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DAMASK_EICMD/code/math.f90

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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
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-19 00:09:59 +05:30
!> @brief Mathematical library, including random number generation and tensor represenations
!--------------------------------------------------------------------------------------------------
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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 public statements to fftw functions and constants after whole math module is private now
2013-06-06 14:55:27 +05:30
private
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
real(pReal), parameter, public :: PI = 3.14159265358979323846264338327950288419716939937510_pReal !< ratio of a circle's circumference to its diameter
real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree
real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian
complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)* PI !< Re(0.0), Im(2xPi)
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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 :: &
fixed a typo in documentation
2013-09-19 01:24:39 +05:30
MATH_I3 = reshape([&
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
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,&
hickups in doxygen documentation fixed
2013-03-05 20:05:26 +05:30
1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal ] !< weighting for Mandel notation (forward)
added comments for doxygen documentation
2012-08-25 17:16:36 +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(6), parameter , public :: &
invnrmMandel = [&
1.0_pReal, 1.0_pReal, 1.0_pReal,&
hickups in doxygen documentation fixed
2013-03-05 20:05:26 +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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
public :: &
math_init, &
changed misplaced private to public statement and renamed qsort to math_qsort
2013-02-01 12:56:21 +05:30
math_qsort, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_range, &
math_identity2nd, &
math_identity4th, &
math_civita, &
math_delta, &
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_crossproduct, &
math_tensorproduct33, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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 , &
math_exp33 , &
math_transpose33, &
math_inv33, &
math_invert33, &
math_invSym3333, &
math_invert, &
math_symmetric33, &
math_symmetric66, &
math_skew33, &
added math_spherical33 to calculate hydrostatic part of a 2nd order tensor
2016-01-09 00:27:37 +05:30
math_spherical33, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_deviatoric33, &
math_equivStrain33, &
function to calculate mises stress.
2015-01-13 15:13:05 +05:30
math_equivStress33, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_trace33, &
math_det33, &
math_Plain33to9, &
math_Plain9to33, &
math_Mandel33to6, &
math_Mandel6to33, &
math_Plain3333to99, &
math_Plain99to3333, &
math_Mandel66toPlain66, &
math_Plain66toMandel66, &
math_Mandel3333to66, &
math_Mandel66to3333, &
math_Voigt66to3333, &
math_qRand, &
math_qMul, &
math_qDot, &
math_qConj, &
math_qInv, &
math_qRot, &
math_RtoEuler, &
math_RtoQ, &
math_EulerToR, &
math_EulerToQ, &
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_EulerAxisAngleToR, &
math_axisAngleToR, &
math_EulerAxisAngleToQ, &
math_axisAngleToQ, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_qToRodrig, &
math_qToEuler, &
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_qToEulerAxisAngle, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_qToAxisAngle, &
math_qToR, &
math_EulerMisorientation, &
math_sampleRandomOri, &
math_sampleGaussOri, &
math_sampleFiberOri, &
math_sampleGaussVar, &
math_symmetricEulers, &
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
math_eigenvectorBasisSym33, &
math_eigenvectorBasisSym, &
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
math_eigenValuesVectorsSym33, &
math_eigenValuesVectorsSym, &
adjusted function for polar decomposition to actual need (no return of U)
2016-01-13 03:09:31 +05:30
math_rotationalPart33, &
clearifying names
2016-02-02 17:53:45 +05:30
math_invariantsSym33, &
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
math_eigenvaluesSym33, &
added functions for factorial, binomial and multinomial coefficients
2014-08-21 14:03:55 +05:30
math_factorial, &
math_binomial, &
math_multinomial, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_volTetrahedron, &
2d elements now have a volume corresponding to a thickness of 1; used to have zero volume now also 2d elements can be used with nonlocal model
2013-04-09 23:37:30 +05:30
math_areaTriangle, &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_rotate_forward33, &
math_rotate_backward33, &
math_rotate_forward3333
private :: &
math_partition, &
halton, &
halton_memory, &
halton_ndim_set, &
halton_seed_set, &
i_to_halton, &
prime
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
only output from the root processor for parallel runs
2014-10-10 01:53:06 +05:30
use numerics, only: &
worldrank, &
fixedSeed
reporting current time for most module inits
2013-02-25 22:04:59 +05:30
use IO, only: IO_error, IO_timeStamp
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 bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
real(pReal), dimension(3) :: Eulers,v
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
updated MPI reporting in line with recent changes
2014-10-10 21:51:10 +05:30
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- math init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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"
updated MPI reporting in line with recent changes
2014-10-10 21:51:10 +05:30
endif mainProcess
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
polishing
2014-10-13 14:14:49 +05:30
mainProcess2: if (worldrank == 0) then
write(6,*) 'size of random seed: ', randSize
do i =1, randSize
write(6,*) 'value of random seed: ', i, randInit(i)
enddo
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
endif mainProcess2
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 ---
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
q = math_qRand() ! random quaternion
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 -> a -> q +++
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
axisangle = math_qToAxisAngle(q)
q2 = math_axisAngleToQ(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 +++
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
R = math_qToR(q)
q2 = math_RtoQ(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 +++
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
Eulers = math_qToEuler(q)
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
q2 = math_EulerToQ(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 +++
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
Eulers = math_RtoEuler(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
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
! +++ check rotation sense of q and R +++
q = math_qRand() ! random quaternion
call halton(3_pInt,v) ! random vector
R = math_qToR(q)
if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then
added public statements to fftw functions and constants after whole math module is private now
2013-06-06 14:55:27 +05:30
write(6,'(a,4(f8.3,1x))') 'q',q
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
call IO_error(409_pInt)
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
!--------------------------------------------------------------------------------------------------
changed misplaced private to public statement and renamed qsort to math_qsort
2013-02-01 12:56:21 +05:30
recursive subroutine math_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)
changed misplaced private to public statement and renamed qsort to math_qsort
2013-02-01 12:56:21 +05:30
call math_qsort(a, istart, ipivot-1_pInt)
call math_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
changed misplaced private to public statement and renamed qsort to math_qsort
2013-02-01 12:56:21 +05:30
end subroutine math_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
hickups in doxygen documentation fixed
2013-03-05 20:05:26 +05:30
integer(pInt), intent(in) :: N !< length of 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
integer(pInt) :: i
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
integer(pInt), dimension(N) :: math_range
introduced preprocessor statements in mesh to hide unneeded variables as a preparation for HDF5
2013-12-28 01:33:28 +05:30
math_range = [(i,i=1_pInt,N)]
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
hickups in doxygen documentation fixed
2013-03-05 20:05:26 +05:30
integer(pInt), intent(in) :: dimen !< tensor 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
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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
!--------------------------------------------------------------------------------------------------
pure function math_identity4th(dimen)
implicit none
hickups in doxygen documentation fixed
2013-03-05 20:05:26 +05:30
integer(pInt), intent(in) :: dimen !< tensor dimension
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
integer(pInt) :: i,j,k,l
real(pReal), dimension(dimen,dimen,dimen,dimen) :: math_identity4th
forall (i=1_pInt:dimen,j=1_pInt:dimen,k=1_pInt:dimen,l=1_pInt:dimen) math_identity4th(i,j,k,l) = &
0.5_pReal*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
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 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
!--------------------------------------------------------------------------------------------------
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
real(pReal) 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
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
! inspired by http://fortraninacworld.blogspot.de/2012/12/ternary-operator.html
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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
add a kronecker delta function
2008-03-27 17:24:34 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
math_delta = merge(0.0_pReal, 1.0_pReal, i /= j)
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_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
!--------------------------------------------------------------------------------------------------
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
!> @brief cross product a x b
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
pure function math_crossproduct(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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
real(pReal), dimension(3) :: math_crossproduct
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_crossproduct = [ A(2)*B(3) -A(3)*B(2), &
A(3)*B(1) -A(1)*B(3), &
A(1)*B(2) -A(2)*B(1) ]
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
end function math_crossproduct
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
!--------------------------------------------------------------------------------------------------
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
!> @brief tensor product A \otimes B of arbitrary sized vectors A and B
!--------------------------------------------------------------------------------------------------
pure function math_tensorproduct(A,B)
implicit none
real(pReal), dimension(:), intent(in) :: A,B
