternionToEuler(3) < 0.0_pReal) &
math_QuaternionToEuler(3) = math_QuaternionToEuler(3) + 2.0_pReal * pi
endif
ensure positive eulerangles in math_QuaternionToEuler
2010-03-19 21:41:53 +05:30
if (math_QuaternionToEuler(2) < 0.0_pReal) &
math_QuaternionToEuler(2) = math_QuaternionToEuler(2) + pi
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_QuaternionToEuler
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief axis-angle (x, y, z, ang in radians) from quaternion (w+ix+jy+kz)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_QuaternionToAxisAngle(Q)
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: halfAngle, sinHalfAngle
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
real(pReal), dimension(4) :: math_QuaternionToAxisAngle
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
halfAngle = acos(max(-1.0_pReal, min(1.0_pReal, Q(1)))) ! limit to [-1,1] --> 0 to 180 deg
sinHalfAngle = sin(halfAngle)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (sinHalfAngle <= 1.0e-4_pReal) then ! very small rotation angle?
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
math_QuaternionToAxisAngle = 0.0_pReal
else
math_QuaternionToAxisAngle(1:3) = Q(2:4)/sinHalfAngle
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_QuaternionToAxisAngle(4) = halfAngle*2.0_pReal
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
endif
corrected makefile, now working again without giving standard values explicitly. did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 15:41:32 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_QuaternionToAxisAngle
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Rodrigues vector (x, y, z) from unit quaternion (w+ix+jy+kz)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_QuaternionToRodrig(Q)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
use prec, only: DAMASK_NaN
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3) :: math_QuaternionToRodrig
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (Q(1) /= 0.0_pReal) then ! unless rotation by 180 deg
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
math_QuaternionToRodrig = Q(2:4)/Q(1)
else
corrected calculation of NaN, renamed variable to 'DAMASK_NaN' !incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 14:51:38 +05:30
math_QuaternionToRodrig = DAMASK_NaN ! NaN since Rodrig is unbound for 180 deg...
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_QuaternionToRodrig
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief misorientation angle between two sets of Euler angles
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_EulerMisorientation(EulerA,EulerB)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3), intent(in) :: EulerA,EulerB
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3,3) :: r
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_EulerMisorientation, tr
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
r = math_mul33x33(math_EulerToR(EulerB),transpose(math_EulerToR(EulerA)))
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
tr = (r(1,1)+r(2,2)+r(3,3)-1.0_pReal)*0.4999999_pReal
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
math_EulerMisorientation = abs(0.5_pReal*pi-asin(tr))
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_EulerMisorientation
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief figures whether unit quat falls into stereographic standard triangle
!--------------------------------------------------------------------------------------------------
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
pure function math_QuaternionInSST(Q, symmetryType)
implicit none
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!*** input variables
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
real(pReal), dimension(4), intent(in) :: Q ! orientation
integer(pInt), intent(in) :: symmetryType ! Type of crystal symmetry; 1:cubic, 2:hexagonal
!*** output variables
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
logical :: math_QuaternionInSST
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
!*** local variables
real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
Rodrig = math_QuaternionToRodrig(Q)
check for NaN in math_QuaternionInSST
2012-05-11 13:07:32 +05:30
if (any(Rodrig/=Rodrig)) then
math_QuaternionInSST = .false.
else
select case (symmetryType)
case (1_pInt)
math_QuaternionInSST = Rodrig(1) > Rodrig(2) .and. &
Rodrig(2) > Rodrig(3) .and. &
Rodrig(3) > 0.0_pReal
case (2_pInt)
math_QuaternionInSST = Rodrig(1) > sqrt(3.0_pReal)*Rodrig(2) .and. &
Rodrig(2) > 0.0_pReal .and. &
Rodrig(3) > 0.0_pReal
case default
math_QuaternionInSST = .true.
end select
endif
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_QuaternionInSST
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates the disorientation for 2 unit quaternions
!--------------------------------------------------------------------------------------------------
fixed bugs in math_quaternionDisorientation though running, there still seem to be some problems with the quaternion functions, since crystallite_grainRotation gives some dubious results!
2010-05-04 21:32:05 +05:30
function math_QuaternionDisorientation(Q1, Q2, symmetryType)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
fixed bugs in math_quaternionDisorientation though running, there still seem to be some problems with the quaternion functions, since crystallite_grainRotation gives some dubious results!
2010-05-04 21:32:05 +05:30
use IO, only: IO_error
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
implicit none
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!*** input variables
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
real(pReal), dimension(4), intent(in) :: Q1, & ! 1st orientation
Q2 ! 2nd orientation
integer(pInt), intent(in) :: symmetryType ! Type of crystal symmetry; 1:cubic, 2:hexagonal
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
!*** output variables
real(pReal), dimension(4) :: math_QuaternionDisorientation ! disorientation
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
!*** local variables
real(pReal), dimension(4) :: dQ,dQsymA,mis
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j,k,s
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
dQ = math_qMul(math_qConj(Q1),Q2)
math_QuaternionDisorientation = dQ
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
select case (symmetryType)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (0_pInt)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (math_QuaternionDisorientation(1) < 0.0_pReal) &
math_QuaternionDisorientation = -math_QuaternionDisorientation ! keep omega within 0 to 180 deg
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (1_pInt,2_pInt)
s = sum(math_NsymOperations(1:symmetryType-1_pInt))
do i = 1_pInt,2_pInt
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
dQ = math_qConj(dQ) ! switch order of "from -- to"
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do j = 1_pInt,math_NsymOperations(symmetryType) ! run through first crystal's symmetries
dQsymA = math_qMul(math_symOperations(1:4,s+j),dQ) ! apply sym
do k = 1_pInt,math_NsymOperations(symmetryType) ! run through 2nd crystal's symmetries
mis = math_qMul(dQsymA,math_symOperations(1:4,s+k)) ! apply sym
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (mis(1) < 0.0_pReal) & ! want positive angle
mis = -mis
if (mis(1)-math_QuaternionDisorientation(1) > -1e-8_pReal .and. &
math_QuaternionInSST(mis,symmetryType)) &
math_QuaternionDisorientation = mis ! found better one
enddo; enddo; enddo
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
case default
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(450_pInt,symmetryType) ! complain about unknown symmetry
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
end select
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_QuaternionDisorientation
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief draw a random sample from Euler space
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function math_sampleRandomOri()
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_sampleRandomOri, rnd
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call halton(3_pInt,rnd)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
math_sampleRandomOri(1) = rnd(1)*2.0_pReal*pi
math_sampleRandomOri(2) = acos(2.0_pReal*rnd(2)-1.0_pReal)
math_sampleRandomOri(3) = rnd(3)*2.0_pReal*pi
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_sampleRandomOri
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief draw a random sample from Gauss component with noise (in radians) half-width
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function math_sampleGaussOri(center,noise)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_sampleGaussOri, center, disturb
real(pReal), dimension(3), parameter :: origin = (/0.0_pReal,0.0_pReal,0.0_pReal/)
real(pReal), dimension(5) :: rnd
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: noise,scatter,cosScatter
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
integer(pInt) i
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if (noise==0.0_pReal) then
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
math_sampleGaussOri = center
return
endif
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! Helming uses different distribution with Bessel functions
! therefore the gauss scatter width has to be scaled differently
scatter = 0.95_pReal * noise
cosScatter = cos(scatter)
do
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call halton(5_pInt,rnd)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
forall (i=1_pInt:3_pInt) rnd(i) = 2.0_pReal*rnd(i)-1.0_pReal ! expand 1:3 to range [-1,+1]
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
disturb(1) = scatter * rnd(1) ! phi1
disturb(2) = sign(1.0_pReal,rnd(2))*acos(cosScatter+(1.0_pReal-cosScatter)*rnd(4)) ! Phi
disturb(3) = scatter * rnd(2) ! phi2
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
if (rnd(5) <= exp(-1.0_pReal*(math_EulerMisorientation(origin,disturb)/scatter)**2_pReal)) exit
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
enddo
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
math_sampleGaussOri = math_RtoEuler(math_mul33x33(math_EulerToR(disturb),math_EulerToR(center)))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_sampleGaussOri
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief draw a random sample from Fiber component with noise (in radians)
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function math_sampleFiberOri(alpha,beta,noise)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_sampleFiberOri, fiberInC,fiberInS,axis
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
real(pReal), dimension(2), intent(in) :: alpha,beta
real(pReal), dimension(6) :: rnd
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3,3) :: oRot,fRot,pRot
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: noise, scatter, cos2Scatter, angle
integer(pInt), dimension(2,3), parameter :: rotMap = reshape((/2_pInt,3_pInt,&
3_pInt,1_pInt,&
1_pInt,2_pInt/),(/2,3/))
integer(pInt) :: i
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! Helming uses different distribution with Bessel functions
! therefore the gauss scatter width has to be scaled differently
scatter = 0.95_pReal * noise
cos2Scatter = cos(2.0_pReal*scatter)
! fiber axis in crystal coordinate system
fiberInC(1)=sin(alpha(1))*cos(alpha(2))
fiberInC(2)=sin(alpha(1))*sin(alpha(2))
fiberInC(3)=cos(alpha(1))
! fiber axis in sample coordinate system
fiberInS(1)=sin(beta(1))*cos(beta(2))
fiberInS(2)=sin(beta(1))*sin(beta(2))
fiberInS(3)=cos(beta(1))
! ---# rotation matrix from sample to crystal system #---
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
angle = -acos(dot_product(fiberInC,fiberInS))
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(angle /= 0.0_pReal) then
! rotation axis between sample and crystal system (cross product)
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
forall(i=1_pInt:3_pInt) axis(i) = fiberInC(rotMap(1,i))*fiberInS(rotMap(2,i))-fiberInC(rotMap(2,i))*fiberInS(rotMap(1,i))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
oRot = math_AxisAngleToR(math_vectorproduct(fiberInC,fiberInS),angle)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
else
oRot = math_I3
end if
! ---# rotation matrix about fiber axis (random angle) #---
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
do
call halton(6_pInt,rnd)
fRot = math_AxisAngleToR(fiberInS,rnd(1)*2.0_pReal*pi)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! ---# rotation about random axis perpend to fiber #---
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
! random axis pependicular to fiber axis
axis(1:2) = rnd(2:3)
if (fiberInS(3) /= 0.0_pReal) then
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
axis(3)=-(axis(1)*fiberInS(1)+axis(2)*fiberInS(2))/fiberInS(3)
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
else if(fiberInS(2) /= 0.0_pReal) then
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
axis(3)=axis(2)
axis(2)=-(axis(1)*fiberInS(1)+axis(3)*fiberInS(3))/fiberInS(2)
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
else if(fiberInS(1) /= 0.0_pReal) then
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
axis(3)=axis(1)
axis(1)=-(axis(2)*fiberInS(2)+axis(3)*fiberInS(3))/fiberInS(1)
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
end if
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
! scattered rotation angle
if (noise > 0.0_pReal) then
angle = acos(cos2Scatter+(1.0_pReal-cos2Scatter)*rnd(4))
if (rnd(5) <= exp(-1.0_pReal*(angle/scatter)**2.0_pReal)) exit
else
angle = 0.0_pReal
exit
end if
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
enddo
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
if (rnd(6) <= 0.5) angle = -angle
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
pRot = math_AxisAngleToR(axis,angle)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! ---# apply the three rotations #---
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
math_sampleFiberOri = math_RtoEuler(math_mul33x33(pRot,math_mul33x33(fRot,oRot)))
