223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity
DAMASK_EICMD/code/math.f90

2971 lines
92 KiB
Fortran
Raw Normal View History

changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
2011-04-07 12:50:28 +05:30
! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! This file is part of DAMASK,
changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
2011-04-07 12:50:28 +05:30
! the Düsseldorf Advanced MAterial Simulation Kit.
added copyright text to all f90 (free) format files
2011-04-04 19:39:54 +05:30
!
! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! DAMASK is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU General Public License for more details.
!
! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
!
!##############################################################
added version information to all files do NOT edit text like this: $Id: constitutive_phenopowerlaw.f90 406 2009-08-31 14:13:10Z MPIE\f.roters $
2009-08-31 20:39:15 +05:30
!* $Id$
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!##############################################################
MODULE math
!##############################################################
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal,pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
changed pi added math_invert3x3 and math_invert6x6
2007-03-26 18:20:04 +05:30
real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
real(pReal), parameter :: inDeg = 180.0_pReal/pi
real(pReal), parameter :: inRad = pi/180.0_pReal
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
real(pReal), dimension(3), parameter :: NaN = & ! taken from http://ftp.aset.psu.edu/pub/ger/fortran/hdk/nan.f90
(/B'01111111100000100000000000000000',& ! NaN
B'11111111100100010001001010101010',& ! NaN
B'11111111110000000000000000000000'/) ! 0/0
polishing of Mandel notation
2007-03-28 13:50:50 +05:30
! *** 3x3 Identity ***
inserted MISSING comments and math_I3 global
2007-03-22 20:18:16 +05:30
real(pReal), dimension(3,3), parameter :: math_I3 = &
reshape( (/ &
1.0_pReal,0.0_pReal,0.0_pReal, &
0.0_pReal,1.0_pReal,0.0_pReal, &
0.0_pReal,0.0_pReal,1.0_pReal /),(/3,3/))
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! *** Mandel notation ***
integer(pInt), dimension (2,6), parameter :: mapMandel = &
reshape((/&
1,1, &
2,2, &
3,3, &
1,2, &
2,3, &
1,3 &
/),(/2,6/))
real(pReal), dimension(6), parameter :: nrmMandel = &
(/1.0_pReal,1.0_pReal,1.0_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal/)
real(pReal), dimension(6), parameter :: invnrmMandel = &
(/1.0_pReal,1.0_pReal,1.0_pReal,0.7071067811865476_pReal,0.7071067811865476_pReal,0.7071067811865476_pReal/)
! *** Voigt notation ***
integer(pInt), dimension (2,6), parameter :: mapVoigt = &
reshape((/&
1,1, &
2,2, &
3,3, &
2,3, &
1,3, &
1,2 &
/),(/2,6/))
real(pReal), dimension(6), parameter :: nrmVoigt = &
(/1.0_pReal,1.0_pReal,1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal/)
real(pReal), dimension(6), parameter :: invnrmVoigt = &
(/1.0_pReal,1.0_pReal,1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal/)
! *** Plain notation ***
integer(pInt), dimension (2,9), parameter :: mapPlain = &
reshape((/&
1,1, &
1,2, &
1,3, &
2,1, &
2,2, &
2,3, &
3,1, &
3,2, &
3,3 &
/),(/2,9/))
polishing of Mandel notation
2007-03-28 13:50:50 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +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
! Symmetry operations as quaternions
! 24 for cubic, 12 for hexagonal = 36
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
integer(pInt), dimension(2), parameter :: math_NsymOperations = (/24,12/)
real(pReal), dimension(4,36), parameter :: math_symOperations = &
- 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
reshape((/&
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! cubic symmetry operations
0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal, & ! 2-fold symmetry
0.0_pReal, 0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
0.0_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, -0.7071067811865476_pReal, &
0.0_pReal, -0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
0.0_pReal, 0.7071067811865476_pReal, -0.7071067811865476_pReal, 0.0_pReal, &
0.5_pReal, 0.5_pReal, 0.5_pReal, 0.5_pReal, & ! 3-fold symmetry
-0.5_pReal, 0.5_pReal, 0.5_pReal, 0.5_pReal, &
0.5_pReal, -0.5_pReal, 0.5_pReal, 0.5_pReal, &
-0.5_pReal, -0.5_pReal, 0.5_pReal, 0.5_pReal, &
0.5_pReal, 0.5_pReal, -0.5_pReal, 0.5_pReal, &
-0.5_pReal, 0.5_pReal, -0.5_pReal, 0.5_pReal, &
0.5_pReal, 0.5_pReal, 0.5_pReal, -0.5_pReal, &
-0.5_pReal, 0.5_pReal, 0.5_pReal, -0.5_pReal, &
0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, & ! 4-fold symmetry
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, &
-0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, &
0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
-0.7071067811865476_pReal, 0.0_pReal, 0.7071067811865476_pReal, 0.0_pReal, &
0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal, &
-0.7071067811865476_pReal, 0.0_pReal, 0.0_pReal, 0.7071067811865476_pReal, &
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
corrected symmetry operations for hex.
2010-04-12 13:34:26 +05:30
0.0_pReal, 0.5_pReal, 0.866025403784439_pReal, 0.0_pReal, &
0.0_pReal, -0.5_pReal, 0.866025403784439_pReal, 0.0_pReal, &
0.0_pReal, 0.866025403784439_pReal, 0.5_pReal, 0.0_pReal, &
0.0_pReal, -0.866025403784439_pReal, 0.5_pReal, 0.0_pReal, &
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, & ! 6-fold symmetry
-0.866025403784439_pReal, 0.0_pReal, 0.0_pReal, 0.5_pReal, &
0.5_pReal, 0.0_pReal, 0.0_pReal, 0.866025403784439_pReal, &
-0.5_pReal, 0.0_pReal, 0.0_pReal, 0.866025403784439_pReal, &
0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal &
/),(/4,36/))
add symmetry operators and a subroutine for misorientation calculation
2009-01-26 18:28:58 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
CONTAINS
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
added quicksort
2007-04-03 13:47:58 +05:30
!**************************************************************************
! initialization of module
!**************************************************************************
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
SUBROUTINE math_init ()
some polishing for single precision version. Now only prec and mpie_spectral are needed in different versions
2011-02-25 18:11:46 +05:30
use prec, only: pReal,pInt,tol_math_check
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down. IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90. numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number. math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number) numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 21:00:40 +05:30
use numerics, only: fixedSeed
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
use IO, only: IO_error
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output) 0 : only version infos and all from "hypela2"/"umat" 1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info 2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines 3 : basic outputs from "homogenization.f90" 4 : extensive outputs from "homogenization.f90" 5 : basic outputs from "crystallite.f90" 6 : extensive outputs from "crystallite.f90" 7 : basic outputs from the constitutive files 8 : extensive outputs from the constitutive files If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 16:01:17 +05:30
use debug, only: debug_verbosity
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +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(3,3) :: R,R2
fixed syntax errors in last commit -- hopefully no further ones...