real(pReal), dimension(size(A,1),size(B,1)) :: math_tensorproduct
integer(pInt) :: i,j
forall (i=1_pInt:size(A,1),j=1_pInt:size(B,1)) math_tensorproduct(i,j) = A(i)*B(j)
end function math_tensorproduct
!--------------------------------------------------------------------------------------------------
!> @brief tensor product A \otimes B of leght-3 vectors A and B
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
pure function math_tensorproduct33(A,B)
added math_tensorproduct
2009-03-17 20:43:17 +05:30
implicit none
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
real(pReal), dimension(3,3) :: math_tensorproduct33
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3), 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
integer(pInt) :: i,j
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_tensorproduct33(i,j) = A(i)*B(j)
added math_tensorproduct
2009-03-17 20:43:17 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
end function math_tensorproduct33
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
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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
real(pReal), dimension(3), intent(in) :: A,B
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_mul3x3 = sum(A*B)
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +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_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
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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
real(pReal), dimension(6), intent(in) :: A,B
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_mul6x6 = sum(A*B)
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +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_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
!--------------------------------------------------------------------------------------------------
fixed al and pol solver, now checking for div(p) = curl(f) = 0
2013-08-07 22:50:05 +05:30
!> @brief matrix multiplication 33xx33 = 1 (double contraction --> ij * ij)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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
real(pReal), dimension(3,3), intent(in) :: A,B
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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) :: 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
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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
real(pReal), dimension(3,3,3,3), intent(in) :: A
real(pReal), dimension(3,3), intent(in) :: B
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
forall(i = 1_pInt:3_pInt,j = 1_pInt:3_pInt) &
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 19:38:07 +05:30
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
forall(i = 1_pInt:3_pInt,j = 1_pInt:3_pInt, k = 1_pInt:3_pInt, 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))
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 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
real(pReal), dimension(3,3) :: math_mul33x33
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3,3), intent(in) :: A,B
integer(pInt) :: i,j
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) &
math_mul33x33(i,j) = A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j)
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_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
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal), dimension(6,6) :: math_mul66x66
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(6,6), intent(in) :: A,B
integer(pInt) :: i,j
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
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
real(pReal), dimension(9,9) :: math_mul99x99
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(9,9), intent(in) :: A,B
integer(pInt) 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
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3) :: math_mul33x3
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
complex(pReal), dimension(3) :: math_mul33x3_complex
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(6) :: math_mul66x6
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
integer(pInt) :: i
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
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
order = merge(n,5_pInt,present(n))
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
B = math_I3 ! init
moved public data res,size and homog from mesh to DAMASK_spectral_utilities (as grid and geomSize)
2013-05-08 21:22:29 +05:30
invfac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2
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
do i = 1_pInt,n
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
invfac = invfac/real(i,pReal) ! invfac = 1/i!
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
B = math_mul33x33(B,A)
moved public data res,size and homog from mesh to DAMASK_spectral_utilities (as grid and geomSize)
2013-05-08 21:22:29 +05:30
math_exp33 = math_exp33 + invfac*B ! exp = SUM (A^i)/i!
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
enddo
end function math_exp33
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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_transpose33
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
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
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
math_inv33(1,1) = A(2,2) * A(3,3) - A(2,3) * A(3,2)
math_inv33(2,1) = -A(2,1) * A(3,3) + A(2,3) * A(3,1)
math_inv33(3,1) = 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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
DetA = A(1,1) * math_inv33(1,1) + A(1,2) * math_inv33(2,1) + A(1,3) * math_inv33(3,1)
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
if (abs(DetA) > tiny(DetA)) then ! use a real threshold here
math_inv33(1,2) = -A(1,2) * A(3,3) + A(1,3) * A(3,2)
math_inv33(2,2) = A(1,1) * A(3,3) - A(1,3) * A(3,1)
math_inv33(3,2) = -A(1,1) * A(3,2) + A(1,2) * A(3,1)
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
math_inv33(1,3) = A(1,2) * A(2,3) - A(1,3) * A(2,2)
math_inv33(2,3) = -A(1,1) * A(2,3) + A(1,3) * A(2,1)
math_inv33(3,3) = A(1,1) * A(2,2) - A(1,2) * A(2,1)
math_inv33 = math_inv33/DetA
else
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +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
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)
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
! direct Cramer inversion of matrix A.
! also returns determinant
! returns error if not possible, i.e. if det close to zero
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 subroutine math_invert33(A, InvA, DetA, error)
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
InvA(1,1) = A(2,2) * A(3,3) - A(2,3) * A(3,2)
InvA(2,1) = -A(2,1) * A(3,3) + A(2,3) * A(3,1)
InvA(3,1) = A(2,1) * A(3,2) - A(2,2) * A(3,1)
DetA = A(1,1) * InvA(1,1) + A(1,2) * InvA(2,1) + A(1,3) * InvA(3,1)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
comparison for zero should be abs: a == 0.0_pReal becomes abs(a) <= tiny(a) a /= 0.0_pReal becomes abs(a) > tiny(a) remove unused variables
2015-04-11 13:55:23 +05:30
if (abs(DetA) <= tiny(DetA)) then
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
InvA = 0.0_pReal
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
InvA(1,2) = -A(1,2) * A(3,3) + A(1,3) * A(3,2)
InvA(2,2) = A(1,1) * A(3,3) - A(1,3) * A(3,1)
InvA(3,2) = -A(1,1) * A(3,2) + A(1,2) * A(3,1)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
InvA(1,3) = A(1,2) * A(2,3) - A(1,3) * A(2,2)
InvA(2,3) = -A(1,1) * A(2,3) + A(1,3) * A(2,1)
InvA(3,3) = A(1,1) * A(2,2) - A(1,2) * A(2,1)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
InvA = InvA/DetA
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)
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
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
switched dNeq and dEq to relative tolerance, removed single precision (makes things complicated and was never used anyway)
2016-03-21 03:50:58 +05:30
external :: &
dgetrf, &
dgetri
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
call dgetrf(6,6,temp66_real,6,ipiv6,ierr)
call dgetri(6,temp66_real,6,ipiv6,work6,6,ierr)
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
call dgetrf(myDim,myDim,invA,myDim,ipiv,ierr)
call dgetri(myDim,InvA,myDim,ipiv,work,myDim,ierr)
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
error = merge(.true.,.false., ierr /= 0_pInt) ! http://fortraninacworld.blogspot.de/2012/12/ternary-operator.html
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
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
!--------------------------------------------------------------------------------------------------
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
pure 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
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_symmetric33 = 0.5_pReal * (m + transpose(m))
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
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
real(pReal), dimension(6,6), intent(in) :: m
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_symmetric66 = 0.5_pReal * (m + transpose(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
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
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_skew33 = m - math_symmetric33(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
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 math_spherical33 to calculate hydrostatic part of a 2nd order tensor
2016-01-09 00:27:37 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief hydrostatic part of a 33 matrix
!--------------------------------------------------------------------------------------------------
pure function math_spherical33(m)
implicit none
real(pReal), dimension(3,3) :: math_spherical33
real(pReal), dimension(3,3), intent(in) :: m
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_spherical33 = math_I3 * math_trace33(m)/3.0_pReal
added math_spherical33 to calculate hydrostatic part of a 2nd order tensor
2016-01-09 00:27:37 +05:30
end function math_spherical33
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
real(pReal), dimension(3,3) :: math_deviatoric33
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_deviatoric33 = m - math_spherical33(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
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
!--------------------------------------------------------------------------------------------------
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
!> @brief equivalent scalar quantity of a full symmetric strain 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
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
real(pReal), dimension(3) :: e,s
real(pReal) :: math_equivStrain33
real(pReal), parameter :: TWOTHIRD = 2.0_pReal/3.0_pReal
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
e = [2.0_pReal*m(1,1)-m(2,2)-m(3,3), &
2.0_pReal*m(2,2)-m(3,3)-m(1,1), &
2.0_pReal*m(3,3)-m(1,1)-m(2,2)]/3.0_pReal
s = [m(1,2),m(2,3),m(1,3)]*2.0_pReal
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
math_equivStrain33 = TWOTHIRD*(1.50_pReal*(sum(e**2.0_pReal)) + &
0.75_pReal*(sum(s**2.0_pReal)))**(0.5_pReal)
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +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_equivStrain33
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
function to calculate mises stress.