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_sampleFiberOri
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief symmetric Euler angles for given symmetry string 'triclinic' or '', 'monoclinic', 'orthotropic'
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_symmetricEulers(sym,Euler)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
implicit none
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
integer(pInt), intent(in) :: sym
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3), intent(in) :: Euler
real(pReal), dimension(3,3) :: math_symmetricEulers
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
math_symmetricEulers(1,1) = pi+Euler(1)
math_symmetricEulers(2,1) = Euler(2)
math_symmetricEulers(3,1) = Euler(3)
math_symmetricEulers(1,2) = pi-Euler(1)
math_symmetricEulers(2,2) = pi-Euler(2)
math_symmetricEulers(3,2) = pi+Euler(3)
math_symmetricEulers(1,3) = 2.0_pReal*pi-Euler(1)
math_symmetricEulers(2,3) = pi-Euler(2)
math_symmetricEulers(3,3) = pi+Euler(3)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_symmetricEulers(j,i) = modulo(math_symmetricEulers(j,i),2.0_pReal*pi)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
select case (sym)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (4_pInt) ! all done
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
case (2_pInt) ! return only first
math_symmetricEulers(1:3,2:3) = 0.0_pReal
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
case default ! return blank
math_symmetricEulers = 0.0_pReal
end select
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_symmetricEulers
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief draw a random sample from Gauss variable
!--------------------------------------------------------------------------------------------------
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
function math_sampleGaussVar(meanvalue, stddev, width)
implicit none
!*** input variables
real(pReal), intent(in) :: meanvalue, & ! meanvalue of gauss distribution
stddev ! standard deviation of gauss distribution
real(pReal), intent(in), optional :: width ! width of considered values as multiples of standard deviation
!*** output variables
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: math_sampleGaussVar
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
!*** local variables
real(pReal), dimension(2) :: rnd ! random numbers
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: scatter, & ! normalized scatter around meanvalue
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
myWidth
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if (stddev == 0.0_pReal) then
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
math_sampleGaussVar = meanvalue
return
endif
if (present(width)) then
myWidth = width
else
myWidth = 3.0_pReal ! use +-3*sigma as default value for scatter
endif
do
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call halton(2_pInt, rnd)
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
scatter = myWidth * (2.0_pReal * rnd(1) - 1.0_pReal)
if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) & ! test if scattered value is drawn
exit
enddo
math_sampleGaussVar = scatter * stddev
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_sampleGaussVar
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief not yet done
!--------------------------------------------------------------------------------------------------
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
subroutine math_spectralDecompositionSym33(M,values,vectors,error)
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
implicit none
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
real(pReal), dimension(3,3), intent(in) :: M
real(pReal), dimension(3), intent(out) :: values
real(pReal), dimension(3,3), intent(out) :: vectors
logical, intent(out) :: error
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt) :: info
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
real(pReal), dimension((64+2)*3) :: work ! block size of 64 taken from http://www.netlib.org/lapack/double/dsyev.f
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
vectors = M ! copy matrix to input (doubles as output) array
substituted hand written matrix inversion by LAPACK version with precision selection. also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated) Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 22:29:45 +05:30
#if(FLOAT==8)
call dsyev('V','U',3,vectors,3,values,work,(64+2)*3,info)
#elif(FLOAT==4)
call ssyev('V','U',3,vectors,3,values,work,(64+2)*3,info)
#endif
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
error = (info == 0_pInt)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +05:30
end subroutine
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief FE = R.U
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure subroutine math_pDecomposition(FE,U,R,error)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), intent(in), dimension(3,3) :: FE
real(pReal), intent(out), dimension(3,3) :: R, U
- rearranged array with symmetry operations - new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously) - rendered some functions pure
2009-12-14 16:32:10 +05:30
logical, intent(out) :: error
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), dimension(3,3) :: CE, EB1, EB2, EB3, UI
real(pReal) :: EW1, EW2, EW3, det
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
error = .false.
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
ce = math_mul33x33(math_transpose33(FE),FE)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
CALL math_spectral1(CE,EW1,EW2,EW3,EB1,EB2,EB3)
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
U=sqrt(EW1)*EB1+sqrt(EW2)*EB2+sqrt(EW3)*EB3
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
call math_invert33(U,UI,det,error)
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
if (.not. error) R = math_mul33x33(FE,UI)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine math_pDecomposition
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief EIGENWERTE UND EIGENWERTBASIS DER SYMMETRISCHEN 3X3 MATRIX M
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure subroutine math_spectral1(M,EW1,EW2,EW3,EB1,EB2,EB3)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), dimension(3,3), intent(in) :: M
real(pReal), dimension(3,3), intent(out) :: EB1, EB2, EB3
real(pReal), intent(out) :: EW1,EW2,EW3
real(pReal) HI1M, HI2M, HI3M, R, S, T, P, Q, RHO, PHI, Y1, Y2, Y3, D1, D2, D3
real(pReal), parameter :: TOL=1.e-14_pReal
real(pReal), dimension(3,3) :: M1, M2, M3
real(pReal) C1,C2,C3,arg
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
CALL math_hi(M,HI1M,HI2M,HI3M)
R=-HI1M
S= HI2M
T=-HI3M
P=S-R**2.0_pReal/3.0_pReal
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
EB1=0.0_pReal
EB2=0.0_pReal
EB3=0.0_pReal
IF((ABS(P).LT.TOL).AND.(ABS(Q).LT.TOL))THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! DREI GLEICHE EIGENWERTE
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW1=HI1M/3.0_pReal
EW2=EW1
EW3=EW1
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! this is not really correct, but this way U is calculated
! correctly in PDECOMPOSITION (correct is EB?=I)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EB1(1,1)=1.0_pReal
EB2(2,2)=1.0_pReal
EB3(3,3)=1.0_pReal
ELSE
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
RHO=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
arg=-Q/RHO/2.0_pReal
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(arg.GT.1.0_pReal) arg=1.0_pReal
if(arg.LT.-1.0_pReal) arg=-1.0_pReal
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
PHI=acos(arg)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
Y1=2.0_pReal*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal)
Y2=2.0_pReal*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
Y3=2.0_pReal*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW1=Y1-R/3.0_pReal
EW2=Y2-R/3.0_pReal
EW3=Y3-R/3.0_pReal
C1=ABS(EW1-EW2)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
C2=ABS(EW2-EW3)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
C3=ABS(EW3-EW1)
IF(C1.LT.TOL) THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! EW1 is equal to EW2
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D3=1.0_pReal/(EW3-EW1)/(EW3-EW2)
added 4th order identity
2007-03-27 20:43:08 +05:30
M1=M-EW1*math_I3
M2=M-EW2*math_I3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB3=math_mul33x33(M1,M2)*D3
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
added 4th order identity
2007-03-27 20:43:08 +05:30
EB1=math_I3-EB3
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! both EB2 and EW2 are set to zero so that they do not
! contribute to U in PDECOMPOSITION
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW2=0.0_pReal
ELSE IF(C2.LT.TOL) THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! EW2 is equal to EW3
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D1=1.0_pReal/(EW1-EW2)/(EW1-EW3)
added 4th order identity
2007-03-27 20:43:08 +05:30
M2=M-math_I3*EW2
M3=M-math_I3*EW3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB1=math_mul33x33(M2,M3)*D1
added 4th order identity
2007-03-27 20:43:08 +05:30
EB2=math_I3-EB1
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! both EB3 and EW3 are set to zero so that they do not
! contribute to U in PDECOMPOSITION
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW3=0.0_pReal
ELSE IF(C3.LT.TOL) THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! EW1 is equal to EW3
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
D2=1.0_pReal/(EW2-EW1)/(EW2-EW3)
added 4th order identity
2007-03-27 20:43:08 +05:30
M1=M-math_I3*EW1
M3=M-math_I3*EW3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB2=math_mul33x33(M1,M3)*D2
added 4th order identity
2007-03-27 20:43:08 +05:30
EB1=math_I3-EB2
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! both EB3 and EW3 are set to zero so that they do not
! contribute to U in PDECOMPOSITION
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW3=0.0_pReal
ELSE
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! all three eigenvectors are different
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D1=1.0_pReal/(EW1-EW2)/(EW1-EW3)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
D2=1.0_pReal/(EW2-EW1)/(EW2-EW3)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D3=1.0_pReal/(EW3-EW1)/(EW3-EW2)
added 4th order identity
2007-03-27 20:43:08 +05:30
M1=M-EW1*math_I3
M2=M-EW2*math_I3
M3=M-EW3*math_I3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB1=math_mul33x33(M2,M3)*D1
EB2=math_mul33x33(M1,M3)*D2
EB3=math_mul33x33(M1,M2)*D3
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
END IF
END IF
corrected makefile, now working again without giving standard values explicitly. did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 15:41:32 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine math_spectral1
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Eigenvalues of symmetric 3X3 matrix M
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function math_eigenvalues33(M)
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
implicit none
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), intent(in), dimension(3,3) :: M
real(pReal), dimension(3,3) :: EB1 = 0.0_pReal, EB2 = 0.0_pReal, EB3 = 0.0_pReal
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(3) :: math_eigenvalues33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: HI1M, HI2M, HI3M, R, S, T, P, Q, RHO, PHI, Y1, Y2, Y3, arg
real(pReal), parameter :: TOL=1.e-14_pReal
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
CALL math_hi(M,HI1M,HI2M,HI3M)
R=-HI1M
S= HI2M
T=-HI3M
P=S-R**2.0_pReal/3.0_pReal
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
if((abs(P) < TOL) .and. (abs(Q) < TOL)) THEN
! three equivalent eigenvalues
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_eigenvalues33(1) = HI1M/3.0_pReal
math_eigenvalues33(2)=math_eigenvalues33(1)
math_eigenvalues33(3)=math_eigenvalues33(1)
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
! this is not really correct, but this way U is calculated
! correctly in PDECOMPOSITION (correct is EB?=I)
EB1(1,1)=1.0_pReal
EB2(2,2)=1.0_pReal
EB3(3,3)=1.0_pReal
else
RHO=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
arg=-Q/RHO/2.0_pReal
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(arg.GT.1.0_pReal) arg=1.0_pReal
if(arg.LT.-1.0_pReal) arg=-1.0_pReal
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
PHI=acos(arg)
Y1=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal)
Y2=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
Y3=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_eigenvalues33(1) = Y1-R/3.0_pReal
math_eigenvalues33(2) = Y2-R/3.0_pReal
math_eigenvalues33(3) = Y3-R/3.0_pReal
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
endif
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_eigenvalues33
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief HAUPTINVARIANTEN HI1M, HI2M, HI3M DER 3X3 MATRIX M
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure subroutine math_hi(M,HI1M,HI2M,HI3M)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
real(pReal), intent(in) :: M(3,3)
real(pReal), intent(out) :: HI1M, HI2M, HI3M
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
HI1M=M(1,1)+M(2,2)+M(3,3)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
HI2M=HI1M**2.0_pReal/2.0_pReal- (M(1,1)**2.0_pReal+M(2,2)**2.0_pReal+M(3,3)**2.0_pReal)&
/2.0_pReal-M(1,2)*M(2,1)-M(1,3)*M(3,1)-M(2,3)*M(3,2)
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
HI3M=math_det33(M)
inserted MISSING comments and math_I3 global
2007-03-22 20:18:16 +05:30
! QUESTION: is 3rd equiv det(M) ?? if yes, use function math_det !agreed on YES
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine math_hi
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief HALTON computes the next element in the Halton sequence.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Parameters:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer NDIM, the dimension of the element.