2010-05-04 18:33:35 +05:30
real(pReal), dimension(3) :: Eulers
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(4) :: q,q2,axisangle
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
integer(pInt), dimension(8) :: randInit ! gfortran requires "8" to compile
! if recalculations of former randomness (with given seed) is necessary
! set this value back to "1" and use ifort...
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
!$OMP CRITICAL (write2out)
added version information to all files do NOT edit text like this: $Id: constitutive_phenopowerlaw.f90 406 2009-08-31 14:13:10Z MPIE\f.roters $
2009-08-31 20:39:15 +05:30
write(6,*)
write(6,*) '<<<+- math init -+>>>'
write(6,*) '$Id$'
write(6,*)
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
write(6,*) 'NaN check: ',NaN/=NaN
write(6,*)
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
!$OMP END CRITICAL (write2out)
corrected makefile, now working again without giving standard values explicitly. did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 15:41:32 +05:30
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down. IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90. numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number. math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number) numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 21:00:40 +05:30
if (fixedSeed > 0_pInt) then
randInit = fixedSeed
call random_seed(put=randInit)
else
call random_seed()
endif
crystallite and CPFEM now print/output tensors in ij notation (used to be, particularly in the t16, ji, i.e. transposed...) math reports random seed used for rnd() generation
2011-01-21 00:55:45 +05:30
call random_seed(get=randInit)
changed output/debug-level relation for two statements
2011-06-14 19:38:13 +05:30
!$OMP CRITICAL (write2out)
! this critical block did cause trouble at IWM
write(6,*) 'random seed: ',randInit(1)
write(6,*)
!$OMP END CRITICAL (write2out)
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output) 0 : only version infos and all from "hypela2"/"umat" 1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info 2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines 3 : basic outputs from "homogenization.f90" 4 : extensive outputs from "homogenization.f90" 5 : basic outputs from "crystallite.f90" 6 : extensive outputs from "crystallite.f90" 7 : basic outputs from the constitutive files 8 : extensive outputs from the constitutive files If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 16:01:17 +05:30
crystallite and CPFEM now print/output tensors in ij notation (used to be, particularly in the t16, ji, i.e. transposed...) math reports random seed used for rnd() generation
2011-01-21 00:55:45 +05:30
call halton_seed_set(randInit(1))
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
call halton_ndim_set(3)
fixed syntax errors in last commit -- hopefully no further ones...
2010-05-04 18:33:35 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
! --- check rotation dictionary ---
! +++ q -> a -> q +++
q = math_qRnd();
axisangle = math_QuaternionToAxisAngle(q);
q2 = math_AxisAngleToQuaternion(axisangle(1:3),axisangle(4))
some polishing for single precision version. Now only prec and mpie_spectral are needed in different versions
2011-02-25 18:11:46 +05:30
if ( any(abs( q-q2) > tol_math_check ) .and. &
any(abs(-q-q2) > tol_math_check ) ) &
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
call IO_error(670)
! +++ q -> R -> q +++
R = math_QuaternionToR(q);
q2 = math_RToQuaternion(R)
some polishing for single precision version. Now only prec and mpie_spectral are needed in different versions
2011-02-25 18:11:46 +05:30
if ( any(abs( q-q2) > tol_math_check ) .and. &
any(abs(-q-q2) > tol_math_check ) ) &
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
call IO_error(671)
! +++ q -> euler -> q +++
Eulers = math_QuaternionToEuler(q);
q2 = math_EulerToQuaternion(Eulers)
some polishing for single precision version. Now only prec and mpie_spectral are needed in different versions
2011-02-25 18:11:46 +05:30
if ( any(abs( q-q2) > tol_math_check ) .and. &
any(abs(-q-q2) > tol_math_check ) ) &
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
call IO_error(672)
! +++ R -> euler -> R +++
Eulers = math_RToEuler(R);
R2 = math_EulerToR(Eulers)
some polishing for single precision version. Now only prec and mpie_spectral are needed in different versions
2011-02-25 18:11:46 +05:30
if ( any(abs( R-R2) > tol_math_check ) ) &
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
call IO_error(673)
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
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
ENDSUBROUTINE 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 quicksort
2007-04-03 13:47:58 +05:30
!**************************************************************************
! Quicksort algorithm for two-dimensional integer arrays
!
! Sorting is done with respect to array(1,:)
! and keeps array(2:N,:) linked to it.
!**************************************************************************
RECURSIVE SUBROUTINE qsort(a, istart, iend)
implicit none
debugged quicksort algorithm slightly (now able to do multiple identical keys)
2007-04-04 14:19:48 +05:30
integer(pInt), dimension(:,:) :: a
added quicksort
2007-04-03 13:47:58 +05:30
integer(pInt) :: istart,iend,ipivot
if (istart < iend) then
ipivot = math_partition(a,istart, iend)
debugged quicksort algorithm slightly (now able to do multiple identical keys)
2007-04-04 14:19:48 +05:30
call qsort(a, istart, ipivot-1)
added quicksort
2007-04-03 13:47:58 +05:30
call qsort(a, ipivot+1, iend)
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
ENDSUBROUTINE qsort
added quicksort
2007-04-03 13:47:58 +05:30
!**************************************************************************
! Partitioning required for quicksort
!**************************************************************************
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
integer(pInt) function math_partition(a, istart, iend)
added quicksort
2007-04-03 13:47:58 +05:30
implicit none
debugged quicksort algorithm slightly (now able to do multiple identical keys)
2007-04-04 14:19:48 +05:30
integer(pInt), dimension(:,:) :: a
added quicksort
2007-04-03 13:47:58 +05:30
integer(pInt) :: istart,iend,d,i,j,k,x,tmp
d = size(a,1) ! 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
do j = j, istart, -1
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
if (i < j ) then ! if the indexes do not cross, exchange values
do k = 1,d
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
added quicksort
2007-04-03 13:47:58 +05:30
do k = 1,d
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
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
endfunction math_partition
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
added quicksort
2007-04-03 13:47:58 +05:30
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
!**************************************************************************
! range of integers starting at one
!**************************************************************************
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
pure function math_range(N)
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
use prec, only: pInt
implicit none
integer(pInt), intent(in) :: N
integer(pInt) i
integer(pInt), dimension(N) :: math_range
forall (i=1:N) math_range(i) = i
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
endfunction math_range
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
added quicksort
2007-04-03 13:47:58 +05:30
!**************************************************************************
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! second rank identity tensor of specified dimension
!**************************************************************************
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
pure function math_identity2nd(dimen)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
use prec, only: pReal, pInt
implicit none
- rearranged array with symmetry operations - new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously) - rendered some functions pure
2009-12-14 16:32:10 +05:30
integer(pInt), intent(in) :: dimen
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
math_identity2nd = 0.0_pReal
forall (i=1:dimen) math_identity2nd(i,i) = 1.0_pReal
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
endfunction math_identity2nd
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