2015-01-13 15:13:05 +05:30
!--------------------------------------------------------------------------------------------------
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
!> @brief von Mises equivalent of a full symmetric stress tensor
function to calculate mises stress.
2015-01-13 15:13:05 +05:30
!--------------------------------------------------------------------------------------------------
pure function math_equivStress33(m)
implicit none
real(pReal), dimension(3,3), intent(in) :: m
real(pReal) :: math_equivStress33
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
math_equivStress33 =( ( (m(1,1)-m(2,2))**2.0_pReal + &
(m(2,2)-m(3,3))**2.0_pReal + &
(m(3,3)-m(1,1))**2.0_pReal + &
6.0_pReal*( m(1,2)**2.0_pReal + &
m(2,3)**2.0_pReal + &
m(1,3)**2.0_pReal &
) &
)**0.5_pReal &
)/sqrt(2.0_pReal)
function to calculate mises stress.
2015-01-13 15:13:05 +05:30
end function math_equivStress33
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +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
!--------------------------------------------------------------------------------------------------
big fixes
2014-10-14 09:00:59 +05:30
!> @brief trace of a 33 matrix
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
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) pure function math_trace33(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
implicit none
real(pReal), dimension(3,3), intent(in) :: m
math_trace33 = m(1,1) + m(2,2) + m(3,3)
end function math_trace33
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +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 determinant of a 33 matrix
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_det33 = m(1,1)* (m(2,2)*m(3,3)-m(2,3)*m(3,2)) &
- 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
clearifying names
2016-02-02 17:53:45 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief determinant of a symmetric 33 matrix
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_detSym33(m)
implicit none
real(pReal), dimension(3,3), intent(in) :: m
math_detSym33 = -(m(1,1)*m(2,3)**2_pInt + m(2,2)*m(1,3)**2_pInt + m(3,3)*m(1,2)**2_pInt) &
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
+ m(1,1)*m(2,2)*m(3,3) - 2.0_pReal * m(1,2)*m(1,3)*m(2,3)
clearifying names
2016-02-02 17:53:45 +05:30
end function math_detSym33
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
real(pReal), dimension(9) :: math_Plain33to9
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3,3), intent(in) :: m33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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
real(pReal), dimension(3,3) :: math_Plain9to33
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(9), intent(in) :: v9
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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
real(pReal), dimension(6) :: math_Mandel33to6
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3,3), intent(in) :: m33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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
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)
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_Mandel66toPlain66
* 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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +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_Plain66toMandel66(i,j) = nrmMandel(i) * nrmMandel(j) * m66(i,j)
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_Plain66toMandel66
* 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
real(pReal), dimension(3,3,3,3) :: math_Mandel66to3333
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(6,6), intent(in) :: m66
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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)
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +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)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +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_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
real(pReal), dimension(3,3,3,3) :: math_Voigt66to3333
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(6,6), intent(in) :: m66
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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)
vtk files are now correctly written to current working directory. updated Lib_VTK_IO.f90
2013-05-08 21:40:21 +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)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +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_Voigt66to3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief random quaternion
!--------------------------------------------------------------------------------------------------
function math_qRand()
implicit none
real(pReal), dimension(4) :: math_qRand
real(pReal), dimension(3) :: rnd
call halton(3_pInt,rnd)
vtk files are now correctly written to current working directory. updated Lib_VTK_IO.f90
2013-05-08 21:40:21 +05:30
math_qRand(1) = cos(2.0_pReal*PI*rnd(1))*sqrt(rnd(3))
math_qRand(2) = sin(2.0_pReal*PI*rnd(2))*sqrt(1.0_pReal-rnd(3))
math_qRand(3) = cos(2.0_pReal*PI*rnd(2))*sqrt(1.0_pReal-rnd(3))
math_qRand(4) = sin(2.0_pReal*PI*rnd(1))*sqrt(rnd(3))
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qRand
!--------------------------------------------------------------------------------------------------
!> @brief quaternion multiplication q1xq2 = q12
!--------------------------------------------------------------------------------------------------
pure function math_qMul(A,B)
implicit none
real(pReal), dimension(4) :: math_qMul
real(pReal), dimension(4), intent(in) :: A, B
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_qMul = [ A(1)*B(1) - A(2)*B(2) - A(3)*B(3) - A(4)*B(4), &
A(1)*B(2) + A(2)*B(1) + A(3)*B(4) - A(4)*B(3), &
A(1)*B(3) - A(2)*B(4) + A(3)*B(1) + A(4)*B(2), &
A(1)*B(4) + A(2)*B(3) - A(3)*B(2) + A(4)*B(1) ]
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qMul
!--------------------------------------------------------------------------------------------------
!> @brief quaternion dotproduct
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_qDot(A,B)
implicit none
real(pReal), dimension(4), intent(in) :: A, B
math_qDot = sum(A*B)
end function math_qDot
!--------------------------------------------------------------------------------------------------
!> @brief quaternion conjugation
!--------------------------------------------------------------------------------------------------
pure function math_qConj(Q)
implicit none
real(pReal), dimension(4) :: math_qConj
real(pReal), dimension(4), intent(in) :: Q
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_qConj = [Q(1), -Q(2:4)]
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qConj
!--------------------------------------------------------------------------------------------------
!> @brief quaternion norm
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_qNorm(Q)
implicit none
real(pReal), dimension(4), intent(in) :: Q
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_qNorm = norm2(Q)
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qNorm
!--------------------------------------------------------------------------------------------------
!> @brief quaternion inversion
!--------------------------------------------------------------------------------------------------
pure function math_qInv(Q)
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(4) :: math_qInv
real(pReal) :: squareNorm
math_qInv = 0.0_pReal
squareNorm = math_qDot(Q,Q)
comparison for zero should be abs: a == 0.0_pReal becomes abs(a) <= tiny(a) a /= 0.0_pReal becomes abs(a) > tiny(a) remove unused variables
2015-04-11 13:55:23 +05:30
if (abs(squareNorm) > tiny(squareNorm)) &
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_qInv = math_qConj(Q) / squareNorm
end function math_qInv
!--------------------------------------------------------------------------------------------------
!> @brief action of a quaternion on a vector (rotate vector v with Q)
!--------------------------------------------------------------------------------------------------
pure function math_qRot(Q,v)
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
integer(pInt) :: i, j
do i = 1_pInt,4_pInt
do j = 1_pInt,i
T(i,j) = Q(i) * Q(j)
enddo
enddo
some small iprovements: reading in geometry in mesh, readability of math, output formatting in fesolving and debug, hdf5 in constitutive
2014-05-15 14:22:16 +05:30
math_qRot = [-v(1)*(T(3,3)+T(4,4)) + v(2)*(T(3,2)-T(4,1)) + v(3)*(T(4,2)+T(3,1)), &
v(1)*(T(3,2)+T(4,1)) - v(2)*(T(2,2)+T(4,4)) + v(3)*(T(4,3)-T(2,1)), &
v(1)*(T(4,2)-T(3,1)) + v(2)*(T(4,3)+T(2,1)) - v(3)*(T(2,2)+T(3,3))]
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_qRot = 2.0_pReal * math_qRot + v
end function math_qRot
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Euler angles (in radians) from rotation matrix
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details rotation matrix is meant to represent a PASSIVE rotation,
!> composed of INTRINSIC rotations around the axes of the
!> rotating reference frame
!> (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
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_RtoEuler(R)
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 (3,3), 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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
real(pReal) :: sqhkl, squvw, sqhk
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))
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
sqhk =sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3))
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
! calculate PHI
math_RtoEuler(2) = acos(math_limit(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal))
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
fixed crash in RtoEuler for PHI=180°
2014-01-15 14:02:43 +05:30
if((math_RtoEuler(2) < 1.0e-8_pReal) .or. (pi-math_RtoEuler(2) < 1.0e-8_pReal)) then
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_RtoEuler(3) = 0.0_pReal
math_RtoEuler(1) = acos(math_limit(R(1,1)/squvw, -1.0_pReal, 1.0_pReal))
if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
else
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_RtoEuler(3) = acos(math_limit(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal))
if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3)
math_RtoEuler(1) = acos(math_limit(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal))
if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
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
!--------------------------------------------------------------------------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @brief converts a rotation matrix into a quaternion (w+ix+jy+kz)
!> @details math adopted from http://arxiv.org/pdf/math/0701759v1.pdf
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
pure function math_RtoQ(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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
real(pReal), dimension(3,3), intent(in) :: R
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(4) :: absQ, math_RtoQ
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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) :: 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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_RtoQ = 0.0_pReal