! Output, real R(NDIM), the next element of the current Halton sequence.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 09 March 2003
! Author: John Burkardt
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 29 April 2005
! Author: Franz Roters
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine halton(ndim, r)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt), intent(in) :: ndim
real(pReal), intent(out), dimension(ndim) :: r
integer(pInt), dimension(ndim) :: base
integer(pInt) :: seed
integer(pInt), dimension(1) :: value_halton
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call halton_memory ('GET', 'SEED', 1_pInt, value_halton)
seed = value_halton(1)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call halton_memory ('GET', 'BASE', ndim, base)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call i_to_halton (seed, base, ndim, r)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
value_halton(1) = 1_pInt
call halton_memory ('INC', 'SEED', 1_pInt, value_halton)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine halton
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief HALTON_MEMORY sets or returns quantities associated with the Halton sequence.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Parameters:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, character (len = *) action_halton, the desired action.
! 'GET' means get the value of a particular quantity.
! 'SET' means set the value of a particular quantity.
! 'INC' means increment the value of a particular quantity.
! (Only the SEED can be incremented.)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, character (len = *) name_halton, the name of the quantity.
! 'BASE' means the Halton base or bases.
! 'NDIM' means the spatial dimension.
! 'SEED' means the current Halton seed.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input/output, integer NDIM, the dimension of the quantity.
! If action_halton is 'SET' and action_halton is 'BASE', then NDIM is input, and
! is the number of entries in value_halton to be put into BASE.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input/output, integer value_halton(NDIM), contains a value.
! If action_halton is 'SET', then on input, value_halton contains values to be assigned
! to the internal variable.
! If action_halton is 'GET', then on output, value_halton contains the values of
! the specified internal variable.
! If action_halton is 'INC', then on input, value_halton contains the increment to
! be added to the specified internal variable.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 09 March 2003
! Author: John Burkardt
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 29 April 2005
! Author: Franz Roters
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
character(len = *), intent(in) :: action_halton, name_halton
integer(pInt), dimension(*), intent(inout) :: value_halton
integer(pInt), allocatable, save, dimension(:) :: base
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
logical, save :: first_call = .true.
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt), intent(in) :: ndim
integer(pInt):: i
integer(pInt), save :: ndim_save = 0_pInt, seed = 1_pInt
if (first_call) then
ndim_save = 1_pInt
allocate(base(ndim_save))
base(1) = 2_pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
first_call = .false.
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
endif
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Set
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(action_halton(1:1) == 'S' .or. action_halton(1:1) == 's') then
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(name_halton(1:1) == 'B' .or. name_halton(1:1) == 'b') then
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(ndim_save /= ndim) then
deallocate(base)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
ndim_save = ndim
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
allocate(base(ndim_save))
endif
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
base(1:ndim) = value_halton(1:ndim)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
elseif(name_halton(1:1) == 'N' .or. name_halton(1:1) == 'n') then
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(ndim_save /= value_halton(1)) then
deallocate(base)
ndim_save = value_halton(1)
allocate(base(ndim_save))
do i = 1_pInt, ndim_save
base(i) = prime (i)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
enddo
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
else
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
ndim_save = value_halton(1)
endif
elseif(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
seed = value_halton(1)
endif
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Get
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
elseif(action_halton(1:1) == 'G' .or. action_halton(1:1) == 'g') then
if(name_halton(1:1) == 'B' .or. name_halton(1:1) == 'b') then
if(ndim /= ndim_save) then
deallocate(base)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
ndim_save = ndim
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
allocate(base(ndim_save))
do i = 1_pInt, ndim_save
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
base(i) = prime(i)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
enddo
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
endif
value_halton(1:ndim_save) = base(1:ndim_save)
elseif(name_halton(1:1) == 'N' .or. name_halton(1:1) == 'n') then
value_halton(1) = ndim_save
elseif(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
value_halton(1) = seed
endif
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Increment
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
elseif(action_halton(1:1) == 'I' .or. action_halton(1:1) == 'i') then
if(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
seed = seed + value_halton(1)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
end if
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
endif
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine halton_memory
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief HALTON_NDIM_SET sets the dimension for a Halton sequence.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Parameters:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer NDIM, the dimension of the Halton vectors.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 26 February 2001
! Author: John Burkardt
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 29 April 2005
! Author: Franz Roters
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine halton_ndim_set (ndim)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt), intent(in) :: ndim
integer(pInt) :: value_halton(1)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
value_halton(1) = ndim
call halton_memory ('SET', 'NDIM', 1_pInt, value_halton)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine halton_ndim_set
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!> HALTON_SEED_SET sets the "seed" for the Halton sequence.
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
!
! Calling HALTON repeatedly returns the elements of the
! Halton sequence in order, starting with element number 1.
! An internal counter, called SEED, keeps track of the next element
! to return. Each time the routine is called, the SEED-th element
! is computed, and then SEED is incremented by 1.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! To restart the Halton sequence, it is only necessary to reset
! SEED to 1. It might also be desirable to reset SEED to some other value.
! This routine allows the user to specify any value of SEED.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! The default value of SEED is 1, which restarts the Halton sequence.
polished syntax to conform with f90
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!
! Parameters:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer SEED, the seed for the Halton sequence.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 26 February 2001
! Author: John Burkardt
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 29 April 2005
! Author: Franz Roters
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine halton_seed_set (seed)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt), parameter :: ndim = 1_pInt
integer(pInt), intent(in) :: seed
integer(pInt) :: value_halton(ndim)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
value_halton(1) = seed
call halton_memory ('SET', 'SEED', ndim, value_halton)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine halton_seed_set
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief I_TO_HALTON computes an element of a Halton sequence.
polished syntax to conform with f90
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!
! Reference:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! J H Halton: On the efficiency of certain quasi-random sequences of points
! in evaluating multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
added comments for doxygen documentation
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!
polished syntax to conform with f90
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! Parameters:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer SEED, the index of the desired element.
! Only the absolute value of SEED is considered. SEED = 0 is allowed,
! and returns R = 0.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer BASE(NDIM), the Halton bases, which should be
! distinct prime numbers. This routine only checks that each base
! is greater than 1.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer NDIM, the dimension of the sequence.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Output, real R(NDIM), the SEED-th element of the Halton sequence
! for the given bases.
!
! Modified: 26 February 2001
! Author: John Burkardt
!
! Modified: 29 April 2005
! Author: Franz RotersA
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
subroutine i_to_halton (seed, base, ndim, r)
use IO, only: IO_error
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
integer(pInt), intent(in) :: ndim
integer(pInt), intent(in), dimension(ndim) :: base
real(pReal), dimension(ndim) :: base_inv
integer(pInt), dimension(ndim) :: digit
real(pReal), dimension(ndim), intent(out) ::r
integer(pInt) :: seed
integer(pInt), dimension(ndim) :: seed2
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
seed2(1:ndim) = abs(seed)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
r(1:ndim) = 0.0_pReal
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
if (any (base(1:ndim) <= 1_pInt)) call IO_error(error_ID=405_pInt)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
base_inv(1:ndim) = 1.0_pReal / real (base(1:ndim), pReal)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do while ( any ( seed2(1:ndim) /= 0_pInt) )
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim))
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal) * base_inv(1:ndim)
base_inv(1:ndim) = base_inv(1:ndim) / real ( base(1:ndim), pReal)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
enddo
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end subroutine i_to_halton
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief PRIME returns any of the first PRIME_MAX prime numbers.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Note:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! PRIME_MAX is 1500, and the largest prime stored is 12553.
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! Reference:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
! US Department of Commerce, 1964, pages 870-873.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
! 30th Edition, CRC Press, 1996, pages 95-98.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! Parameters:
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Input, integer N, the index of the desired prime number.
! N = -1 returns PRIME_MAX, the index of the largest prime available.
! N = 0 is legal, returning PRIME = 1.
! It should generally be true that 0 <= N <= PRIME_MAX.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Output, integer PRIME, the N-th prime. If N is out of range, PRIME
! is returned as 0.