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
!**************************************************************************
! permutation tensor e_ijk used for computing cross product of two tensors
! e_ijk = 1 if even permutation of ijk
! e_ijk = -1 if odd permutation of ijk
! e_ijk = 0 otherwise
!**************************************************************************
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
pure function math_civita(i,j,k) ! change its name from math_permut
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
! to math_civita <<<updated 31.07.2009>>>
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
use prec, only: pReal, pInt
implicit none
- rearranged array with symmetry operations - new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously) - rendered some functions pure
2009-12-14 16:32:10 +05:30
integer(pInt), intent(in) :: i,j,k
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
real(pReal) math_civita
include a new function epsilon_ijk, i.e., the permutation function (used to compute the cross product of two tensors)
2008-03-26 19:05:01 +05:30
List of changes/modifications: * IO.f90 :: Adding error messages for RGC homogenization * crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature * material.f90 :: Adding IO_lc in homogenization_type(Name) * debug.f90 :: Adding debbugging statement and counter for material point loop * homogenization.f90 :: Adding homogenization_RGC blocks * homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit * mpie_cpfem_marc.f90 :: Adding homogenization_RGC include * numerics.f90 :: Adding numerical parameters for RGC scheme * math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 17:32:20 +05:30
math_civita = 0.0_pReal
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
if (((i == 1).and.(j == 2).and.(k == 3)) .or. &
((i == 2).and.(j == 3).and.(k == 1)) .or. &
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
((i == 3).and.(j == 1).and.(k == 2))) math_civita = 1.0_pReal
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
if (((i == 1).and.(j == 3).and.(k == 2)) .or. &
((i == 2).and.(j == 1).and.(k == 3)) .or. &
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
((i == 3).and.(j == 2).and.(k == 1))) math_civita = -1.0_pReal
add a kronecker delta function
2008-03-27 17:24:34 +05:30
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
endfunction math_civita
add a kronecker delta function
2008-03-27 17:24:34 +05:30
!**************************************************************************
! kronecker delta function d_ij
! d_ij = 1 if i = j
! d_ij = 0 otherwise
!**************************************************************************
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
pure function math_delta(i,j)
add a kronecker delta function
2008-03-27 17:24:34 +05:30
use prec, only: pReal, pInt
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
real(pReal) math_delta
math_delta = 0.0_pReal
if (i == j) math_delta = 1.0_pReal
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
endfunction math_delta
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
!**************************************************************************
! fourth rank identity tensor of specified dimension
!**************************************************************************
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
pure function math_identity4th(dimen)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
use prec, only: pReal, pInt
implicit none
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
integer(pInt), intent(in) :: dimen
integer(pInt) i,j,k,l
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
real(pReal), dimension(dimen,dimen,dimen,dimen) :: math_identity4th
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
forall (i=1:dimen,j=1:dimen,k=1:dimen,l=1:dimen) math_identity4th(i,j,k,l) = &
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
0.5_pReal*(math_I3(i,k)*math_I3(j,k)+math_I3(i,l)*math_I3(j,k))
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
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
endfunction math_identity4th
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
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
!**************************************************************************
! vector product a x b
!**************************************************************************
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
pure function math_vectorproduct(A,B)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(3), intent(in) :: A,B
real(pReal), dimension(3) :: math_vectorproduct
math_vectorproduct(1) = A(2)*B(3)-A(3)*B(2)
math_vectorproduct(2) = A(3)*B(1)-A(1)*B(3)
math_vectorproduct(3) = A(1)*B(2)-A(2)*B(1)
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
endfunction math_vectorproduct
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
added math_tensorproduct
2009-03-17 20:43:17 +05:30
!**************************************************************************
! tensor product a \otimes b
!**************************************************************************
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
pure function math_tensorproduct(A,B)
added math_tensorproduct
2009-03-17 20:43:17 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(3), intent(in) :: A,B
real(pReal), dimension(3,3) :: math_tensorproduct
integer(pInt) i,j
forall (i=1:3,j=1:3) math_tensorproduct(i,j) = A(i)*B(j)
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
endfunction math_tensorproduct
added math_tensorproduct
2009-03-17 20:43:17 +05:30
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
!**************************************************************************
! matrix multiplication 3x3 = 1
!**************************************************************************
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
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
use prec, only: pReal, pInt
implicit none
integer(pInt) i
real(pReal), dimension(3), intent(in) :: A,B
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
real(pReal), dimension(3) :: C
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
real(pReal) math_mul3x3
forall (i=1:3) C(i) = A(i)*B(i)
math_mul3x3 = sum(C)
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
endfunction math_mul3x3
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
!**************************************************************************
! matrix multiplication 6x6 = 1
!**************************************************************************
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
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
use prec, only: pReal, pInt
implicit none
integer(pInt) i
real(pReal), dimension(6), intent(in) :: A,B
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
real(pReal), dimension(6) :: C
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
real(pReal) math_mul6x6
forall (i=1:6) C(i) = A(i)*B(i)
math_mul6x6 = sum(C)
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
endfunction math_mul6x6
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
!**************************************************************************
! matrix multiplication 33x33 = 1 (double contraction --> ij * ij)
!**************************************************************************
pure function math_mul33xx33(A,B)
use prec, only: pReal, pInt
implicit none
integer(pInt) i,j
real(pReal), dimension(3,3), intent(in) :: A,B
real(pReal), dimension(3,3) :: C
real(pReal) math_mul33xx33
forall (i=1:3,j=1:3) C(i,j) = A(i,j) * B(i,j)
math_mul33xx33 = sum(C)
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
endfunction math_mul33xx33
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 15:02:49 +05:30
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
!**************************************************************************
! matrix multiplication 3333x33 = 33 (double contraction --> ijkl *kl = ij)
!**************************************************************************
pure function math_mul3333xx33(A,B)
use prec, only: pReal, pInt
implicit none
integer(pInt) i,j
real(pReal), dimension(3,3,3,3), intent(in) :: A
real(pReal), dimension(3,3), intent(in) :: B
removed unused variables
2011-04-13 19:46:22 +05:30
real(pReal), dimension(3,3) :: math_mul3333xx33
added matrix multiplication 3333x33 to math.f90 added some parameters for spectral method to numerics.f90 (tolerance) changed error message concerning spectral method in IO.f90 corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 21:34:44 +05:30