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
absQ = [+ R(1,1) + R(2,2) + R(3,3), &
+ R(1,1) - R(2,2) - R(3,3), &
- R(1,1) + R(2,2) - R(3,3), &
- R(1,1) - R(2,2) + R(3,3)] + 1.0_pReal
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
largest = maxloc(absQ)
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
largestComponent: select case(largest(1))
case (1) largestComponent
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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----------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_RtoQ(2) = R(3,2) - R(2,3)
math_RtoQ(3) = R(1,3) - R(3,1)
math_RtoQ(4) = R(2,1) - R(1,2)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
case (2) largestComponent
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_RtoQ(1) = 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
!2----------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_RtoQ(3) = R(2,1) + R(1,2)
math_RtoQ(4) = R(1,3) + R(3,1)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
case (3) largestComponent
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_RtoQ(1) = R(1,3) - R(3,1)
math_RtoQ(2) = R(2,1) + R(1,2)
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
!3----------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_RtoQ(4) = R(3,2) + R(2,3)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
case (4) largestComponent
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_RtoQ(1) = R(2,1) - R(1,2)
math_RtoQ(2) = R(1,3) + R(3,1)
math_RtoQ(3) = 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
!4----------------------------------
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
end select largestComponent
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
max_absQ = 0.5_pReal * sqrt(absQ(largest(1)))
math_RtoQ = math_RtoQ * 0.25_pReal / max_absQ
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_RtoQ(largest(1)) = max_absQ
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_RtoQ
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details rotation matrix is meant to represent a PASSIVE rotation,
!> @details composed of INTRINSIC rotations around the axes of the
!> @details rotating reference frame
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
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_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))
clarified meaning of symEulers function in help
2015-06-19 12:59:01 +05:30
C = cos(Euler(2))
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
C2 = cos(Euler(3))
S1 = sin(Euler(1))
clarified meaning of symEulers function in help
2015-06-19 12:59:01 +05:30
S = sin(Euler(2))
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
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_EulerToR(1,2)=-C1*S2-S1*C2*C
math_EulerToR(1,3)=S1*S
math_EulerToR(2,1)=S1*C2+C1*S2*C
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(2,2)=-S1*S2+C1*C2*C
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_EulerToR(2,3)=-C1*S
math_EulerToR(3,1)=S2*S
math_EulerToR(3,2)=C2*S
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(3,3)=C
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_EulerToR = transpose(math_EulerToR) ! convert to passive rotation
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details quaternion is meant to represent a PASSIVE rotation,
!> @details composed of INTRINSIC rotations around the axes of the
!> @details rotating reference frame
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
pure function math_EulerToQ(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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(4) :: math_EulerToQ
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) :: 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 norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_EulerToQ= [cos(halfangles(1)+halfangles(3)) * c, &
cos(halfangles(1)-halfangles(3)) * s, &
sin(halfangles(1)-halfangles(3)) * s, &
sin(halfangles(1)+halfangles(3)) * c ]
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_EulerToQ
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details rotation matrix is meant to represent a ACTIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details formula for active rotation taken from http://mathworld.wolfram.com/RodriguesRotationFormula.html
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
real(pReal), dimension(3,3) :: 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
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega
real(pReal), dimension(3) :: axisNrm
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_axisAngleToR(1,1) = c + c1*axisNrm(1)**2.0_pReal
math_axisAngleToR(1,2) = -s*axisNrm(3) + c1*axisNrm(1)*axisNrm(2)
math_axisAngleToR(1,3) = s*axisNrm(2) + c1*axisNrm(1)*axisNrm(3)
math_axisAngleToR(2,1) = s*axisNrm(3) + c1*axisNrm(2)*axisNrm(1)
math_axisAngleToR(2,2) = c + c1*axisNrm(2)**2.0_pReal
math_axisAngleToR(2,3) = -s*axisNrm(1) + c1*axisNrm(2)*axisNrm(3)
math_axisAngleToR(3,1) = -s*axisNrm(2) + c1*axisNrm(3)*axisNrm(1)
math_axisAngleToR(3,2) = s*axisNrm(1) + c1*axisNrm(3)*axisNrm(2)
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_axisAngleToR = math_I3
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
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
end function math_axisAngleToR
!--------------------------------------------------------------------------------------------------
!> @brief rotation matrix from axis and angle (in radians)
!> @details rotation matrix is meant to represent a PASSIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!--------------------------------------------------------------------------------------------------
pure function math_EulerAxisAngleToR(axis,omega)
implicit none
real(pReal), dimension(3,3) :: math_EulerAxisAngleToR
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: 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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_EulerAxisAngleToR = transpose(math_axisAngleToR(axis,omega)) ! convert to passive rotation
end function math_EulerAxisAngleToR
!--------------------------------------------------------------------------------------------------
!> @brief quaternion (w+ix+jy+kz) from Euler axis and angle (in radians)
!> @details quaternion is meant to represent a PASSIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details formula for active rotation taken from
!> @details http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
!--------------------------------------------------------------------------------------------------
pure function math_EulerAxisAngleToQ(axis,omega)
implicit none
real(pReal), dimension(4) :: math_EulerAxisAngleToQ
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_EulerAxisAngleToQ = math_qConj(math_axisAngleToQ(axis,omega)) ! convert to passive rotation
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
end function math_EulerAxisAngleToQ
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details quaternion is meant to represent an ACTIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details formula for active rotation taken from
!> @details http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
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
!--------------------------------------------------------------------------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
pure function math_axisAngleToQ(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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
real(pReal), dimension(4) :: math_axisAngleToQ
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
real(pReal) :: norm
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))
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
rotation: if (norm > 1.0e-8_pReal) then
axisNrm = axis/norm ! normalize axis to be sure
math_axisAngleToQ = [cos(0.5_pReal*omega), sin(0.5_pReal*omega) * axisNrm(1:3)]
else rotation
math_axisAngleToQ = [1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal]
endif rotation
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
end function math_axisAngleToQ
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details taken from http://arxiv.org/pdf/math/0701759v1.pdf
fixed a typo in documentation
2013-09-19 01:24:39 +05:30
!> @details see also http://en.wikipedia.org/wiki/Rotation_formalisms_in_three_dimensions
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
pure function math_qToR(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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
real(pReal), dimension(4), intent(in) :: q
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3,3) :: math_qToR, 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) &
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
T(i,j) = q(i+1_pInt) * q(j+1_pInt)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
S = reshape( [0.0_pReal, -q(4), q(3), &
q(4), 0.0_pReal, -q(2), &
fixed a typo in documentation
2013-09-19 01:24:39 +05:30
-q(3), q(2), 0.0_pReal],[3,3]) ! notation is transposed
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_qToR = (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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qToR
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details quaternion is meant to represent a PASSIVE rotation,
!> @details composed of INTRINSIC rotations around the axes of the
!> @details rotating reference frame
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
pure function math_qToEuler(qPassive)
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
real(pReal), dimension(4), intent(in) :: qPassive
real(pReal), dimension(4) :: q
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3) :: math_qToEuler
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
q = math_qConj(qPassive) ! convert to active rotation, since formulas are defined for active rotations
math_qToEuler(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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
if (abs(math_qToEuler(2)) < 1.0e-6_pReal) then
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_qToEuler(1) = sign(2.0_pReal*acos(math_limit(q(1),-1.0_pReal, 1.0_pReal)),q(4))
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_qToEuler(3) = 0.0_pReal
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
else
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
math_qToEuler(1) = atan2(q(1)*q(3)+q(2)*q(4), q(1)*q(2)-q(3)*q(4))
math_qToEuler(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
endif
ensure positive eulerangles in math_QuaternionToEuler
2010-03-19 21:41:53 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_qToEuler = merge(math_qToEuler + [2.0_pReal*PI, PI, 2.0_pReal*PI], & ! ensure correct range
math_qToEuler, math_qToEuler<0.0_pReal)
ensure positive eulerangles in math_QuaternionToEuler
2010-03-19 21:41:53 +05:30
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qToEuler
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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!> @details quaternion is meant to represent an ACTIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details formula for active rotation taken from
!> @details http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
pure function math_qToAxisAngle(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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(4) :: math_qToAxisAngle
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?