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 21 June 2002
! Author: John Burkardt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! Modified: 29 April 2005
! Author: Franz Roters
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
function prime(n)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use IO, only: IO_error
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
integer(pInt), parameter :: prime_max = 1500_pInt
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
integer(pInt), save :: icall = 0_pInt
integer(pInt), intent(in) :: n
integer(pInt), save, dimension(prime_max) :: npvec
integer(pInt) prime
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if (icall == 0_pInt) then
icall = 1_pInt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
npvec = [&
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
2_pInt, 3_pInt, 5_pInt, 7_pInt, 11_pInt, 13_pInt, 17_pInt, 19_pInt, 23_pInt, 29_pInt, &
31_pInt, 37_pInt, 41_pInt, 43_pInt, 47_pInt, 53_pInt, 59_pInt, 61_pInt, 67_pInt, 71_pInt, &
73_pInt, 79_pInt, 83_pInt, 89_pInt, 97_pInt, 101_pInt, 103_pInt, 107_pInt, 109_pInt, 113_pInt, &
127_pInt, 131_pInt, 137_pInt, 139_pInt, 149_pInt, 151_pInt, 157_pInt, 163_pInt, 167_pInt, 173_pInt, &
179_pInt, 181_pInt, 191_pInt, 193_pInt, 197_pInt, 199_pInt, 211_pInt, 223_pInt, 227_pInt, 229_pInt, &
233_pInt, 239_pInt, 241_pInt, 251_pInt, 257_pInt, 263_pInt, 269_pInt, 271_pInt, 277_pInt, 281_pInt, &
283_pInt, 293_pInt, 307_pInt, 311_pInt, 313_pInt, 317_pInt, 331_pInt, 337_pInt, 347_pInt, 349_pInt, &
353_pInt, 359_pInt, 367_pInt, 373_pInt, 379_pInt, 383_pInt, 389_pInt, 397_pInt, 401_pInt, 409_pInt, &
419_pInt, 421_pInt, 431_pInt, 433_pInt, 439_pInt, 443_pInt, 449_pInt, 457_pInt, 461_pInt, 463_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
467_pInt, 479_pInt, 487_pInt, 491_pInt, 499_pInt, 503_pInt, 509_pInt, 521_pInt, 523_pInt, 541_pInt, &
! 101:200
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
547_pInt, 557_pInt, 563_pInt, 569_pInt, 571_pInt, 577_pInt, 587_pInt, 593_pInt, 599_pInt, 601_pInt, &
607_pInt, 613_pInt, 617_pInt, 619_pInt, 631_pInt, 641_pInt, 643_pInt, 647_pInt, 653_pInt, 659_pInt, &
661_pInt, 673_pInt, 677_pInt, 683_pInt, 691_pInt, 701_pInt, 709_pInt, 719_pInt, 727_pInt, 733_pInt, &
739_pInt, 743_pInt, 751_pInt, 757_pInt, 761_pInt, 769_pInt, 773_pInt, 787_pInt, 797_pInt, 809_pInt, &
811_pInt, 821_pInt, 823_pInt, 827_pInt, 829_pInt, 839_pInt, 853_pInt, 857_pInt, 859_pInt, 863_pInt, &
877_pInt, 881_pInt, 883_pInt, 887_pInt, 907_pInt, 911_pInt, 919_pInt, 929_pInt, 937_pInt, 941_pInt, &
947_pInt, 953_pInt, 967_pInt, 971_pInt, 977_pInt, 983_pInt, 991_pInt, 997_pInt, 1009_pInt, 1013_pInt, &
1019_pInt, 1021_pInt, 1031_pInt, 1033_pInt, 1039_pInt, 1049_pInt, 1051_pInt, 1061_pInt, 1063_pInt, 1069_pInt, &
1087_pInt, 1091_pInt, 1093_pInt, 1097_pInt, 1103_pInt, 1109_pInt, 1117_pInt, 1123_pInt, 1129_pInt, 1151_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
1153_pInt, 1163_pInt, 1171_pInt, 1181_pInt, 1187_pInt, 1193_pInt, 1201_pInt, 1213_pInt, 1217_pInt, 1223_pInt, &
! 201:300
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
1229_pInt, 1231_pInt, 1237_pInt, 1249_pInt, 1259_pInt, 1277_pInt, 1279_pInt, 1283_pInt, 1289_pInt, 1291_pInt, &
1297_pInt, 1301_pInt, 1303_pInt, 1307_pInt, 1319_pInt, 1321_pInt, 1327_pInt, 1361_pInt, 1367_pInt, 1373_pInt, &
1381_pInt, 1399_pInt, 1409_pInt, 1423_pInt, 1427_pInt, 1429_pInt, 1433_pInt, 1439_pInt, 1447_pInt, 1451_pInt, &
1453_pInt, 1459_pInt, 1471_pInt, 1481_pInt, 1483_pInt, 1487_pInt, 1489_pInt, 1493_pInt, 1499_pInt, 1511_pInt, &
1523_pInt, 1531_pInt, 1543_pInt, 1549_pInt, 1553_pInt, 1559_pInt, 1567_pInt, 1571_pInt, 1579_pInt, 1583_pInt, &
1597_pInt, 1601_pInt, 1607_pInt, 1609_pInt, 1613_pInt, 1619_pInt, 1621_pInt, 1627_pInt, 1637_pInt, 1657_pInt, &
1663_pInt, 1667_pInt, 1669_pInt, 1693_pInt, 1697_pInt, 1699_pInt, 1709_pInt, 1721_pInt, 1723_pInt, 1733_pInt, &
1741_pInt, 1747_pInt, 1753_pInt, 1759_pInt, 1777_pInt, 1783_pInt, 1787_pInt, 1789_pInt, 1801_pInt, 1811_pInt, &
1823_pInt, 1831_pInt, 1847_pInt, 1861_pInt, 1867_pInt, 1871_pInt, 1873_pInt, 1877_pInt, 1879_pInt, 1889_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
1901_pInt, 1907_pInt, 1913_pInt, 1931_pInt, 1933_pInt, 1949_pInt, 1951_pInt, 1973_pInt, 1979_pInt, 1987_pInt, &
! 301:400
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
1993_pInt, 1997_pInt, 1999_pInt, 2003_pInt, 2011_pInt, 2017_pInt, 2027_pInt, 2029_pInt, 2039_pInt, 2053_pInt, &
2063_pInt, 2069_pInt, 2081_pInt, 2083_pInt, 2087_pInt, 2089_pInt, 2099_pInt, 2111_pInt, 2113_pInt, 2129_pInt, &
2131_pInt, 2137_pInt, 2141_pInt, 2143_pInt, 2153_pInt, 2161_pInt, 2179_pInt, 2203_pInt, 2207_pInt, 2213_pInt, &
2221_pInt, 2237_pInt, 2239_pInt, 2243_pInt, 2251_pInt, 2267_pInt, 2269_pInt, 2273_pInt, 2281_pInt, 2287_pInt, &
2293_pInt, 2297_pInt, 2309_pInt, 2311_pInt, 2333_pInt, 2339_pInt, 2341_pInt, 2347_pInt, 2351_pInt, 2357_pInt, &
2371_pInt, 2377_pInt, 2381_pInt, 2383_pInt, 2389_pInt, 2393_pInt, 2399_pInt, 2411_pInt, 2417_pInt, 2423_pInt, &
2437_pInt, 2441_pInt, 2447_pInt, 2459_pInt, 2467_pInt, 2473_pInt, 2477_pInt, 2503_pInt, 2521_pInt, 2531_pInt, &
2539_pInt, 2543_pInt, 2549_pInt, 2551_pInt, 2557_pInt, 2579_pInt, 2591_pInt, 2593_pInt, 2609_pInt, 2617_pInt, &
2621_pInt, 2633_pInt, 2647_pInt, 2657_pInt, 2659_pInt, 2663_pInt, 2671_pInt, 2677_pInt, 2683_pInt, 2687_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
2689_pInt, 2693_pInt, 2699_pInt, 2707_pInt, 2711_pInt, 2713_pInt, 2719_pInt, 2729_pInt, 2731_pInt, 2741_pInt, &
! 401:500
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
2749_pInt, 2753_pInt, 2767_pInt, 2777_pInt, 2789_pInt, 2791_pInt, 2797_pInt, 2801_pInt, 2803_pInt, 2819_pInt, &
2833_pInt, 2837_pInt, 2843_pInt, 2851_pInt, 2857_pInt, 2861_pInt, 2879_pInt, 2887_pInt, 2897_pInt, 2903_pInt, &
2909_pInt, 2917_pInt, 2927_pInt, 2939_pInt, 2953_pInt, 2957_pInt, 2963_pInt, 2969_pInt, 2971_pInt, 2999_pInt, &
3001_pInt, 3011_pInt, 3019_pInt, 3023_pInt, 3037_pInt, 3041_pInt, 3049_pInt, 3061_pInt, 3067_pInt, 3079_pInt, &
3083_pInt, 3089_pInt, 3109_pInt, 3119_pInt, 3121_pInt, 3137_pInt, 3163_pInt, 3167_pInt, 3169_pInt, 3181_pInt, &
3187_pInt, 3191_pInt, 3203_pInt, 3209_pInt, 3217_pInt, 3221_pInt, 3229_pInt, 3251_pInt, 3253_pInt, 3257_pInt, &
3259_pInt, 3271_pInt, 3299_pInt, 3301_pInt, 3307_pInt, 3313_pInt, 3319_pInt, 3323_pInt, 3329_pInt, 3331_pInt, &
3343_pInt, 3347_pInt, 3359_pInt, 3361_pInt, 3371_pInt, 3373_pInt, 3389_pInt, 3391_pInt, 3407_pInt, 3413_pInt, &
3433_pInt, 3449_pInt, 3457_pInt, 3461_pInt, 3463_pInt, 3467_pInt, 3469_pInt, 3491_pInt, 3499_pInt, 3511_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
3517_pInt, 3527_pInt, 3529_pInt, 3533_pInt, 3539_pInt, 3541_pInt, 3547_pInt, 3557_pInt, 3559_pInt, 3571_pInt, &
! 501:600
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
3581_pInt, 3583_pInt, 3593_pInt, 3607_pInt, 3613_pInt, 3617_pInt, 3623_pInt, 3631_pInt, 3637_pInt, 3643_pInt, &
3659_pInt, 3671_pInt, 3673_pInt, 3677_pInt, 3691_pInt, 3697_pInt, 3701_pInt, 3709_pInt, 3719_pInt, 3727_pInt, &
3733_pInt, 3739_pInt, 3761_pInt, 3767_pInt, 3769_pInt, 3779_pInt, 3793_pInt, 3797_pInt, 3803_pInt, 3821_pInt, &
3823_pInt, 3833_pInt, 3847_pInt, 3851_pInt, 3853_pInt, 3863_pInt, 3877_pInt, 3881_pInt, 3889_pInt, 3907_pInt, &
3911_pInt, 3917_pInt, 3919_pInt, 3923_pInt, 3929_pInt, 3931_pInt, 3943_pInt, 3947_pInt, 3967_pInt, 3989_pInt, &
4001_pInt, 4003_pInt, 4007_pInt, 4013_pInt, 4019_pInt, 4021_pInt, 4027_pInt, 4049_pInt, 4051_pInt, 4057_pInt, &
4073_pInt, 4079_pInt, 4091_pInt, 4093_pInt, 4099_pInt, 4111_pInt, 4127_pInt, 4129_pInt, 4133_pInt, 4139_pInt, &
4153_pInt, 4157_pInt, 4159_pInt, 4177_pInt, 4201_pInt, 4211_pInt, 4217_pInt, 4219_pInt, 4229_pInt, 4231_pInt, &
4241_pInt, 4243_pInt, 4253_pInt, 4259_pInt, 4261_pInt, 4271_pInt, 4273_pInt, 4283_pInt, 4289_pInt, 4297_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
4327_pInt, 4337_pInt, 4339_pInt, 4349_pInt, 4357_pInt, 4363_pInt, 4373_pInt, 4391_pInt, 4397_pInt, 4409_pInt, &
! 601:700
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
4421_pInt, 4423_pInt, 4441_pInt, 4447_pInt, 4451_pInt, 4457_pInt, 4463_pInt, 4481_pInt, 4483_pInt, 4493_pInt, &
4507_pInt, 4513_pInt, 4517_pInt, 4519_pInt, 4523_pInt, 4547_pInt, 4549_pInt, 4561_pInt, 4567_pInt, 4583_pInt, &
4591_pInt, 4597_pInt, 4603_pInt, 4621_pInt, 4637_pInt, 4639_pInt, 4643_pInt, 4649_pInt, 4651_pInt, 4657_pInt, &
4663_pInt, 4673_pInt, 4679_pInt, 4691_pInt, 4703_pInt, 4721_pInt, 4723_pInt, 4729_pInt, 4733_pInt, 4751_pInt, &
4759_pInt, 4783_pInt, 4787_pInt, 4789_pInt, 4793_pInt, 4799_pInt, 4801_pInt, 4813_pInt, 4817_pInt, 4831_pInt, &
4861_pInt, 4871_pInt, 4877_pInt, 4889_pInt, 4903_pInt, 4909_pInt, 4919_pInt, 4931_pInt, 4933_pInt, 4937_pInt, &
4943_pInt, 4951_pInt, 4957_pInt, 4967_pInt, 4969_pInt, 4973_pInt, 4987_pInt, 4993_pInt, 4999_pInt, 5003_pInt, &
5009_pInt, 5011_pInt, 5021_pInt, 5023_pInt, 5039_pInt, 5051_pInt, 5059_pInt, 5077_pInt, 5081_pInt, 5087_pInt, &
5099_pInt, 5101_pInt, 5107_pInt, 5113_pInt, 5119_pInt, 5147_pInt, 5153_pInt, 5167_pInt, 5171_pInt, 5179_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
5189_pInt, 5197_pInt, 5209_pInt, 5227_pInt, 5231_pInt, 5233_pInt, 5237_pInt, 5261_pInt, 5273_pInt, 5279_pInt, &
! 701:800
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
5281_pInt, 5297_pInt, 5303_pInt, 5309_pInt, 5323_pInt, 5333_pInt, 5347_pInt, 5351_pInt, 5381_pInt, 5387_pInt, &
5393_pInt, 5399_pInt, 5407_pInt, 5413_pInt, 5417_pInt, 5419_pInt, 5431_pInt, 5437_pInt, 5441_pInt, 5443_pInt, &
5449_pInt, 5471_pInt, 5477_pInt, 5479_pInt, 5483_pInt, 5501_pInt, 5503_pInt, 5507_pInt, 5519_pInt, 5521_pInt, &
5527_pInt, 5531_pInt, 5557_pInt, 5563_pInt, 5569_pInt, 5573_pInt, 5581_pInt, 5591_pInt, 5623_pInt, 5639_pInt, &
5641_pInt, 5647_pInt, 5651_pInt, 5653_pInt, 5657_pInt, 5659_pInt, 5669_pInt, 5683_pInt, 5689_pInt, 5693_pInt, &
5701_pInt, 5711_pInt, 5717_pInt, 5737_pInt, 5741_pInt, 5743_pInt, 5749_pInt, 5779_pInt, 5783_pInt, 5791_pInt, &
5801_pInt, 5807_pInt, 5813_pInt, 5821_pInt, 5827_pInt, 5839_pInt, 5843_pInt, 5849_pInt, 5851_pInt, 5857_pInt, &
5861_pInt, 5867_pInt, 5869_pInt, 5879_pInt, 5881_pInt, 5897_pInt, 5903_pInt, 5923_pInt, 5927_pInt, 5939_pInt, &
5953_pInt, 5981_pInt, 5987_pInt, 6007_pInt, 6011_pInt, 6029_pInt, 6037_pInt, 6043_pInt, 6047_pInt, 6053_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
6067_pInt, 6073_pInt, 6079_pInt, 6089_pInt, 6091_pInt, 6101_pInt, 6113_pInt, 6121_pInt, 6131_pInt, 6133_pInt, &
! 801:900
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
6143_pInt, 6151_pInt, 6163_pInt, 6173_pInt, 6197_pInt, 6199_pInt, 6203_pInt, 6211_pInt, 6217_pInt, 6221_pInt, &
6229_pInt, 6247_pInt, 6257_pInt, 6263_pInt, 6269_pInt, 6271_pInt, 6277_pInt, 6287_pInt, 6299_pInt, 6301_pInt, &
6311_pInt, 6317_pInt, 6323_pInt, 6329_pInt, 6337_pInt, 6343_pInt, 6353_pInt, 6359_pInt, 6361_pInt, 6367_pInt, &
6373_pInt, 6379_pInt, 6389_pInt, 6397_pInt, 6421_pInt, 6427_pInt, 6449_pInt, 6451_pInt, 6469_pInt, 6473_pInt, &