do i = 1,3
do j = 1,3
math_mul3333xx33(i,j) = sum(A(i,j,:,:)*B(:,:))
enddo; enddo
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
endfunction 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
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
! matrix multiplication 33x33 = 3x3
corrected header for math_qRot
2010-09-30 14:16:58 +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
pure function math_mul33x33(A,B)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
use prec, only: pReal, pInt
implicit none
integer(pInt) i,j
real(pReal), dimension(3,3), intent(in) :: A,B
real(pReal), dimension(3,3) :: math_mul33x33
forall (i=1:3,j=1:3) math_mul33x33(i,j) = &
A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j)
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
endfunction math_mul33x33
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
!**************************************************************************
added math_mul6x6 and math_mul3x3 to replacce more general calls to "dot_product"
2009-03-05 20:07:59 +05:30
! matrix multiplication 66x66 = 6x6
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +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
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
use prec, only: pReal, pInt
implicit none
integer(pInt) i,j
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal), dimension(6,6), intent(in) :: A,B
real(pReal), dimension(6,6) :: math_mul66x66
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
forall (i=1:6,j=1:6) math_mul66x66(i,j) = &
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)
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
endfunction math_mul66x66
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
!**************************************************************************
! matrix multiplication 99x99 = 9x9
!**************************************************************************
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
pure function math_mul99x99(A,B)
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
use prec, only: pReal, pInt
implicit none
integer(pInt) i,j
real(pReal), dimension(9,9), intent(in) :: A,B
real(pReal), dimension(9,9) :: math_mul99x99
forall (i=1:9,j=1:9) math_mul99x99(i,j) = &
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)
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
endfunction math_mul99x99
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
!**************************************************************************
! matrix multiplication 33x3 = 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
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
use prec, only: pReal, pInt
implicit none
integer(pInt) i
real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3), intent(in) :: B
real(pReal), dimension(3) :: math_mul33x3
forall (i=1:3) math_mul33x3(i) = A(i,1)*B(1) + A(i,2)*B(2) + A(i,3)*B(3)
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
endfunction math_mul33x3
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
!**************************************************************************
! matrix multiplication complex(33) x real(3) = complex(3)
!**************************************************************************
pure function math_mul33x3_complex(A,B)
use prec, only: pReal, pInt
implicit none
integer(pInt) i
complex(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3), intent(in) :: B
complex(pReal), dimension(3) :: math_mul33x3_complex
forall (i=1:3) math_mul33x3_complex(i) = A(i,1)*B(1) + A(i,2)*B(2) + A(i,3)*B(3)
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
endfunction 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
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
! matrix multiplication 66x6 = 6
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +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
pure function math_mul66x6(A,B)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
use prec, only: pReal, pInt
implicit none
integer(pInt) i
real(pReal), dimension(6,6), intent(in) :: A
real(pReal), dimension(6), intent(in) :: B
real(pReal), dimension(6) :: math_mul66x6
forall (i=1:6) math_mul66x6(i) = &
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)
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
endfunction 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
!**************************************************************************
! random quaternion
!**************************************************************************
function math_qRnd()
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4) :: math_qRnd
real(pReal), dimension(3) :: rnd
call halton(3,rnd)
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_qRnd(1) = cos(2.0_pReal*pi*rnd(1))*sqrt(rnd(3))
math_qRnd(2) = sin(2.0_pReal*pi*rnd(2))*sqrt(1.0_pReal-rnd(3))
math_qRnd(3) = cos(2.0_pReal*pi*rnd(2))*sqrt(1.0_pReal-rnd(3))
math_qRnd(4) = sin(2.0_pReal*pi*rnd(1))*sqrt(rnd(3))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
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
endfunction math_qRnd
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +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
!**************************************************************************
! quaternion multiplication q1xq2 = q12
!**************************************************************************
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
pure function math_qMul(A,B)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: A, B
real(pReal), dimension(4) :: math_qMul
math_qMul(1) = A(1)*B(1) - A(2)*B(2) - A(3)*B(3) - A(4)*B(4)
math_qMul(2) = A(1)*B(2) + A(2)*B(1) + A(3)*B(4) - A(4)*B(3)
math_qMul(3) = A(1)*B(3) - A(2)*B(4) + A(3)*B(1) + A(4)*B(2)
math_qMul(4) = A(1)*B(4) + A(2)*B(3) - A(3)*B(2) + A(4)*B(1)
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
endfunction math_qMul
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!**************************************************************************
! quaternion dotproduct
!**************************************************************************
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
pure function math_qDot(A,B)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: A, B
real(pReal) math_qDot
math_qDot = A(1)*B(1) + A(2)*B(2) + A(3)*B(3) + A(4)*B(4)
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
endfunction math_qDot
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!**************************************************************************
! quaternion conjugation
!**************************************************************************
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
pure function math_qConj(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(4) :: math_qConj
math_qConj(1) = Q(1)
math_qConj(2:4) = -Q(2:4)
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
endfunction math_qConj
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!**************************************************************************
! quaternion 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
pure function math_qNorm(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal) math_qNorm
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_qNorm = sqrt(max(0.0_pReal, Q(1)*Q(1) + Q(2)*Q(2) + Q(3)*Q(3) + Q(4)*Q(4)))
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
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
endfunction math_qNorm
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!**************************************************************************
! quaternion inversion
!**************************************************************************
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
pure function math_qInv(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
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)
if (squareNorm > tiny(squareNorm)) &
math_qInv = math_qConj(Q) / squareNorm
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
endfunction math_qInv
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!**************************************************************************
corrected header for math_qRot
2010-09-30 14:16:58 +05:30
! action of a quaternion on a vector (rotate vector v with 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
!**************************************************************************