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_qToAxisAngle = 0.0_pReal
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
else
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_qToAxisAngle= [ Q(2:4)/sinHalfAngle, 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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qToAxisAngle
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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief Euler axis-angle (x, y, z, ang in radians) from quaternion (w+ix+jy+kz)
!> @details quaternion is meant to represent a PASSIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!--------------------------------------------------------------------------------------------------
pure function math_qToEulerAxisAngle(qPassive)
implicit none
real(pReal), dimension(4), intent(in) :: qPassive
real(pReal), dimension(4) :: q
real(pReal), dimension(4) :: math_qToEulerAxisAngle
q = math_qConj(qPassive) ! convert to active rotation
math_qToEulerAxisAngle = math_qToAxisAngle(q)
end function math_qToEulerAxisAngle
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)
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
pure function math_qToRodrig(Q)
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
use prec, only: &
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
DAMASK_NaN, &
tol_math_check
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal), dimension(3) :: math_qToRodrig
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
math_qToRodrig = merge(Q(2:4)/Q(1),DAMASK_NaN,abs(Q(1)) > tol_math_check) ! NaN for 180 deg since Rodrig is unbound
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
end function math_qToRodrig
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
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) :: 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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
tr = (math_trace33(r)-1.0_pReal)*0.4999999_pReal
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 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
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)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_sampleRandomOri = [rnd(1)*2.0_pReal*PI, &
acos(2.0_pReal*rnd(2)-1.0_pReal), &
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)
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
use prec, only: &
tol_math_check
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
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
real(pReal), intent(in) :: noise
real(pReal), dimension(3), intent(in) :: center
real(pReal) :: cosScatter,scatter
real(pReal), dimension(3) :: math_sampleGaussOri, disturb
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
real(pReal), dimension(3), parameter :: ORIGIN = [0.0_pReal,0.0_pReal,0.0_pReal]
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(5) :: rnd
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
integer(pInt) :: i
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
if (abs(noise) < tol_math_check) then
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
math_sampleGaussOri = center
return
endif
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +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
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]
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
disturb = [ scatter * rnd(1), & ! phi1
sign(1.0_pReal,rnd(2))*acos(cosScatter+(1.0_pReal-cosScatter)*rnd(4)), & ! Phi
scatter * rnd(2)] ! phi2
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +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)
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
use prec, only: &
tol_math_check
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
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
integer(pInt), dimension(2,3), parameter :: ROTMAP = reshape([2_pInt,3_pInt,&
3_pInt,1_pInt,&
1_pInt,2_pInt],[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
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
fiberInC = [ sin(alpha(1))*cos(alpha(2)) , &
sin(alpha(1))*sin(alpha(2)), &
cos(alpha(1))]
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! fiber axis in sample coordinate system
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
fiberInS = [ sin(beta(1))*cos(beta(2)), &
sin(beta(1))*sin(beta(2)), &
cos(beta(1))]
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! ---# 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))
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
if(abs(angle) > tol_math_check) then
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! rotation axis between sample and crystal system (cross product)
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +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))
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
oRot = math_EulerAxisAngleToR(math_crossproduct(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)
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
fRot = math_EulerAxisAngleToR(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)
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
if (abs(fiberInS(3)) > tol_math_check) 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)
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
else if(abs(fiberInS(2)) > tol_math_check) 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)
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
else if(abs(fiberInS(1)) > tol_math_check) 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
Fixed bug in math rotations: passive and active rotations were not clearly distinguished and partly mixed up; yet, luckily, only resulted in wrong output of euler angles. Now fixed with following convention: Rotation conversions do not switch implicitly from active to passive or vice versa EXCEPT when converting to or from any "Euler" type (Euler angles or Euler axis/angles). Those functions expect a passive rotation as input if converting to Euler type and return a passive rotation if converting from Euler type.