6481_pInt, 6491_pInt, 6521_pInt, 6529_pInt, 6547_pInt, 6551_pInt, 6553_pInt, 6563_pInt, 6569_pInt, 6571_pInt, &
6577_pInt, 6581_pInt, 6599_pInt, 6607_pInt, 6619_pInt, 6637_pInt, 6653_pInt, 6659_pInt, 6661_pInt, 6673_pInt, &
6679_pInt, 6689_pInt, 6691_pInt, 6701_pInt, 6703_pInt, 6709_pInt, 6719_pInt, 6733_pInt, 6737_pInt, 6761_pInt, &
6763_pInt, 6779_pInt, 6781_pInt, 6791_pInt, 6793_pInt, 6803_pInt, 6823_pInt, 6827_pInt, 6829_pInt, 6833_pInt, &
6841_pInt, 6857_pInt, 6863_pInt, 6869_pInt, 6871_pInt, 6883_pInt, 6899_pInt, 6907_pInt, 6911_pInt, 6917_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
6947_pInt, 6949_pInt, 6959_pInt, 6961_pInt, 6967_pInt, 6971_pInt, 6977_pInt, 6983_pInt, 6991_pInt, 6997_pInt, &
! 901:1000
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
7001_pInt, 7013_pInt, 7019_pInt, 7027_pInt, 7039_pInt, 7043_pInt, 7057_pInt, 7069_pInt, 7079_pInt, 7103_pInt, &
7109_pInt, 7121_pInt, 7127_pInt, 7129_pInt, 7151_pInt, 7159_pInt, 7177_pInt, 7187_pInt, 7193_pInt, 7207_pInt, &
7211_pInt, 7213_pInt, 7219_pInt, 7229_pInt, 7237_pInt, 7243_pInt, 7247_pInt, 7253_pInt, 7283_pInt, 7297_pInt, &
7307_pInt, 7309_pInt, 7321_pInt, 7331_pInt, 7333_pInt, 7349_pInt, 7351_pInt, 7369_pInt, 7393_pInt, 7411_pInt, &
7417_pInt, 7433_pInt, 7451_pInt, 7457_pInt, 7459_pInt, 7477_pInt, 7481_pInt, 7487_pInt, 7489_pInt, 7499_pInt, &
7507_pInt, 7517_pInt, 7523_pInt, 7529_pInt, 7537_pInt, 7541_pInt, 7547_pInt, 7549_pInt, 7559_pInt, 7561_pInt, &
7573_pInt, 7577_pInt, 7583_pInt, 7589_pInt, 7591_pInt, 7603_pInt, 7607_pInt, 7621_pInt, 7639_pInt, 7643_pInt, &
7649_pInt, 7669_pInt, 7673_pInt, 7681_pInt, 7687_pInt, 7691_pInt, 7699_pInt, 7703_pInt, 7717_pInt, 7723_pInt, &
7727_pInt, 7741_pInt, 7753_pInt, 7757_pInt, 7759_pInt, 7789_pInt, 7793_pInt, 7817_pInt, 7823_pInt, 7829_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
7841_pInt, 7853_pInt, 7867_pInt, 7873_pInt, 7877_pInt, 7879_pInt, 7883_pInt, 7901_pInt, 7907_pInt, 7919_pInt, &
! 1001:1100
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
7927_pInt, 7933_pInt, 7937_pInt, 7949_pInt, 7951_pInt, 7963_pInt, 7993_pInt, 8009_pInt, 8011_pInt, 8017_pInt, &
8039_pInt, 8053_pInt, 8059_pInt, 8069_pInt, 8081_pInt, 8087_pInt, 8089_pInt, 8093_pInt, 8101_pInt, 8111_pInt, &
8117_pInt, 8123_pInt, 8147_pInt, 8161_pInt, 8167_pInt, 8171_pInt, 8179_pInt, 8191_pInt, 8209_pInt, 8219_pInt, &
8221_pInt, 8231_pInt, 8233_pInt, 8237_pInt, 8243_pInt, 8263_pInt, 8269_pInt, 8273_pInt, 8287_pInt, 8291_pInt, &
8293_pInt, 8297_pInt, 8311_pInt, 8317_pInt, 8329_pInt, 8353_pInt, 8363_pInt, 8369_pInt, 8377_pInt, 8387_pInt, &
8389_pInt, 8419_pInt, 8423_pInt, 8429_pInt, 8431_pInt, 8443_pInt, 8447_pInt, 8461_pInt, 8467_pInt, 8501_pInt, &
8513_pInt, 8521_pInt, 8527_pInt, 8537_pInt, 8539_pInt, 8543_pInt, 8563_pInt, 8573_pInt, 8581_pInt, 8597_pInt, &
8599_pInt, 8609_pInt, 8623_pInt, 8627_pInt, 8629_pInt, 8641_pInt, 8647_pInt, 8663_pInt, 8669_pInt, 8677_pInt, &
8681_pInt, 8689_pInt, 8693_pInt, 8699_pInt, 8707_pInt, 8713_pInt, 8719_pInt, 8731_pInt, 8737_pInt, 8741_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
8747_pInt, 8753_pInt, 8761_pInt, 8779_pInt, 8783_pInt, 8803_pInt, 8807_pInt, 8819_pInt, 8821_pInt, 8831_pInt, &
! 1101:1200
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
8837_pInt, 8839_pInt, 8849_pInt, 8861_pInt, 8863_pInt, 8867_pInt, 8887_pInt, 8893_pInt, 8923_pInt, 8929_pInt, &
8933_pInt, 8941_pInt, 8951_pInt, 8963_pInt, 8969_pInt, 8971_pInt, 8999_pInt, 9001_pInt, 9007_pInt, 9011_pInt, &
9013_pInt, 9029_pInt, 9041_pInt, 9043_pInt, 9049_pInt, 9059_pInt, 9067_pInt, 9091_pInt, 9103_pInt, 9109_pInt, &
9127_pInt, 9133_pInt, 9137_pInt, 9151_pInt, 9157_pInt, 9161_pInt, 9173_pInt, 9181_pInt, 9187_pInt, 9199_pInt, &
9203_pInt, 9209_pInt, 9221_pInt, 9227_pInt, 9239_pInt, 9241_pInt, 9257_pInt, 9277_pInt, 9281_pInt, 9283_pInt, &
9293_pInt, 9311_pInt, 9319_pInt, 9323_pInt, 9337_pInt, 9341_pInt, 9343_pInt, 9349_pInt, 9371_pInt, 9377_pInt, &
9391_pInt, 9397_pInt, 9403_pInt, 9413_pInt, 9419_pInt, 9421_pInt, 9431_pInt, 9433_pInt, 9437_pInt, 9439_pInt, &
9461_pInt, 9463_pInt, 9467_pInt, 9473_pInt, 9479_pInt, 9491_pInt, 9497_pInt, 9511_pInt, 9521_pInt, 9533_pInt, &
9539_pInt, 9547_pInt, 9551_pInt, 9587_pInt, 9601_pInt, 9613_pInt, 9619_pInt, 9623_pInt, 9629_pInt, 9631_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
9643_pInt, 9649_pInt, 9661_pInt, 9677_pInt, 9679_pInt, 9689_pInt, 9697_pInt, 9719_pInt, 9721_pInt, 9733_pInt, &
! 1201:1300
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
9739_pInt, 9743_pInt, 9749_pInt, 9767_pInt, 9769_pInt, 9781_pInt, 9787_pInt, 9791_pInt, 9803_pInt, 9811_pInt, &
9817_pInt, 9829_pInt, 9833_pInt, 9839_pInt, 9851_pInt, 9857_pInt, 9859_pInt, 9871_pInt, 9883_pInt, 9887_pInt, &
9901_pInt, 9907_pInt, 9923_pInt, 9929_pInt, 9931_pInt, 9941_pInt, 9949_pInt, 9967_pInt, 9973_pInt,10007_pInt, &
10009_pInt,10037_pInt,10039_pInt,10061_pInt,10067_pInt,10069_pInt,10079_pInt,10091_pInt,10093_pInt,10099_pInt, &
10103_pInt,10111_pInt,10133_pInt,10139_pInt,10141_pInt,10151_pInt,10159_pInt,10163_pInt,10169_pInt,10177_pInt, &
10181_pInt,10193_pInt,10211_pInt,10223_pInt,10243_pInt,10247_pInt,10253_pInt,10259_pInt,10267_pInt,10271_pInt, &
10273_pInt,10289_pInt,10301_pInt,10303_pInt,10313_pInt,10321_pInt,10331_pInt,10333_pInt,10337_pInt,10343_pInt, &
10357_pInt,10369_pInt,10391_pInt,10399_pInt,10427_pInt,10429_pInt,10433_pInt,10453_pInt,10457_pInt,10459_pInt, &
10463_pInt,10477_pInt,10487_pInt,10499_pInt,10501_pInt,10513_pInt,10529_pInt,10531_pInt,10559_pInt,10567_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
10589_pInt,10597_pInt,10601_pInt,10607_pInt,10613_pInt,10627_pInt,10631_pInt,10639_pInt,10651_pInt,10657_pInt, &
! 1301:1400
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
10663_pInt,10667_pInt,10687_pInt,10691_pInt,10709_pInt,10711_pInt,10723_pInt,10729_pInt,10733_pInt,10739_pInt, &
10753_pInt,10771_pInt,10781_pInt,10789_pInt,10799_pInt,10831_pInt,10837_pInt,10847_pInt,10853_pInt,10859_pInt, &
10861_pInt,10867_pInt,10883_pInt,10889_pInt,10891_pInt,10903_pInt,10909_pInt,19037_pInt,10939_pInt,10949_pInt, &
10957_pInt,10973_pInt,10979_pInt,10987_pInt,10993_pInt,11003_pInt,11027_pInt,11047_pInt,11057_pInt,11059_pInt, &
11069_pInt,11071_pInt,11083_pInt,11087_pInt,11093_pInt,11113_pInt,11117_pInt,11119_pInt,11131_pInt,11149_pInt, &
11159_pInt,11161_pInt,11171_pInt,11173_pInt,11177_pInt,11197_pInt,11213_pInt,11239_pInt,11243_pInt,11251_pInt, &
11257_pInt,11261_pInt,11273_pInt,11279_pInt,11287_pInt,11299_pInt,11311_pInt,11317_pInt,11321_pInt,11329_pInt, &
11351_pInt,11353_pInt,11369_pInt,11383_pInt,11393_pInt,11399_pInt,11411_pInt,11423_pInt,11437_pInt,11443_pInt, &
11447_pInt,11467_pInt,11471_pInt,11483_pInt,11489_pInt,11491_pInt,11497_pInt,11503_pInt,11519_pInt,11527_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
11549_pInt,11551_pInt,11579_pInt,11587_pInt,11593_pInt,11597_pInt,11617_pInt,11621_pInt,11633_pInt,11657_pInt, &
! 1401:1500
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
11677_pInt,11681_pInt,11689_pInt,11699_pInt,11701_pInt,11717_pInt,11719_pInt,11731_pInt,11743_pInt,11777_pInt, &
11779_pInt,11783_pInt,11789_pInt,11801_pInt,11807_pInt,11813_pInt,11821_pInt,11827_pInt,11831_pInt,11833_pInt, &
11839_pInt,11863_pInt,11867_pInt,11887_pInt,11897_pInt,11903_pInt,11909_pInt,11923_pInt,11927_pInt,11933_pInt, &
11939_pInt,11941_pInt,11953_pInt,11959_pInt,11969_pInt,11971_pInt,11981_pInt,11987_pInt,12007_pInt,12011_pInt, &
12037_pInt,12041_pInt,12043_pInt,12049_pInt,12071_pInt,12073_pInt,12097_pInt,12101_pInt,12107_pInt,12109_pInt, &
12113_pInt,12119_pInt,12143_pInt,12149_pInt,12157_pInt,12161_pInt,12163_pInt,12197_pInt,12203_pInt,12211_pInt, &
12227_pInt,12239_pInt,12241_pInt,12251_pInt,12253_pInt,12263_pInt,12269_pInt,12277_pInt,12281_pInt,12289_pInt, &
12301_pInt,12323_pInt,12329_pInt,12343_pInt,12347_pInt,12373_pInt,12377_pInt,12379_pInt,12391_pInt,12401_pInt, &
12409_pInt,12413_pInt,12421_pInt,12433_pInt,12437_pInt,12451_pInt,12457_pInt,12473_pInt,12479_pInt,12487_pInt, &
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
12491_pInt,12497_pInt,12503_pInt,12511_pInt,12517_pInt,12527_pInt,12539_pInt,12541_pInt,12547_pInt,12553_pInt]
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
endif
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
if(n == -1_pInt) then
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
prime = prime_max
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
else if (n == 0_pInt) then
prime = 1_pInt
else if (n <= prime_max) then
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
prime = npvec(n)
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 19:38:07 +05:30
else
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
call IO_error(error_ID=406_pInt)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
end if
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function prime
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief volume of tetrahedron given by four vertices
!--------------------------------------------------------------------------------------------------
pure function math_volTetrahedron(v1,v2,v3,v4)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
implicit none
real(pReal) math_volTetrahedron
real(pReal), dimension (3), intent(in) :: v1,v2,v3,v4
real(pReal), dimension (3,3) :: m
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
m(1:3,1) = v1-v2
m(1:3,2) = v2-v3
m(1:3,3) = v3-v4
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
math_volTetrahedron = math_det33(m)/6.0_pReal
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_volTetrahedron
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief rotate 33 tensor forward
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_rotate_forward33(tensor,rot_tensor)
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
implicit none
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(3,3) :: math_rotate_forward33
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
real(pReal), dimension(3,3), intent(in) :: tensor, rot_tensor
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_rotate_forward33 = math_mul33x33(rot_tensor,&
math_mul33x33(tensor,math_transpose33(rot_tensor)))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_rotate_forward33
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief rotate 33 tensor backward
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_rotate_backward33(tensor,rot_tensor)
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
implicit none
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(3,3) :: math_rotate_backward33
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
real(pReal), dimension(3,3), intent(in) :: tensor, rot_tensor
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_rotate_backward33 = math_mul33x33(math_transpose33(rot_tensor),&
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