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
pure function math_qRot(Q,v)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
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 = 1,4
do j = 1,i
T(i,j) = Q(i) * Q(j)
enddo
enddo
math_qRot(1) = -v(1)*(T(3,3)+T(4,4)) + v(2)*(T(3,2)-T(4,1)) + v(3)*(T(4,2)+T(3,1))
math_qRot(2) = v(1)*(T(3,2)+T(4,1)) - v(2)*(T(2,2)+T(4,4)) + v(3)*(T(4,3)-T(2,1))
math_qRot(3) = v(1)*(T(4,2)-T(3,1)) + v(2)*(T(4,3)+T(2,1)) - v(3)*(T(2,2)+T(3,3))
math_qRot = 2.0_pReal * math_qRot + v
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
endfunction math_qRot
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
!**************************************************************************
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
! transposition of a 3x3 matrix
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
!**************************************************************************
- 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
pure function math_transpose3x3(A)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
use prec, only: pReal,pInt
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
implicit none
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
real(pReal),dimension(3,3),intent(in) :: A
real(pReal),dimension(3,3) :: math_transpose3x3
added dislocation multiplication to dotState in constitutive_nonlocal.f90 cleaned up debugging output statements to *.out file
2009-08-12 16:52:02 +05:30
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
added dislocation multiplication to dotState in constitutive_nonlocal.f90 cleaned up debugging output statements to *.out file
2009-08-12 16:52:02 +05:30
forall(i=1:3, j=1:3) math_transpose3x3(i,j) = A(j,i)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
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
endfunction math_transpose3x3
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
!**************************************************************************
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
! Cramer inversion of 3x3 matrix (function)
!**************************************************************************
- 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
pure function math_inv3x3(A)
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
use prec, only: pReal,pInt
implicit none
real(pReal),dimension(3,3),intent(in) :: A
real(pReal) DetA
introduced pLongInt for Long Integers
2009-03-31 14:21:14 +05:30
real(pReal),dimension(3,3) :: math_inv3x3
math_inv3x3 = 0.0_pReal
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
DetA = A(1,1) * ( A(2,2) * A(3,3) - A(2,3) * A(3,2) )&
- A(1,2) * ( A(2,1) * A(3,3) - A(2,3) * A(3,1) )&
+ A(1,3) * ( A(2,1) * A(3,2) - A(2,2) * A(3,1) )
if (DetA > tiny(DetA)) then
math_inv3x3(1,1) = ( A(2,2) * A(3,3) - A(2,3) * A(3,2) ) / DetA
math_inv3x3(2,1) = ( -A(2,1) * A(3,3) + A(2,3) * A(3,1) ) / DetA
math_inv3x3(3,1) = ( A(2,1) * A(3,2) - A(2,2) * A(3,1) ) / DetA
math_inv3x3(1,2) = ( -A(1,2) * A(3,3) + A(1,3) * A(3,2) ) / DetA
math_inv3x3(2,2) = ( A(1,1) * A(3,3) - A(1,3) * A(3,1) ) / DetA
math_inv3x3(3,2) = ( -A(1,1) * A(3,2) + A(1,2) * A(3,1) ) / DetA
math_inv3x3(1,3) = ( A(1,2) * A(2,3) - A(1,3) * A(2,2) ) / DetA
math_inv3x3(2,3) = ( -A(1,1) * A(2,3) + A(1,3) * A(2,1) ) / DetA
math_inv3x3(3,3) = ( A(1,1) * A(2,2) - A(1,2) * A(2,1) ) / DetA
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
endfunction math_inv3x3
added function (math_inv3x3) for inverting a 3x3 matrix by Cramer's methods
2009-03-31 13:01:38 +05:30
!**************************************************************************
! Cramer inversion of 3x3 matrix (subroutine)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
!**************************************************************************
- 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
PURE SUBROUTINE math_invert3x3(A, InvA, DetA, error)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Bestimmung der Determinanten und Inversen einer 3x3-Matrix
! A = Matrix A
! InvA = Inverse of A
! DetA = Determinant of A
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
! error = logical
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
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
DetA = A(1,1) * ( A(2,2) * A(3,3) - A(2,3) * A(3,2) )&
- A(1,2) * ( A(2,1) * A(3,3) - A(2,3) * A(3,1) )&
+ A(1,3) * ( A(2,1) * A(3,2) - A(2,2) * A(3,1) )
if (DetA <= tiny(DetA)) then
error = .true.
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
else
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
InvA(1,1) = ( A(2,2) * A(3,3) - A(2,3) * A(3,2) ) / DetA
InvA(2,1) = ( -A(2,1) * A(3,3) + A(2,3) * A(3,1) ) / DetA
InvA(3,1) = ( A(2,1) * A(3,2) - A(2,2) * A(3,1) ) / DetA
InvA(1,2) = ( -A(1,2) * A(3,3) + A(1,3) * A(3,2) ) / DetA
InvA(2,2) = ( A(1,1) * A(3,3) - A(1,3) * A(3,1) ) / DetA
InvA(3,2) = ( -A(1,1) * A(3,2) + A(1,2) * A(3,1) ) / DetA
InvA(1,3) = ( A(1,2) * A(2,3) - A(1,3) * A(2,2) ) / DetA
InvA(2,3) = ( -A(1,1) * A(2,3) + A(1,3) * A(2,1) ) / DetA
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
InvA(3,3) = ( A(1,1) * A(2,2) - A(1,2) * A(2,1) ) / 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
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
ENDSUBROUTINE math_invert3x3
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
!**************************************************************************
! Gauss elimination to invert 6x6 matrix
!**************************************************************************
- 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
PURE SUBROUTINE math_invert(dimen,A, InvA, AnzNegEW, error)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Invertieren einer dimen x dimen - Matrix
! A = Matrix A
! InvA = Inverse von A
! AnzNegEW = Anzahl der negativen Eigenwerte von A
! error = logical
! = false: Inversion wurde durchgefuehrt.
! = true: Die Inversion in SymGauss wurde wegen eines verschwindenen
! Pivotelement abgebrochen.
use prec, only: pReal,pInt
implicit none
integer(pInt), intent(in) :: dimen
real(pReal),dimension(dimen,dimen), intent(in) :: A
real(pReal),dimension(dimen,dimen), intent(out) :: InvA
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
integer(pInt), intent(out) :: AnzNegEW
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
logical, intent(out) :: error
real(pReal) LogAbsDetA
real(pReal),dimension(dimen,dimen) :: B
InvA = math_identity2nd(dimen)
B = A
CALL Gauss(dimen,B,InvA,LogAbsDetA,AnzNegEW,error)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDSUBROUTINE math_invert
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
! ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
- 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
PURE SUBROUTINE Gauss (dimen,A,B,LogAbsDetA,NegHDK,error)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Loesung eines linearen Gleichungsssystem A * X = B mit Hilfe des
! GAUSS-Algorithmus
! Zur numerischen Stabilisierung wird eine Zeilen- und Spaltenpivotsuche
! durchgefuehrt.
! Eingabeparameter:
!
! A(dimen,dimen) = Koeffizientenmatrix A
! B(dimen,dimen) = rechte Seiten B
!
! Ausgabeparameter:
!
! B(dimen,dimen) = Matrix der Unbekanntenvektoren X
! LogAbsDetA = 10-Logarithmus des Betrages der Determinanten von A
! NegHDK = Anzahl der negativen Hauptdiagonalkoeffizienten nach der
! Vorwaertszerlegung
! error = logical
! = false: Das Gleichungssystem wurde geloest.
! = true : Matrix A ist singulaer.
! A und B werden veraendert!
use prec, only: pReal,pInt
implicit none
logical error
integer (pInt) dimen,NegHDK
real(pReal) LogAbsDetA
real(pReal) A(dimen,dimen), B(dimen,dimen)
INTENT (IN) dimen
INTENT (OUT) LogAbsDetA, NegHDK, error
INTENT (INOUT) A, B
LOGICAL SortX
integer (pInt) PivotZeile, PivotSpalte, StoreI, I, IP1, J, K, L
integer (pInt) XNr(dimen)
real(pReal) AbsA, PivotWert, EpsAbs, Quote
real(pReal) StoreA(dimen), StoreB(dimen)
error = .true.
NegHDK = 1
SortX = .FALSE.
! Unbekanntennumerierung
DO I = 1, dimen
XNr(I) = I
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Genauigkeitsschranke und Bestimmung des groessten Pivotelementes
PivotWert = ABS(A(1,1))
PivotZeile = 1
PivotSpalte = 1
DO I = 1, dimen
DO J = 1, dimen
AbsA = ABS(A(I,J))
IF (AbsA .GT. PivotWert) THEN
PivotWert = AbsA
PivotZeile = I
PivotSpalte = J
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDIF
ENDDO
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
IF (PivotWert .LT. 0.0000001) RETURN ! Pivotelement = 0?