2013-06-06 00:40:37 +05:30
pRot = math_EulerAxisAngleToR(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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief draw a random sample from Gauss variable
!--------------------------------------------------------------------------------------------------
real(pReal) function math_sampleGaussVar(meanvalue, stddev, width)
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
use prec, only: &
tol_math_check
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
implicit none
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
real(pReal), dimension(2) :: rnd ! random numbers
real(pReal) :: scatter, & ! normalized scatter around meanvalue
myWidth
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
if (abs(stddev) < tol_math_check) then
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
math_sampleGaussVar = meanvalue
return
endif
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
myWidth = merge(width,3.0_pReal,present(width)) ! use +-3*sigma as default value for scatter if not given
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
do
call halton(2_pInt, rnd)
scatter = myWidth * (2.0_pReal * rnd(1) - 1.0_pReal)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) exit ! test if scattered value is drawn
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
enddo
math_sampleGaussVar = scatter * stddev
end function math_sampleGaussVar
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
clarified meaning of symEulers function in help
2015-06-19 12:59:01 +05:30
!> @brief symmetrically equivalent Euler angles for given sample symmetry 1:triclinic, 2:monoclinic, 4:orthotropic
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_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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_symmetricEulers(1,1) = PI+Euler(1)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
math_symmetricEulers(2,1) = Euler(2)
math_symmetricEulers(3,1) = Euler(3)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_symmetricEulers(1,2) = PI-Euler(1)
math_symmetricEulers(2,2) = PI-Euler(2)
math_symmetricEulers(3,2) = PI+Euler(3)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_symmetricEulers(1,3) = 2.0_pReal*PI-Euler(1)
math_symmetricEulers(2,3) = PI-Euler(2)
math_symmetricEulers(3,3) = PI+Euler(3)
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
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
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
!> @brief eigenvalues and eigenvectors of symmetric matrix m
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
subroutine math_eigenValuesVectorsSym(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
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
real(pReal), dimension(:,:), intent(in) :: m
real(pReal), dimension(size(m,1)), intent(out) :: values
real(pReal), dimension(size(m,1),size(m,1)), intent(out) :: vectors
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 18:56:00 +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
integer(pInt) :: info
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
real(pReal), dimension((64+2)*size(m,1)) :: work ! block size of 64 taken from http://www.netlib.org/lapack/double/dsyev.f
switched dNeq and dEq to relative tolerance, removed single precision (makes things complicated and was never used anyway)
2016-03-21 03:50:58 +05:30
external :: &
dsyev
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
vectors = m ! copy matrix to input (doubles as output) array
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
call dsyev('V','U',size(m,1),vectors,size(m,1),values,work,(64+2)*size(m,1),info)
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
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
end subroutine math_eigenValuesVectorsSym
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
!--------------------------------------------------------------------------------------------------
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
!> @brief eigenvalues and eigenvectors of symmetric 33 matrix m using an analytical expression
!> and the general LAPACK powered version for arbritrary sized matrices as fallback
!> @author Joachim Kopp, Max–Planck–Institut für Kernphysik, Heidelberg (Copyright (C) 2006)
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @details See http://arxiv.org/abs/physics/0610206 (DSYEVH3)
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
!--------------------------------------------------------------------------------------------------
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
subroutine math_eigenValuesVectorsSym33(m,values,vectors)
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
implicit none
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +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
real(pReal) :: T, U, norm, threshold
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
logical :: error
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
values = math_eigenvaluesSym33(m)
vectors(1:3,2) = [ m(1, 2) * m(2, 3) - m(1, 3) * m(2, 2), &
m(1, 3) * m(1, 2) - m(2, 3) * m(1, 1), &
m(1, 2)**2_pInt]
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
T = maxval(abs(values))
U = max(T, T**2_pInt)
threshold = sqrt(5.68e-14_pReal * U**2_pInt)
! Calculate first eigenvector by the formula v[0] = (m - lambda[0]).e1 x (m - lambda[0]).e2
vectors(1:3,1) = [ vectors(1,2) + m(1, 3) * values(1), &
vectors(2,2) + m(2, 3) * values(1), &
(m(1,1) - values(1)) * (m(2,2) - values(1)) - vectors(3,2)]
norm = norm2(vectors(1:3, 1))
fallback1: if(norm < threshold) then
call math_eigenValuesVectorsSym(m,values,vectors,error)
return
endif fallback1
vectors(1:3,1) = vectors(1:3, 1) / norm
! Calculate second eigenvector by the formula v[1] = (m - lambda[1]).e1 x (m - lambda[1]).e2
vectors(1:3,2) = [ vectors(1,2) + m(1, 3) * values(2), &
vectors(2,2) + m(2, 3) * values(2), &
(m(1,1) - values(2)) * (m(2,2) - values(2)) - vectors(3,2)]
norm = norm2(vectors(1:3, 2))
fallback2: if(norm < threshold) then
call math_eigenValuesVectorsSym(m,values,vectors,error)
return
endif fallback2
vectors(1:3,2) = vectors(1:3, 2) / norm
! Calculate third eigenvector according to v[2] = v[0] x v[1]
vectors(1:3,3) = math_crossproduct(vectors(1:3,1),vectors(1:3,2))
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
end subroutine math_eigenValuesVectorsSym33
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
!--------------------------------------------------------------------------------------------------
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
!> @brief eigenvector basis of symmetric matrix m
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
!--------------------------------------------------------------------------------------------------
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
function math_eigenvectorBasisSym(m)
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
implicit none
real(pReal), dimension(:,:), intent(in) :: m
real(pReal), dimension(size(m,1)) :: values
real(pReal), dimension(size(m,1),size(m,1)) :: vectors
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
real(pReal), dimension(size(m,1),size(m,1)) :: math_eigenvectorBasisSym
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
logical :: error
integer(pInt) :: i
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
math_eigenvectorBasisSym = 0.0_pReal
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
call math_eigenValuesVectorsSym(m,values,vectors,error)
if(error) return
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
do i=1_pInt, size(m,1)
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
math_eigenvectorBasisSym = math_eigenvectorBasisSym &
+ sqrt(values(i)) * math_tensorproduct(vectors(:,i),vectors(:,i))
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
enddo
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
end function math_eigenvectorBasisSym
re-introduced special eigenvalues routine for 3x3 matrices
2016-01-31 16:55:26 +05:30
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
!--------------------------------------------------------------------------------------------------
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
!> @brief eigenvector basis of symmetric 33 matrix m
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
!--------------------------------------------------------------------------------------------------
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
function math_eigenvectorBasisSym33(m)
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
implicit none
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
real(pReal), dimension(3,3) :: math_eigenvectorBasisSym33
real(pReal), dimension(3) :: invariants, values
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
real(pReal), dimension(3,3), intent(in) :: m
further simpilifcations
2016-02-27 00:07:10 +05:30
real(pReal) :: P, Q, rho, phi
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
real(pReal), parameter :: TOL=1.e-14_pReal
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
real(pReal), dimension(3,3,3) :: N, EB
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
invariants = math_invariantsSym33(m)
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
EB = 0.0_pReal
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
P = invariants(2)-invariants(1)**2.0_pReal/3.0_pReal
Q = -2.0_pReal/27.0_pReal*invariants(1)**3.0_pReal+product(invariants(1:2))/3.0_pReal-invariants(3)
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
threeSimilarEigenvalues: if(all(abs([P,Q]) < TOL)) then
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
values = invariants(1)/3.0_pReal
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
! this is not really correct, but at least the basis is correct
EB(1,1,1)=1.0_pReal
EB(2,2,2)=1.0_pReal
EB(3,3,3)=1.0_pReal
else threeSimilarEigenvalues
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
some more simplifications
2016-02-26 22:21:34 +05:30
values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
[cos(phi/3.0_pReal), &
cos((phi+2.0_pReal*PI)/3.0_pReal), &
cos((phi+4.0_pReal*PI)/3.0_pReal) &
] + invariants(1)/3.0_pReal
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
N(1:3,1:3,1) = m-values(1)*math_I3
N(1:3,1:3,2) = m-values(2)*math_I3
N(1:3,1:3,3) = m-values(3)*math_I3
twoSimilarEigenvalues: if(abs(values(1)-values(2)) < TOL) then
EB(1:3,1:3,3)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,2))/ &
((values(3)-values(1))*(values(3)-values(2)))
EB(1:3,1:3,1)=math_I3-EB(1:3,1:3,3)
elseif(abs(values(2)-values(3)) < TOL) then twoSimilarEigenvalues
EB(1:3,1:3,1)=math_mul33x33(N(1:3,1:3,2),N(1:3,1:3,3))/ &
((values(1)-values(2))*(values(1)-values(3)))
EB(1:3,1:3,2)=math_I3-EB(1:3,1:3,1)
elseif(abs(values(3)-values(1)) < TOL) then twoSimilarEigenvalues
EB(1:3,1:3,2)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,3))/ &
((values(2)-values(1))*(values(2)-values(3)))
EB(1:3,1:3,1)=math_I3-EB(1:3,1:3,2)
else twoSimilarEigenvalues
EB(1:3,1:3,1)=math_mul33x33(N(1:3,1:3,2),N(1:3,1:3,3))/ &
((values(1)-values(2))*(values(1)-values(3)))
EB(1:3,1:3,2)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,3))/ &
((values(2)-values(1))*(values(2)-values(3)))