math_mul33x33(tensor,rot_tensor))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_rotate_backward33
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief rotate 3333 tensor C'_ijkl=g_im*g_jn*g_ko*g_lp*C_mnop
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
pure function math_rotate_forward3333(tensor,rot_tensor)
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
implicit none
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
real(pReal), dimension(3,3,3,3) :: math_rotate_forward3333
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 23:56:34 +05:30
real(pReal), dimension(3,3), intent(in) :: rot_tensor
real(pReal), dimension(3,3,3,3), intent(in) :: tensor
some small improvements regarding the rotation of the loadcase frame
2011-10-25 19:08:24 +05:30
integer(pInt) :: i,j,k,l,m,n,o,p
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_rotate_forward3333= 0.0_pReal
some small improvements regarding the rotation of the loadcase frame
2011-10-25 19:08:24 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do i = 1_pInt,3_pInt; do j = 1_pInt,3_pInt; do k = 1_pInt,3_pInt; do l = 1_pInt,3_pInt
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt; do p = 1_pInt,3_pInt
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
math_rotate_forward3333(i,j,k,l) = tensor(i,j,k,l)+rot_tensor(m,i)*rot_tensor(n,j)*&
some small improvements regarding the rotation of the loadcase frame
2011-10-25 19:08:24 +05:30
rot_tensor(o,k)*rot_tensor(p,l)*tensor(m,n,o,p)
enddo; enddo; enddo; enddo; enddo; enddo; enddo; enddo
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end function math_rotate_forward3333
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
#ifdef Spectral
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates curl field using differentation in Fourier space
!--------------------------------------------------------------------------------------------------
function math_curlFFT(geomdim,field)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use IO, only: IO_error
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
use numerics, only: fftw_timelimit, fftw_planner_flag
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use debug, only: debug_math, &
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
debug_level, &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
debug_levelBasic
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
! input variables
real(pReal), intent(in), dimension(3) :: geomdim
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: field
! function
real(pReal), dimension(size(field,1),size(field,2),size(field,3),size(field,4),size(field,5)) :: math_curlFFT
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! variables with dimension depending on input
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), dimension(size(field,1)/2_pInt+1_pInt,size(field,2),size(field,3),3) :: xi
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
! allocatable arrays for fftw c routines
type(C_PTR) :: fftw_forth, fftw_back
type(C_PTR) :: field_fftw, curl_fftw
real(pReal), dimension(:,:,:,:,:), pointer :: field_real
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
complex(pReal), dimension(:,:,:,:,:), pointer :: field_fourier
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
real(pReal), dimension(:,:,:,:,:), pointer :: curl_real
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
complex(pReal), dimension(:,:,:,:,:), pointer :: curl_fourier
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
integer(pInt) i, j, k, l, res1_red
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt), dimension(3) :: k_s,res
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
real(pReal) :: wgt
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt) :: vec_tens
res = [size(field,1),size(field,2),size(field,3)]
vec_tens = size(field,4)
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) call IO_error(0_pInt, &
ext_msg = 'Curl: invalid data dimension')
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
if (iand(debug_level(debug_math),debug_levelBasic) /= 0_pInt) then
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
if (vec_tens == 1_pInt) print*, 'Calculating curl of vector field'
if (vec_tens == 3_pInt) print*, 'Calculating curl of tensor field'
removed implicit type castings
2012-02-10 16:54:53 +05:30
print '(a,3(e12.5))', ' Dimension: ', geomdim
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
print '(a,3(i5))', ' Resolution:', res
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
endif
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
call fftw_set_timelimit(fftw_timelimit)
field_fftw = fftw_alloc_complex(int(res1_red *res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call c_f_pointer(field_fftw, field_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt])
call c_f_pointer(field_fftw, field_fourier,[res1_red ,res(2),res(3),vec_tens,3_pInt])
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
curl_fftw = fftw_alloc_complex(int(res1_red *res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call c_f_pointer(curl_fftw, curl_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt])
call c_f_pointer(curl_fftw, curl_fourier, [res1_red ,res(2),res(3),vec_tens,3_pInt])
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
fftw_forth = fftw_plan_many_dft_r2c(3_pInt,(/res(3),res(2) ,res(1)/),vec_tens*3_pInt,& ! dimensions , length in each dimension in reversed order
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
field_real,(/res(3),res(2) ,res(1)+2_pInt/),& ! input data , physical length in each dimension in reversed order
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
1_pInt, res(3)*res(2)*(res(1)+2_pInt),& ! striding , product of physical lenght in the 3 dimensions
field_fourier,(/res(3),res(2) ,res1_red/),&
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
1_pInt, res(3)*res(2)* res1_red,fftw_planner_flag)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
fftw_back = fftw_plan_many_dft_c2r(3_pInt,(/res(3),res(2) ,res(1)/),vec_tens*3_pInt,&
curl_fourier,(/res(3),res(2) ,res1_red/),&
1_pInt, res(3)*res(2)* res1_red,&
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
curl_real,(/res(3),res(2) ,res(1)+2_pInt/),&
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
1_pInt, res(3)*res(2)*(res(1)+2_pInt),fftw_planner_flag)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
field_real(i,j,k,1:vec_tens,1:3) = field(i,j,k,1:vec_tens,1:3) ! ensure that data is aligned properly (fftw_alloc)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
enddo; enddo; enddo
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call fftw_execute_dft_r2c(fftw_forth, field_real, field_fourier)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
!remove highest frequency in each direction
if(res(1)>1_pInt) &
field_fourier( res(1)/2_pInt+1_pInt,1:res(2) ,1:res(3) ,&
removed implicit type castings
2012-02-10 16:54:53 +05:30
1:vec_tens,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
if(res(2)>1_pInt) &
field_fourier(1:res1_red ,res(2)/2_pInt+1_pInt,1:res(3) ,&
removed implicit type castings
2012-02-10 16:54:53 +05:30
1:vec_tens,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
if(res(3)>1_pInt) &
field_fourier(1:res1_red ,1:res(2) ,res(3)/2_pInt+1_pInt,&
removed implicit type castings
2012-02-10 16:54:53 +05:30
1:vec_tens,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
do k = 1_pInt, res(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
k_s(3) = k - 1_pInt
if(k > res(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - res(3)
do j = 1_pInt, res(2)
k_s(2) = j - 1_pInt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
if(j > res(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - res(2)
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
do i = 1_pInt, res1_red
corrected curl_fft subroutine
2012-01-20 02:08:52 +05:30
k_s(1) = i - 1_pInt
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
xi(i,j,k,1:3) = real(k_s, pReal)/geomdim
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
enddo; enddo; enddo
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard. removed cut_off parameter for damask_spectral removed outpot of derived divergence measures and added RMS output in brackets added comments and options to the makefile
2012-02-16 00:28:38 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
do l = 1_pInt, vec_tens
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
curl_fourier(i,j,k,l,1) = ( field_fourier(i,j,k,l,3)*xi(i,j,k,2)&
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
-field_fourier(i,j,k,l,2)*xi(i,j,k,3) )*TWOPIIMG
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
curl_fourier(i,j,k,l,2) = (-field_fourier(i,j,k,l,3)*xi(i,j,k,1)&
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
+field_fourier(i,j,k,l,1)*xi(i,j,k,3) )*TWOPIIMG
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
curl_fourier(i,j,k,l,3) = ( field_fourier(i,j,k,l,2)*xi(i,j,k,1)&
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
-field_fourier(i,j,k,l,1)*xi(i,j,k,2) )*TWOPIIMG
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
enddo
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
enddo; enddo; enddo
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call fftw_execute_dft_c2r(fftw_back, curl_fourier, curl_real)
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
if (vec_tens == 1_pInt) then
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
math_curlFFT(i,j,k,1:1,1:3) = curl_real(i,j,k,1:1,1:3) ! ensure that data is aligned properly (fftw_alloc)
enddo; enddo; enddo
else
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
math_curlFFT(i,j,k,1:3,1:3) = math_transpose33(curl_real(i,j,k,1:3,1:3)) ! ensure that data is aligned properly (fftw_alloc)
enddo; enddo; enddo
endif
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_curlFFT = math_curlFFT * wgt
call fftw_destroy_plan(fftw_forth)
call fftw_destroy_plan(fftw_back)
call fftw_free(field_fftw)
call fftw_free(curl_fftw)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_curlFFT
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates divergence field using integration in Fourier space
!--------------------------------------------------------------------------------------------------
function math_divergenceFFT(geomdim,field)
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use IO, only: IO_error
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
use numerics, only: fftw_timelimit, fftw_planner_flag
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use debug, only: debug_math, &
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
debug_level, &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
debug_levelBasic
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), intent(in), dimension(3) :: geomdim
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: field
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
! function