EpsAbs = PivotWert * 0.1_pReal ** PRECISION(1.0_pReal)
! V O R W A E R T S T R I A N G U L A T I O N
DO I = 1, dimen - 1
! Zeilentausch?
IF (PivotZeile .NE. I) THEN
StoreA(I:dimen) = A(I,I:dimen)
A(I,I:dimen) = A(PivotZeile,I:dimen)
A(PivotZeile,I:dimen) = StoreA(I:dimen)
StoreB(1:dimen) = B(I,1:dimen)
B(I,1:dimen) = B(PivotZeile,1:dimen)
B(PivotZeile,1:dimen) = StoreB(1:dimen)
SortX = .TRUE.
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDIF
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Spaltentausch?
IF (PivotSpalte .NE. I) THEN
StoreA(1:dimen) = A(1:dimen,I)
A(1:dimen,I) = A(1:dimen,PivotSpalte)
A(1:dimen,PivotSpalte) = StoreA(1:dimen)
StoreI = XNr(I)
XNr(I) = XNr(PivotSpalte)
XNr(PivotSpalte) = StoreI
SortX = .TRUE.
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDIF
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Triangulation
DO J = I + 1, dimen
Quote = A(J,I) / A(I,I)
DO K = I + 1, dimen
A(J,K) = A(J,K) - Quote * A(I,K)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
DO K = 1, dimen
B(J,K) = B(J,K) - Quote * B(I,K)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Bestimmung des groessten Pivotelementes
IP1 = I + 1
PivotWert = ABS(A(IP1,IP1))
PivotZeile = IP1
PivotSpalte = IP1
DO J = IP1, dimen
DO K = IP1, dimen
AbsA = ABS(A(J,K))
IF (AbsA .GT. PivotWert) THEN
PivotWert = AbsA
PivotZeile = J
PivotSpalte = K
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDIF
ENDDO
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
IF (PivotWert .LT. EpsAbs) RETURN ! Pivotelement = 0?
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! R U E C K W A E R T S A U F L O E S U N G
DO I = dimen, 1, -1
DO L = 1, dimen
DO J = I + 1, dimen
B(I,L) = B(I,L) - A(I,J) * B(J,L)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
B(I,L) = B(I,L) / A(I,I)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Sortieren der Unbekanntenvektoren?
IF (SortX) THEN
DO L = 1, dimen
StoreA(1:dimen) = B(1:dimen,L)
DO I = 1, dimen
J = XNr(I)
B(J,L) = StoreA(I)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
ENDDO
ENDIF
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
! Determinante
LogAbsDetA = 0.0_pReal
NegHDK = 0
DO I = 1, dimen
IF (A(I,I) .LT. 0.0_pReal) NegHDK = NegHDK + 1
AbsA = ABS(A(I,I))
LogAbsDetA = LogAbsDetA + LOG10(AbsA)
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDDO
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
error = .false.
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
ENDSUBROUTINE Gauss
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! symmetrize a 3x3 matrix
!********************************************************************
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
function math_symmetric3x3(m)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
implicit none
real(pReal), dimension(3,3) :: math_symmetric3x3,m
integer(pInt) i,j
added math_tensorproduct
2009-03-17 20:43:17 +05:30
forall (i=1:3,j=1:3) math_symmetric3x3(i,j) = 0.5_pReal * (m(i,j) + m(j,i))
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
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
endfunction math_symmetric3x3
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! symmetrize a 6x6 matrix
!********************************************************************
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
pure function math_symmetric6x6(m)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
implicit none
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
integer(pInt) i,j
real(pReal), dimension(6,6), intent(in) :: m
real(pReal), dimension(6,6) :: math_symmetric6x6
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added math_tensorproduct
2009-03-17 20:43:17 +05:30
forall (i=1:6,j=1:6) math_symmetric6x6(i,j) = 0.5_pReal * (m(i,j) + m(j,i))
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
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
endfunction math_symmetric6x6
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
!********************************************************************
! equivalent scalar quantity of a full strain tensor
!********************************************************************
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
pure function math_equivStrain33(m)
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +05:30
use prec, only: pReal,pInt
implicit none
real(pReal), dimension(3,3), intent(in) :: m
real(pReal) math_equivStrain33,e11,e22,e33,s12,s23,s31
e11 = (2.0_pReal*m(1,1)-m(2,2)-m(3,3))/3.0_pReal
e22 = (2.0_pReal*m(2,2)-m(3,3)-m(1,1))/3.0_pReal
e33 = (2.0_pReal*m(3,3)-m(1,1)-m(2,2))/3.0_pReal
s12 = 2.0_pReal*m(1,2)
s23 = 2.0_pReal*m(2,3)
s31 = 2.0_pReal*m(3,1)
math_equivStrain33 = 2.0_pReal*(1.50_pReal*(e11**2.0_pReal+e22**2.0_pReal+e33**2.0_pReal) + &
0.75_pReal*(s12**2.0_pReal+s23**2.0_pReal+s31**2.0_pReal))**(0.5_pReal)/3.0_pReal
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
endfunction math_equivStrain33
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 18:50:12 +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
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
! determinant of a 3x3 matrix
polished syntax to conform with f90
2007-03-21 15:50:25 +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
pure function math_det3x3(m)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
use prec, only: pReal,pInt
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal) math_det3x3
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
math_det3x3 = 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
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
endfunction math_det3x3
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
* 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
!********************************************************************
! norm of a 3x3 matrix
!********************************************************************
pure function math_norm33(m)
use prec, only: pReal,pInt
implicit none
real(pReal), dimension(3,3), intent(in) :: m
real(pReal) math_norm33
math_norm33 = sqrt(sum(m**2.0_pReal))
endfunction
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
!********************************************************************
! euclidic norm of a 3x1 vector
!********************************************************************
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
pure function math_norm3(v)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
use prec, only: pReal,pInt
implicit none
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
real(pReal), dimension(3), intent(in) :: v
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) math_norm3
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_norm3 = sqrt(v(1)*v(1) + v(2)*v(2) + v(3)*v(3))
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 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
endfunction math_norm3
now with first draft of nonlocal constitutive law debugging memory leak closed debugging counters corrected center of gravity stored in mesh state updated is now split into a collecting loop and an execution updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math non-converged crystallite triggers materialpoint cutback (used to respond elastically) non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 22:01:57 +05:30
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! convert 3x3 matrix into vector 9x1
!********************************************************************
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
pure function math_Plain33to9(m33)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m33
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(9) :: math_Plain33to9
integer(pInt) i
forall (i=1:9) math_Plain33to9(i) = m33(mapPlain(1,i),mapPlain(2,i))
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
endfunction math_Plain33to9
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
!********************************************************************
! convert 3x3 matrix into vector 9x1
!********************************************************************
pure function math_Plain33to9_logical(m33)
use prec, only: pReal,pInt
implicit none
logical, dimension(3,3), intent(in) :: m33
logical, dimension(9) :: math_Plain33to9_logical
integer(pInt) i
forall (i=1:9) math_Plain33to9_logical(i) = m33(mapPlain(1,i),mapPlain(2,i))
endfunction math_Plain33to9_logical