EB(1:3,1:3,3)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,2))/ &
((values(3)-values(1))*(values(3)-values(2)))
endif twoSimilarEigenvalues
endif threeSimilarEigenvalues
math_eigenvectorBasisSym33 = sqrt(values(1)) * EB(1:3,1:3,1) &
+ sqrt(values(2)) * EB(1:3,1:3,2) &
+ sqrt(values(3)) * EB(1:3,1:3,3)
end function math_eigenvectorBasisSym33
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
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
!--------------------------------------------------------------------------------------------------
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
!> @brief rotational part from polar decomposition of 33 tensor m
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
!--------------------------------------------------------------------------------------------------
adjusted function for polar decomposition to actual need (no return of U)
2016-01-13 03:09:31 +05:30
function math_rotationalPart33(m)
use IO, only: &
IO_warning
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
implicit none
adjusted function for polar decomposition to actual need (no return of U)
2016-01-13 03:09:31 +05:30
real(pReal), intent(in), dimension(3,3) :: m
real(pReal), dimension(3,3) :: math_rotationalPart33
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
real(pReal), dimension(3,3) :: U , Uinv
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
U = math_eigenvectorBasisSym33(math_mul33x33(transpose(m),m))
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
Uinv = math_inv33(U)
plasticity test (phenoplus) working again with changed polar decomposition
2016-02-26 20:06:24 +05:30
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
if (all(abs(Uinv) <= tiny(Uinv))) then ! math_inv33 returns zero when failed, avoid floating point equality comparison
adjusted function for polar decomposition to actual need (no return of U)
2016-01-13 03:09:31 +05:30
math_rotationalPart33 = math_I3
call IO_warning(650_pInt)
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
else
adjusted function for polar decomposition to actual need (no return of U)
2016-01-13 03:09:31 +05:30
math_rotationalPart33 = math_mul33x33(m,Uinv)
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
endif
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
adjusted function for polar decomposition to actual need (no return of U)
2016-01-13 03:09:31 +05:30
end function math_rotationalPart33
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
!--------------------------------------------------------------------------------------------------
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
!> @brief Eigenvalues of symmetric matrix m
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
! will return NaN on error
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
function math_eigenvaluesSym(m)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
use prec, only: &
DAMASK_NaN
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
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
real(pReal), dimension(:,:), intent(in) :: m
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
real(pReal), dimension(size(m,1)) :: math_eigenvaluesSym
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
real(pReal), dimension(size(m,1),size(m,1)) :: vectors
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
integer(pInt) :: info
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
real(pReal), dimension((64+2)*size(m,1)) :: work ! block size of 64 taken from http://www.netlib.org/lapack/double/dsyev.f
switched dNeq and dEq to relative tolerance, removed single precision (makes things complicated and was never used anyway)
2016-03-21 03:50:58 +05:30
external :: &
dsyev
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
generalized dimension of calls to lapack, for performance reason special 3x3 variants will follow
2016-01-12 16:30:23 +05:30
vectors = m ! copy matrix to input (doubles as output) array
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
call dsyev('N','U',size(m,1),vectors,size(m,1),math_eigenvaluesSym,work,(64+2)*size(m,1),info)
if (info /= 0_pInt) math_eigenvaluesSym = DAMASK_NaN
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
end function math_eigenvaluesSym
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
old version removed in rev 6896521bf2, seems to be more stable
2016-02-02 13:39:07 +05:30
analytic expression for eigenvalues of 3x3 matrix
2016-02-01 12:18:42 +05:30
!--------------------------------------------------------------------------------------------------
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
!> @brief eigenvalues of symmetric 33 matrix m using an analytical expression
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @details similar to http://arxiv.org/abs/physics/0610206 (DSYEVC3)
!> but apparently more stable solution and has general LAPACK powered version for arbritrary sized
!> matrices as fallback
analytic expression for eigenvalues of 3x3 matrix
2016-02-01 12:18:42 +05:30
!--------------------------------------------------------------------------------------------------
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
function math_eigenvaluesSym33(m)
implicit none
old version removed in rev 6896521bf2, seems to be more stable
2016-02-02 13:39:07 +05:30
real(pReal), intent(in), dimension(3,3) :: m
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
real(pReal), dimension(3) :: math_eigenvaluesSym33,invariants
real(pReal) :: P, Q, rho, phi
old version removed in rev 6896521bf2, seems to be more stable
2016-02-02 13:39:07 +05:30
real(pReal), parameter :: TOL=1.e-14_pReal
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
invariants = math_invariantsSym33(m) ! invariants are coefficients in characteristic polynomial apart for the sign of c0 and c2 in http://arxiv.org/abs/physics/0610206
clearifying names
2016-02-02 17:53:45 +05:30
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
P = invariants(2)-invariants(1)**2.0_pReal/3.0_pReal ! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
Q = -2.0_pReal/27.0_pReal*invariants(1)**3.0_pReal+product(invariants(1:2))/3.0_pReal-invariants(3)! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
simplified and got MPI Heidelberg solution for eigenvalues/vectors back
2016-02-27 00:51:47 +05:30
if(all(abs([P,Q]) < TOL)) then
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
math_eigenvaluesSym33 = math_eigenvaluesSym(m)
old version removed in rev 6896521bf2, seems to be more stable
2016-02-02 13:39:07 +05:30
else
rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
old version removed in rev 6896521bf2, seems to be more stable
2016-02-02 13:39:07 +05:30
math_eigenvaluesSym33 = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
[cos(phi/3.0_pReal), &
LAPACK version as backup when analytic eigenvalues fail
2016-02-02 23:29:04 +05:30
cos((phi+2.0_pReal*PI)/3.0_pReal), &
cos((phi+4.0_pReal*PI)/3.0_pReal) &
] + invariants(1)/3.0_pReal
old version removed in rev 6896521bf2, seems to be more stable
2016-02-02 13:39:07 +05:30
endif
needed cleaning and copyright
2016-02-02 02:07:27 +05:30
end function math_eigenvaluesSym33
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
2011-12-01 17:31:13 +05:30
clearifying names
2016-02-02 17:53:45 +05:30
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
clearifying names
2016-02-02 17:53:45 +05:30
!> @brief invariants of symmetrix 33 matrix m
invariants for symmetric matrix
2016-02-02 14:14:51 +05:30
!--------------------------------------------------------------------------------------------------
pure function math_invariantsSym33(m)
implicit none
clearifying names
2016-02-02 17:53:45 +05:30
real(pReal), dimension(3,3), intent(in) :: m
invariants for symmetric matrix
2016-02-02 14:14:51 +05:30
real(pReal), dimension(3) :: math_invariantsSym33
math_invariantsSym33(1) = math_trace33(m)
clearifying names
2016-02-02 17:53:45 +05:30
math_invariantsSym33(2) = m(1,1)*m(2,2) + m(1,1)*m(3,3) + m(2,2)*m(3,3) &
-(m(1,2)**2 + m(1,3)**2 + m(2,3)**2)
math_invariantsSym33(3) = math_detSym33(m)
invariants for symmetric matrix
2016-02-02 14:14:51 +05:30
end function math_invariantsSym33
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
!> @brief computes the next element in the Halton sequence.
!> @author John Burkardt
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)
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
integer(pInt), intent(in) :: ndim !< dimension of the element
real(pReal), intent(out), dimension(ndim) :: r !< next element of the current 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
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
!--------------------------------------------------------------------------------------------------
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
!> @brief sets or returns quantities associated with the Halton sequence.
!> @details If action_halton is 'SET' and action_halton is 'BASE', then NDIM is input, and
!> @details is the number of entries in value_halton to be put into BASE.
!> @details If action_halton is 'SET', then on input, value_halton contains values to be assigned
!> @details to the internal variable.
!> @details If action_halton is 'GET', then on output, value_halton contains the values of
!> @details the specified internal variable.
!> @details If action_halton is 'INC', then on input, value_halton contains the increment to
!> @details be added to the specified internal variable.
!> @author John Burkardt
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)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
implicit none
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
character(len = *), intent(in) :: &
action_halton, & !< desired action: GET the value of a particular quantity, SET the value of a particular quantity, INC the value of a particular quantity (only for SEED)
name_halton !< name of the quantity: BASE: Halton base(s), NDIM: spatial dimension, SEED: current Halton seed
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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), 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.
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
integer(pInt), intent(in) :: ndim !< dimension of the quantity
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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
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
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +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
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +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
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +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
!--------------------------------------------------------------------------------------------------
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
!> @brief sets the dimension for a Halton sequence
!> @author John Burkardt
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)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
moved quaternion disorientation to lattice because it requires the knowledge of the lattice structure.