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), dimension(size(field,1),size(field,2),size(field,3),size(field,4)) :: math_divergenceFFT
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
! variables with dimension depending on input
real(pReal), dimension(size(field,1)/2_pInt+1_pInt,size(field,2),size(field,3),3) :: xi
! allocatable arrays for fftw c routines
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
type(C_PTR) :: fftw_forth, fftw_back
type(C_PTR) :: field_fftw, divergence_fftw
real(pReal), dimension(:,:,:,:,:), pointer :: field_real
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
complex(pReal), dimension(:,:,:,:,:), pointer :: field_fourier
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
real(pReal), dimension(:,:,:,:), pointer :: divergence_real
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
complex(pReal), dimension(:,:,:,:), pointer :: divergence_fourier
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
integer(pInt) :: i, j, k, l, res1_red
real(pReal) :: wgt
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt), dimension(3) :: k_s, res
integer(pInt) :: vec_tens
res = [size(field,1),size(field,2),size(field,3)]
vec_tens = size(field,4)
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
if (vec_tens /= 1_pInt .and. vec_tens /= 3_pInt) call IO_error(0_pInt, &
ext_msg = 'Divergence: invalid data dimension')
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
if (iand(debug_level(debug_math),debug_levelBasic) /= 0_pInt) then
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
if (vec_tens == 1_pInt) print*, 'Calculating divergence of vector field'
if (vec_tens == 3_pInt) print*, 'Calculating divergence of tensor field'
removed implicit type castings
2012-02-10 16:54:53 +05:30
print '(a,3(e12.5))', ' Dimension: ', geomdim
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf) addCurl test is now done against analytical solution and working, added it to list of automated tests. small improvements on test.py
2012-11-23 20:46:51 +05:30
print '(a,3(i5))', ' Resolution:', res
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
endif
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
call fftw_set_timelimit(fftw_timelimit)
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
field_fftw = fftw_alloc_complex(int(res1_red*res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call c_f_pointer(field_fftw, field_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt])
call c_f_pointer(field_fftw, field_fourier, [res1_red ,res(2),res(3),vec_tens,3_pInt])
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
divergence_fftw = fftw_alloc_complex(int(res1_red*res(2)*res(3)*vec_tens,C_SIZE_T))
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
call c_f_pointer(divergence_fftw, divergence_real, [res(1)+2_pInt,res(2),res(3),vec_tens])
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call c_f_pointer(divergence_fftw, divergence_fourier,[res1_red ,res(2),res(3),vec_tens])
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
fftw_forth = fftw_plan_many_dft_r2c(3_pInt,(/res(3),res(2) ,res(1)/),vec_tens*3_pInt,& ! dimensions , length in each dimension in reversed order
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
field_real,(/res(3),res(2) ,res(1)+2_pInt/),& ! input data , physical length in each dimension in reversed order
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore. all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 23:11:27 +05:30
1_pInt, res(3)*res(2)*(res(1)+2_pInt),& ! striding , product of physical lenght in the 3 dimensions
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
field_fourier,(/res(3),res(2) ,res1_red/),&
1_pInt, res(3)*res(2)* res1_red,fftw_planner_flag)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
fftw_back = fftw_plan_many_dft_c2r(3_pInt,(/res(3),res(2) ,res(1)/),vec_tens,&
divergence_fourier,(/res(3),res(2) ,res1_red/),&
1_pInt, res(3)*res(2)* res1_red,&
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
divergence_real,(/res(3),res(2) ,res(1)+2_pInt/),&
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
1_pInt, res(3)*res(2)*(res(1)+2_pInt),fftw_planner_flag) ! padding
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
field_real(i,j,k,1:vec_tens,1:3) = field(i,j,k,1:vec_tens,1:3) ! ensure that data is aligned properly (fftw_alloc)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
enddo; enddo; enddo
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call fftw_execute_dft_r2c(fftw_forth, field_real, field_fourier)
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
do k = 1_pInt, res(3) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)
k_s(3) = k - 1_pInt
if(k > res(3)/2_pInt + 1_pInt) k_s(3) = k_s(3) - res(3)
do j = 1_pInt, res(2)
k_s(2) = j - 1_pInt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
if(j > res(2)/2_pInt + 1_pInt) k_s(2) = k_s(2) - res(2)
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 19:13:36 +05:30
do i = 1_pInt, res1_red
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
k_s(1) = i - 1_pInt
xi(i,j,k,1:3) = real(k_s, pReal)/geomdim
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
enddo; enddo; enddo
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
!remove highest frequency in each direction
if(res(1)>1_pInt) &
field_fourier( res(1)/2_pInt+1_pInt,1:res(2) ,1:res(3) ,&
removed implicit type castings
2012-02-10 16:54:53 +05:30
1:vec_tens,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
if(res(2)>1_pInt) &
field_fourier(1:res1_red ,res(2)/2_pInt+1_pInt,1:res(3) ,&
removed implicit type castings
2012-02-10 16:54:53 +05:30
1:vec_tens,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
if(res(3)>1_pInt) &
field_fourier(1:res1_red ,1:res(2) ,res(3)/2_pInt+1_pInt,&
removed implicit type castings
2012-02-10 16:54:53 +05:30
1:vec_tens,1:3) = cmplx(0.0_pReal,0.0_pReal,pReal)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res1_red
do l = 1_pInt, vec_tens
removed implicit type castings
2012-02-10 16:54:53 +05:30
divergence_fourier(i,j,k,l)=sum(field_fourier(i,j,k,l,1:3)*cmplx(xi(i,j,k,1:3),0.0_pReal,pReal))&
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
*TWOPIIMG
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 16:00:39 +05:30
enddo
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
enddo; enddo; enddo
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 21:28:15 +05:30
call fftw_execute_dft_c2r(fftw_back, divergence_fourier, divergence_real)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_divergenceFFT(i,j,k,1:vec_tens) = divergence_real(i,j,k,1:vec_tens) ! ensure that data is aligned properly (fftw_alloc)
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
enddo; enddo; enddo
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_divergenceFFT = math_divergenceFFT * wgt
call fftw_destroy_plan(fftw_forth)
call fftw_destroy_plan(fftw_back)
call fftw_free(field_fftw)
call fftw_free(divergence_fftw)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_divergenceFFT
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates divergence field using FDM with variable accuracy
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! use vec_tes to decide if tensor (3) or vector (1)
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
function math_divergenceFDM(geomdim,order,field)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
use debug, only: debug_math, &
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
debug_level, &
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
debug_levelBasic
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt), intent(in) :: order
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), intent(in), dimension(3) :: geomdim
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: field
! function
real(pReal), dimension(size(field,1),size(field,2),size(field,3),size(field,4)) :: math_divergenceFDM
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
integer(pInt), dimension(6,3) :: coordinates
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt) i, j, k, m, l, vec_tens
integer(pInt), dimension(3) :: res
real(pReal), dimension(4,4), parameter :: FDcoefficient = reshape([ &
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
1.0_pReal/2.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal,& !from http://en.wikipedia.org/wiki/Finite_difference_coefficients
2.0_pReal/3.0_pReal,-1.0_pReal/12.0_pReal, 0.0_pReal, 0.0_pReal,&
3.0_pReal/4.0_pReal,-3.0_pReal/20.0_pReal,1.0_pReal/ 60.0_pReal, 0.0_pReal,&
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
4.0_pReal/5.0_pReal,-1.0_pReal/ 5.0_pReal,4.0_pReal/105.0_pReal,-1.0_pReal/280.0_pReal],&
[4,4])
res = [size(field,1),size(field,2),size(field,3)]
vec_tens = size(field,4)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
changed variable name "debug_what" to "debug_level"
2012-07-05 15:24:50 +05:30
if (iand(debug_level(debug_math),debug_levelBasic) /= 0_pInt) then
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
print*, 'Calculating divergence of tensor/vector field using FDM'
removed implicit type castings
2012-02-10 16:54:53 +05:30
print '(a,3(e12.5))', ' Dimension: ', geomdim
print '(a,3(i5))', ' Resolution:', res
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
endif
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_divergenceFDM = 0.0_pReal
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do k = 0_pInt, res(3)-1_pInt; do j = 0_pInt, res(2)-1_pInt; do i = 0_pInt, res(1)-1_pInt
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
do m = 1_pInt, order + 1_pInt
made DAMASK to work with gfortran: -removed to long lines -restructured f2py modules and merged make_DAMASK2Python into setup processing -setup_code.py now sets library path in makefile and asks for compile switches for spectral code -substituted \ in format strings with $ restructured DAMASK_spectral: -more logical output and structure of code -better input for spectral debug parameters
2011-12-06 22:28:17 +05:30
coordinates(1,1:3) = mesh_location(mesh_index((/i+m,j,k/),(/res(1),res(2),res(3)/)),(/res(1),res(2),res(3)/))&
+ (/1_pInt,1_pInt,1_pInt/)
coordinates(2,1:3) = mesh_location(mesh_index((/i-m,j,k/),(/res(1),res(2),res(3)/)),(/res(1),res(2),res(3)/))&
+ (/1_pInt,1_pInt,1_pInt/)
coordinates(3,1:3) = mesh_location(mesh_index((/i,j+m,k/),(/res(1),res(2),res(3)/)),(/res(1),res(2),res(3)/))&
+ (/1_pInt,1_pInt,1_pInt/)
coordinates(4,1:3) = mesh_location(mesh_index((/i,j-m,k/),(/res(1),res(2),res(3)/)),(/res(1),res(2),res(3)/))&
+ (/1_pInt,1_pInt,1_pInt/)
coordinates(5,1:3) = mesh_location(mesh_index((/i,j,k+m/),(/res(1),res(2),res(3)/)),(/res(1),res(2),res(3)/))&
+ (/1_pInt,1_pInt,1_pInt/)
coordinates(6,1:3) = mesh_location(mesh_index((/i,j,k-m/),(/res(1),res(2),res(3)/)),(/res(1),res(2),res(3)/))&
+ (/1_pInt,1_pInt,1_pInt/)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do l = 1_pInt, vec_tens