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! convert Plain 9x1 back to 3x3 matrix
!********************************************************************
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
pure function math_Plain9to33(v9)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(9), intent(in) :: v9
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3,3) :: math_Plain9to33
integer(pInt) i
forall (i=1:9) math_Plain9to33(mapPlain(1,i),mapPlain(2,i)) = v9(i)
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
endfunction math_Plain9to33
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
!********************************************************************
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! convert symmetric 3x3 matrix into Mandel vector 6x1
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +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
pure function math_Mandel33to6(m33)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
use prec, only: pReal,pInt
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(3,3), intent(in) :: m33
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
real(pReal), dimension(6) :: math_Mandel33to6
integer(pInt) i
polishing of Mandel notation
2007-03-28 13:50:50 +05:30
forall (i=1:6) 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
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
endfunction math_Mandel33to6
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
!********************************************************************
! convert Mandel 6x1 back to symmetric 3x3 matrix
!********************************************************************
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
pure function math_Mandel6to33(v6)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
use prec, only: pReal,pInt
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
removed several unused variables
2007-04-24 12:19:13 +05:30
integer(pInt) i
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
forall (i=1:6)
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
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
endfunction math_Mandel6to33
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! convert 3x3x3x3 tensor into plain matrix 9x9
!********************************************************************
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
pure function math_Plain3333to99(m3333)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
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
integer(pInt) i,j
forall (i=1:9,j=1:9) math_Plain3333to99(i,j) = &
m3333(mapPlain(1,i),mapPlain(2,i),mapPlain(1,j),mapPlain(2,j))
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
endfunction math_Plain3333to99
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
!********************************************************************
! plain matrix 9x9 into 3x3x3x3 tensor
!********************************************************************
pure function math_Plain99to3333(m99)
use prec, only: pReal,pInt
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
added functions math_mul33x3_complex math_Plain99to3333 to math.f90. mpie_spectral.f90 uses both functions math_Plain99to3333 is used for inversion of c0 math_mul33x3_complex is used for equilibrium check in fourier space also did some cleaning up on mpie_spectral.f90
2010-09-22 17:34:43 +05:30
real(pReal), dimension(9,9), intent(in) :: m99
real(pReal), dimension(3,3,3,3) :: math_Plain99to3333
integer(pInt) i,j
forall (i=1:9,j=1:9) math_Plain99to3333(mapPlain(1,i),mapPlain(2,i),&
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
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
endfunction 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
!********************************************************************
! convert Mandel matrix 6x6 into Plain matrix 6x6
!********************************************************************
pure function math_Mandel66toPlain66(m66)
use prec, only: pReal,pInt
implicit none
real(pReal), dimension(6,6), intent(in) :: m66
real(pReal), dimension(6,6) :: math_Mandel66toPlain66
integer(pInt) i,j
forall (i=1:6,j=1:6) &
math_Mandel66toPlain66(i,j) = invnrmMandel(i) * invnrmMandel(j) * m66(i,j)
return
endfunction
!********************************************************************
! convert Plain matrix 6x6 into Mandel matrix 6x6
!********************************************************************
pure function math_Plain66toMandel66(m66)
use prec, only: pReal,pInt
implicit none
real(pReal), dimension(6,6), intent(in) :: m66
real(pReal), dimension(6,6) :: math_Plain66toMandel66
integer(pInt) i,j
forall (i=1:6,j=1:6) &
math_Plain66toMandel66(i,j) = nrmMandel(i) * nrmMandel(j) * m66(i,j)
return
endfunction
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
!********************************************************************
! convert symmetric 3x3x3x3 tensor into Mandel matrix 6x6
!********************************************************************
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
pure function math_Mandel3333to66(m3333)
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
use prec, only: pReal,pInt
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
integer(pInt) i,j
forall (i=1:6,j=1:6) 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
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
endfunction 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
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! convert Mandel matrix 6x6 back to symmetric 3x3x3x3 tensor
!********************************************************************
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
pure function math_Mandel66to3333(m66)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(6,6), intent(in) :: m66
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3,3,3,3) :: math_Mandel66to3333
integer(pInt) i,j
forall (i=1:6,j=1:6)
math_Mandel66to3333(mapMandel(1,i),mapMandel(2,i),mapMandel(1,j),mapMandel(2,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
math_Mandel66to3333(mapMandel(2,i),mapMandel(1,i),mapMandel(1,j),mapMandel(2,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
math_Mandel66to3333(mapMandel(1,i),mapMandel(2,i),mapMandel(2,j),mapMandel(1,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
math_Mandel66to3333(mapMandel(2,i),mapMandel(1,i),mapMandel(2,j),mapMandel(1,j)) = invnrmMandel(i)*invnrmMandel(j)*m66(i,j)
end forall
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
endfunction math_Mandel66to3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! convert Voigt matrix 6x6 back to symmetric 3x3x3x3 tensor
!********************************************************************
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
pure function math_Voigt66to3333(m66)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal,pInt
implicit none
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension(6,6), intent(in) :: m66
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
real(pReal), dimension(3,3,3,3) :: math_Voigt66to3333
integer(pInt) i,j
forall (i=1:6,j=1:6)
math_Voigt66to3333(mapVoigt(1,i),mapVoigt(2,i),mapVoigt(1,j),mapVoigt(2,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
math_Voigt66to3333(mapVoigt(2,i),mapVoigt(1,i),mapVoigt(1,j),mapVoigt(2,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
math_Voigt66to3333(mapVoigt(1,i),mapVoigt(2,i),mapVoigt(2,j),mapVoigt(1,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
math_Voigt66to3333(mapVoigt(2,i),mapVoigt(1,i),mapVoigt(2,j),mapVoigt(1,j)) = invnrmVoigt(i)*invnrmVoigt(j)*m66(i,j)
end forall
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
endfunction math_Voigt66to3333
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
added Mandel notation transformations for sym 3x3x3x3 and 3x3 tensors
2007-03-28 12:51:47 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +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
! Euler angles (in radians) from rotation matrix
polished syntax to conform with f90
2007-03-21 15:50:25 +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
pure function math_RtoEuler(R)
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
use prec, only: pReal, pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
added functions -- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
2009-01-16 20:57:13 +05:30
real(pReal), dimension (3,3), intent(in) :: R