2014-02-28 18:58:27 +05:30
implicit none
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
integer(pInt), intent(in) :: ndim !< dimension of the Halton vectors
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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) :: 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
!--------------------------------------------------------------------------------------------------
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
!> @brief sets the seed for the Halton sequence.
!> @details Calling HALTON repeatedly returns the elements of the Halton sequence in order,
!> @details starting with element number 1.
!> @details An internal counter, called SEED, keeps track of the next element to return. Each time
!> @details is computed, and then SEED is incremented by 1.
!> @details To restart the Halton sequence, it is only necessary to reset SEED to 1. It might also
!> @details be desirable to reset SEED to some other value. This routine allows the user to specify
!> @details any value of SEED.
!> @details The default value of SEED is 1, which restarts the Halton sequence.
!> @author John Burkardt
!--------------------------------------------------------------------------------------------------
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
integer(pInt), parameter :: NDIM = 1_pInt
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
integer(pInt), intent(in) :: seed !< 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
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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
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
!--------------------------------------------------------------------------------------------------
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
!> @brief computes an element of a Halton sequence.
!> @details Only the absolute value of SEED is considered. SEED = 0 is allowed, and returns R = 0.
!> @details Halton Bases should be distinct prime numbers. This routine only checks that each base
!> @details is greater than 1.
!> @details Reference:
!> @details J.H. Halton: On the efficiency of certain quasi-random sequences of points in evaluating
!> @details multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
!> @author John Burkardt
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)
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +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
implicit none
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
integer(pInt), intent(in) :: ndim !< dimension of the sequence
integer(pInt), intent(in), dimension(ndim) :: base !< Halton bases
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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(ndim) :: base_inv
integer(pInt), dimension(ndim) :: digit
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
real(pReal), dimension(ndim), intent(out) ::r !< the SEED-th element of the Halton sequence for the given bases
integer(pInt) , intent(in):: seed !< index of the desired element
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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), 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
!--------------------------------------------------------------------------------------------------
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
!> @brief returns any of the first 1500 prime numbers.
!> @details n <= 0 returns 1500, the index of the largest prime (12553) available.
!> @details n = 0 is legal, returning PRIME = 1.
!> @details Reference:
!> @details Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
!> @details US Department of Commerce, 1964, pages 870-873.
!> @details Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
!> @details 30th Edition, CRC Press, 1996, pages 95-98.
!> @author John Burkardt
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
integer(pInt) function prime(n)
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
use IO, only: &
IO_error
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
implicit none
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
integer(pInt), intent(in) :: n !< index of the desired prime number
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
integer(pInt), save, dimension(PRIME_MAX) :: npvec
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
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
if(n < 0_pInt) then
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +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
functions not longer needed for core module. simplified some statements, removed double computation for direct matrix inversion
2015-05-05 12:07:59 +05:30
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
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +05:30
prime = -1_pInt
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
removed unused variables and declared external functions as external
2013-02-11 15:14:17 +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 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 functions for factorial, binomial and multinomial coefficients
2014-08-21 14:03:55 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief factorial
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function math_factorial(n)
implicit none
integer(pInt), intent(in) :: n
integer(pInt) :: i
fixed missing initialization of output in RGC that got lost in Rev 3452
2014-09-16 15:20:37 +05:30
math_factorial = product([(i, i=1,n)])
added functions for factorial, binomial and multinomial coefficients
2014-08-21 14:03:55 +05:30
end function math_factorial
!--------------------------------------------------------------------------------------------------
!> @brief binomial coefficient
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function math_binomial(n,k)
implicit none
integer(pInt), intent(in) :: n, k
integer(pInt) :: i, j
j = min(k,n-k)
fixed missing initialization of output in RGC that got lost in Rev 3452
2014-09-16 15:20:37 +05:30
math_binomial = product([(i, i=n, n-j+1, -1)])/math_factorial(j)
added functions for factorial, binomial and multinomial coefficients
2014-08-21 14:03:55 +05:30
end function math_binomial
!--------------------------------------------------------------------------------------------------
!> @brief multinomial coefficient
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function math_multinomial(alpha)
implicit none
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
integer(pInt), intent(in), dimension(:) :: alpha
added functions for factorial, binomial and multinomial coefficients
2014-08-21 14:03:55 +05:30
integer(pInt) :: i
gfortran complaints: equal comparison of reals and external (MPI) functions
2015-03-29 18:24:13 +05:30
math_multinomial = 1_pInt
added functions for factorial, binomial and multinomial coefficients
2014-08-21 14:03:55 +05:30
do i = 1, size(alpha)
math_multinomial = math_multinomial*math_binomial(sum(alpha(1:i)),alpha(i))
enddo
end function math_multinomial
added comments for doxygen documentation
2012-08-25 17:16:36 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief volume of tetrahedron given by four vertices
!--------------------------------------------------------------------------------------------------
changed all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
real(pReal) 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), 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
2d elements now have a volume corresponding to a thickness of 1; used to have zero volume now also 2d elements can be used with nonlocal model
2013-04-09 23:37:30 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief area of triangle given by three vertices
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_areaTriangle(v1,v2,v3)
implicit none
real(pReal), dimension (3), intent(in) :: v1,v2,v3
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_areaTriangle = 0.5_pReal * norm2(math_crossproduct(v1-v2,v1-v3))
2d elements now have a volume corresponding to a thickness of 1; used to have zero volume now also 2d elements can be used with nonlocal model
2013-04-09 23:37:30 +05:30
end function math_areaTriangle
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
fixed bug in math_rotate_forward3333
2014-01-31 19:58:20 +05:30
math_rotate_forward3333(i,j,k,l) = math_rotate_forward3333(i,j,k,l) &
+ rot_tensor(m,i) * rot_tensor(n,j) &
* rot_tensor(o,k) * rot_tensor(p,l) * tensor(m,n,o,p)
some small improvements regarding the rotation of the loadcase frame
2011-10-25 19:08:24 +05:30
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
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 average of tensor field
!--------------------------------------------------------------------------------------------------
function math_tensorAvg(field)
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +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
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
real(pReal), dimension(3,3) :: math_tensorAvg
simplified CurlFFT and DivergenceFFT functions, and did the last changes to Utilities related to the new structure of the spectral solver
2013-03-07 01:04:30 +05:30
real(pReal), intent(in), dimension(:,:,:,:,:) :: field
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
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly. polished math.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 all remaining routines to fortran-fast arrays (geometry reconstruction etc.) changed all remaining routines in f2py to more clever determination of array size (requires f2py >= 2.0) enabled 3D visualize to work with odd resolution by switching to linear reconstruction PLEASE NOTE: Redefinition of routines for f2py might cause trouble -> DELETE DAMASK_ROOT/lib/damask/core.so in this case further changes: added pure statement where possible, polished, unified use of "Q" for "Quaternion" and reordered math to have similar routines together
2013-01-31 21:58:08 +05:30
wgt = 1.0_pReal/real(size(field,3)*size(field,4)*size(field,5), pReal)
math_tensorAvg = sum(sum(sum(field,dim=5),dim=4),dim=3)*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
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
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief limits a scalar value to a certain range (either one or two sided)
! Will return NaN if left > right
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_limit(a, left, right)
use prec, only: &
DAMASK_NaN
implicit none
real(pReal), intent(in) :: a
real(pReal), intent(in), optional :: left, right
math_limit = min ( &
max (merge(left, -huge(a), present(left)), a), &
merge(right, huge(a), present(right)) &
)
if (present(left) .and. present(right)) math_limit = merge (DAMASK_NaN,math_limit, left>right)
end function math_limit
re-indroduced special spectral decomposition for 33 tensors
2016-02-26 21:05:55 +05:30
end module math