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_divergenceFDM(i+1_pInt,j+1_pInt,k+1_pInt,l) = math_divergenceFDM(i+1_pInt,j+1_pInt,k+1_pInt,l) &
fixed bug in divergenceFDM
2012-08-27 21:13:17 +05:30
+ FDcoefficient(m,order+1_pInt) * &
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
((field(coordinates(1,1),coordinates(1,2),coordinates(1,3),l,1)- &
field(coordinates(2,1),coordinates(2,2),coordinates(2,3),l,1))*real(res(1),pReal)/geomdim(1) +&
(field(coordinates(3,1),coordinates(3,2),coordinates(3,3),l,2)- &
field(coordinates(4,1),coordinates(4,2),coordinates(4,3),l,2))*real(res(2),pReal)/geomdim(2) +&
(field(coordinates(5,1),coordinates(5,2),coordinates(5,3),l,3)- &
field(coordinates(6,1),coordinates(6,2),coordinates(6,3),l,3))*real(res(3),pReal)/geomdim(3))
enddo
enddo
enddo; enddo; enddo
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_divergenceFDM
!--------------------------------------------------------------------------------------------------
!> @brief Obtain the nearest neighbor in domain set for all points in querySet
!--------------------------------------------------------------------------------------------------
subroutine math_nearestNeighborSearch(spatialDim, Favg, geomdim, queryPoints, domainPoints, querySet, domainSet, indices)
use kdtree2_module
use IO, only: &
IO_error
implicit none
! input variables
integer(pInt), intent(in) :: spatialDim
real(pReal), dimension(3,3), intent(in) :: Favg
real(pReal), dimension(3), intent(in) :: geomdim
integer(pInt), intent(in) :: domainPoints
integer(pInt), intent(in) :: queryPoints
real(pReal), dimension(spatialDim,queryPoints), intent(in) :: querySet
real(pReal), dimension(spatialDim,domainPoints), intent(in) :: domainSet
! output variable
integer(pInt), dimension(queryPoints), intent(out) :: indices
! other variables depending on input
real(pReal), dimension(spatialDim,(3_pInt**spatialDim)*domainPoints) :: domainSetLarge
! other variables
integer(pInt) :: i,j, l,m,n
type(kdtree2), pointer :: tree
type(kdtree2_result), dimension(1) :: Results
if (size(querySet(:,1)) /= spatialDim) call IO_error(407_pInt,ext_msg='query set')
if (size(domainSet(:,1)) /= spatialDim) call IO_error(407_pInt,ext_msg='domain set')
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 18:57:55 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
i = 0_pInt
if(spatialDim == 2_pInt) then
do j = 1_pInt, domainPoints
do l = -1_pInt, 1_pInt; do m = -1_pInt, 1_pInt
i = i + 1_pInt
domainSetLarge(1:2,i) = domainSet(1:2,j) +matmul(Favg(1:2,1:2),real([l,m],pReal)*geomdim(1:2))
enddo; enddo
enddo
else
do j = 1_pInt, domainPoints
do l = -1_pInt, 1_pInt; do m = -1_pInt, 1_pInt; do n = -1_pInt, 1_pInt
i = i + 1_pInt
domainSetLarge(1:3,i) = domainSet(1:3,j) + math_mul33x3(Favg,real([l,m,n],pReal)*geomdim)
enddo; enddo; enddo
enddo
endif
tree => kdtree2_create(domainSetLarge,sort=.true.,rearrange=.true.)
do j = 1_pInt, queryPoints
call kdtree2_n_nearest(tp=tree, qv=querySet(1:spatialDim,j),nn=1_pInt, results = Results)
indices(j) = Results(1)%idx
enddo
indices = indices -1_pInt ! let them run from 0 to domainPoints -1
end subroutine math_nearestNeighborSearch
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
! Functions below are taken from the old postprocessingMath.f90
! mostly they are used in combination with f2py to build fortran
! they now reside in mesh.f90 and should be removed from here soon
!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
! put the next two funtions into mesh?
function mesh_location(idx,resolution)
! small helper functions for indexing
! CAREFULL, index and location runs from 0 to N-1 (python style)
integer(pInt), intent(in) :: idx
integer(pInt), intent(in), dimension(3) :: resolution
integer(pInt), dimension(3) :: mesh_location
mesh_location = (/modulo(idx/ resolution(3) / resolution(2),resolution(1)), &
modulo(idx/ resolution(3), resolution(2)), &
modulo(idx, resolution(3))/)
end function mesh_location
function mesh_index(location,resolution)
! small helper functions for indexing
! CAREFULL, index and location runs from 0 to N-1 (python style)
integer(pInt), intent(in), dimension(3) :: resolution, location
integer(pInt) :: mesh_index
mesh_index = modulo(location(3), resolution(3)) +&
(modulo(location(2), resolution(2)))*resolution(3) +&
(modulo(location(1), resolution(1)))*resolution(3)*resolution(2)
end function mesh_index
#endif
!--------------------------------------------------------------------------------------------------
!> @brief calculate average of tensor field
!--------------------------------------------------------------------------------------------------
function math_tensorAvg(field)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
! input variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: field
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! output variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), dimension(3,3) :: math_tensorAvg
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal) :: wgt
integer(pInt) :: m,n
integer(pInt), dimension(3) :: res
res = [size(field,1),size(field,2),size(field,3)]
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
wgt = 1.0_pReal/real(res(1)*res(2)*res(3), pReal)
do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_tensorAvg(m,n) = sum(field(1:res(1),1:res(2),1:res(3),m,n)) * wgt
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
enddo; enddo
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_tensorAvg
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculate logarithmic strain in spatial configuration for given F field
!--------------------------------------------------------------------------------------------------
function math_logstrainSpat(F)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
! input variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: F
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! output variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal) , dimension(size(F,1),size(F,2),size(F,3),3,3) :: math_logstrainSpat
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt), dimension(3) :: res
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), dimension(3,3) :: temp33_Real, temp33_Real2
real(pReal), dimension(3,3,3) :: eigenvectorbasis
real(pReal), dimension(3) :: eigenvalue
integer(pInt) :: i, j, k
logical :: errmatinv
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
res = [size(F,1),size(F,2),size(F,3)]
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
call math_pDecomposition(F(i,j,k,1:3,1:3),temp33_Real2,temp33_Real,errmatinv) !store R in temp33_Real
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 19:20:00 +05:30
temp33_Real2 = math_inv33(temp33_Real)
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
temp33_Real = math_mul33x33(F(i,j,k,1:3,1:3),temp33_Real2) ! v = F o inv(R), store in temp33_Real2
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call math_spectral1(temp33_Real,eigenvalue(1), eigenvalue(2), eigenvalue(3),&
eigenvectorbasis(1,1:3,1:3),eigenvectorbasis(2,1:3,1:3),eigenvectorbasis(3,1:3,1:3))
eigenvalue = log(sqrt(eigenvalue))
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_logstrainSpat(i,j,k,1:3,1:3) = eigenvalue(1)*eigenvectorbasis(1,1:3,1:3)+&
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
eigenvalue(2)*eigenvectorbasis(2,1:3,1:3)+&
eigenvalue(3)*eigenvectorbasis(3,1:3,1:3)
enddo; enddo; enddo
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_logstrainSpat
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculate logarithmic strain in material configuration for given F field
!--------------------------------------------------------------------------------------------------
function math_logstrainMat(F)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
! input variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: F
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! output variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal) , dimension(size(F,1),size(F,2),size(F,3),3,3) :: math_logstrainMat
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt), dimension(3) :: res
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal), dimension(3,3) :: temp33_Real, temp33_Real2
real(pReal), dimension(3,3,3) :: eigenvectorbasis
real(pReal), dimension(3) :: eigenvalue
integer(pInt) :: i, j, k
logical :: errmatinv
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
res = [size(F,1),size(F,2),size(F,3)]
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
call math_pDecomposition(F(i,j,k,1:3,1:3),temp33_Real,temp33_Real2,errmatinv) !store U in temp33_Real
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
call math_spectral1(temp33_Real,eigenvalue(1), eigenvalue(2), eigenvalue(3),&
eigenvectorbasis(1,1:3,1:3),eigenvectorbasis(2,1:3,1:3),eigenvectorbasis(3,1:3,1:3))
eigenvalue = log(sqrt(eigenvalue))
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
math_logstrainMat(i,j,k,1:3,1:3) = eigenvalue(1)*eigenvectorbasis(1,1:3,1:3)+&
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
eigenvalue(2)*eigenvectorbasis(2,1:3,1:3)+&
eigenvalue(3)*eigenvectorbasis(3,1:3,1:3)
enddo; enddo; enddo
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_logstrainMat
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculate cauchy stress for given PK1 stress and F field
!--------------------------------------------------------------------------------------------------
function math_cauchy(F,P)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
implicit none
! input variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: F
real(pReal), intent(in), dimension(:,:,:,:,:) :: P
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! output variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
real(pReal) , dimension(size(F,1),size(F,2),size(F,3),3,3) :: math_cauchy
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
! other variables
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
integer(pInt), dimension(3) :: res
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
real(pReal) :: jacobi
integer(pInt) :: i, j, k
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
res = [size(F,1),size(F,2),size(F,3)]
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
jacobi = math_det33(F(i,j,k,1:3,1:3))
math_cauchy(i,j,k,1:3,1:3) = matmul(P(i,j,k,1:3,1:3),transpose(F(i,j,k,1:3,1:3)))/jacobi
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
enddo; enddo; enddo
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90 f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7! changed python pre- and postprocessing scripts. If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 13:34:47 +05:30
end function math_cauchy
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly) renamed "steps" consequently to "incs" moved kdtree2 to math.f90, put original source to private folder
2012-01-13 21:48:16 +05:30
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
2012-03-09 01:55:28 +05:30
end module math