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_RtoEuler
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
real(pReal) sqhkl, squvw, sqhk, val
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
sqhkl=sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3)+R(3,3)*R(3,3))
squvw=sqrt(R(1,1)*R(1,1)+R(2,1)*R(2,1)+R(3,1)*R(3,1))
sqhk=sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3))
! calculate PHI
val=R(3,3)/sqhkl
if(val > 1.0_pReal) val = 1.0_pReal
if(val < -1.0_pReal) val = -1.0_pReal
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_RtoEuler(2) = acos(val)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
if(math_RtoEuler(2) < 1.0e-8_pReal) then
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! calculate phi2
math_RtoEuler(3) = 0.0_pReal
! calculate phi1
val=R(1,1)/squvw
if(val > 1.0_pReal) val = 1.0_pReal
if(val < -1.0_pReal) val = -1.0_pReal
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_RtoEuler(1) = acos(val)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
else
! calculate phi2
val=R(2,3)/sqhk
if(val > 1.0_pReal) val = 1.0_pReal
if(val < -1.0_pReal) val = -1.0_pReal
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_RtoEuler(3) = acos(val)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3)
! calculate phi1
val=-R(3,2)/sin(math_RtoEuler(2))
if(val > 1.0_pReal) val = 1.0_pReal
if(val < -1.0_pReal) val = -1.0_pReal
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_RtoEuler(1) = acos(val)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
end if
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
endfunction 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
!********************************************************************
! quaternion (w+ix+jy+kz) from orientation matrix
!********************************************************************
pure function math_RtoQuaternion(R)
use prec, only: pReal, pInt
implicit none
real(pReal), dimension (3,3), intent(in) :: R
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
real(pReal), dimension(4) :: absQ,math_RtoQuaternion
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
real(pReal) max_absQ
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
integer(pInt), dimension(1) :: largest
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 some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
! math adopted from http://code.google.com/p/mtex/source/browse/trunk/geometry/geometry_tools/mat2quat.m
math_RtoQuaternion = 0.0_pReal
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
absQ(1) = 1.0_pReal+R(1,1)+R(2,2)+R(3,3)
absQ(2) = 1.0_pReal+R(1,1)-R(2,2)-R(3,3)
absQ(3) = 1.0_pReal-R(1,1)+R(2,2)-R(3,3)
absQ(4) = 1.0_pReal-R(1,1)-R(2,2)+R(3,3)
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
largest = maxloc(absQ)
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
max_absQ=0.5_pReal * sqrt(absQ(largest(1)))
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
select case(largest(1))
case (1)
math_RtoQuaternion(2) = R(2,3)-R(3,2)
math_RtoQuaternion(3) = R(3,1)-R(1,3)
math_RtoQuaternion(4) = R(1,2)-R(2,1)
case (2)
math_RtoQuaternion(1) = R(2,3)-R(3,2)
math_RtoQuaternion(3) = R(1,2)+R(2,1)
math_RtoQuaternion(4) = R(3,1)+R(1,3)
case (3)
math_RtoQuaternion(1) = R(3,1)-R(1,3)
math_RtoQuaternion(2) = R(1,2)+R(2,1)
math_RtoQuaternion(4) = R(2,3)+R(3,2)
case (4)
math_RtoQuaternion (1) = R(1,2)-R(2,1)
math_RtoQuaternion (2) = R(3,1)+R(1,3)
math_RtoQuaternion (3) = R(3,2)+R(2,3)
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 some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
end select
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 16:17:07 +05:30
math_RtoQuaternion = math_RtoQuaternion*0.25_pReal/max_absQ
math_RtoQuaternion(largest(1)) = max_absQ
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
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
endfunction math_RtoQuaternion
polished syntax to conform with f90
2007-03-21 15:50:25 +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
!****************************************************************
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
! rotation matrix from Euler angles (in radians)
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
!****************************************************************
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
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
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(3), intent(in) :: Euler
real(pReal), dimension(3,3) :: math_EulerToR
real(pReal) c1, c, c2, s1, s, s2
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
C1 = cos(Euler(1))
C = cos(Euler(2))
C2 = cos(Euler(3))
S1 = sin(Euler(1))
S = sin(Euler(2))
S2 = sin(Euler(3))
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
math_EulerToR(1,1)=C1*C2-S1*S2*C
math_EulerToR(1,2)=S1*C2+C1*S2*C
math_EulerToR(1,3)=S2*S
math_EulerToR(2,1)=-C1*S2-S1*C2*C
math_EulerToR(2,2)=-S1*S2+C1*C2*C
math_EulerToR(2,3)=C2*S
math_EulerToR(3,1)=S1*S
math_EulerToR(3,2)=-C1*S
math_EulerToR(3,3)=C
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
endfunction 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
!********************************************************************
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
! quaternion (w+ix+jy+kz) from 3-1-3 Euler angles (in radians)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!********************************************************************
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
pure function math_EulerToQuaternion(eulerangles)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(3), intent(in) :: eulerangles
real(pReal), dimension(4) :: math_EulerToQuaternion
real(pReal), dimension(3) :: halfangles
real(pReal) c, 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
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
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
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))
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
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_EulerToQuaternion(1) = cos(halfangles(1)+halfangles(3)) * c
math_EulerToQuaternion(2) = cos(halfangles(1)-halfangles(3)) * s
math_EulerToQuaternion(3) = sin(halfangles(1)-halfangles(3)) * s
math_EulerToQuaternion(4) = sin(halfangles(1)+halfangles(3)) * c
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
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
endfunction math_EulerToQuaternion
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
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
!****************************************************************
! rotation matrix from axis and angle (in radians)
!****************************************************************
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
use prec, only: pReal, pInt
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega
real(pReal), dimension(3) :: axisNrm
real(pReal), dimension(3,3) :: math_AxisAngleToR
real(pReal) norm,s,c,c1
integer(pInt) i
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
norm = sqrt(math_mul3x3(axis,axis))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (norm > 1.0e-8_pReal) then ! non-zero rotation
forall (i=1:3) axisNrm(i) = axis(i)/norm ! normalize axis to be sure
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
! formula for active rotation taken from http://mathworld.wolfram.com/RodriguesRotationFormula.html
! below is transposed form to get passive rotation
math_AxisAngleToR(1,1) = c + c1*axisNrm(1)**2
math_AxisAngleToR(2,1) = -s*axisNrm(3) + c1*axisNrm(1)*axisNrm(2)
math_AxisAngleToR(3,1) = s*axisNrm(2) + c1*axisNrm(1)*axisNrm(3)
math_AxisAngleToR(1,2) = s*axisNrm(3) + c1*axisNrm(2)*axisNrm(1)
math_AxisAngleToR(2,2) = c + c1*axisNrm(2)**2
math_AxisAngleToR(3,2) = -s*axisNrm(1) + c1*axisNrm(2)*axisNrm(3)
math_AxisAngleToR(1,3) = -s*axisNrm(2) + c1*axisNrm(3)*axisNrm(1)
math_AxisAngleToR(2,3) = s*axisNrm(1) + c1*axisNrm(3)*axisNrm(2)
math_AxisAngleToR(3,3) = c + c1*axisNrm(3)**2
else
math_AxisAngleToR = math_I3
endif
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
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
endfunction 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
!****************************************************************
! quaternion (w+ix+jy+kz) from axis and angle (in radians)
!****************************************************************
pure function math_AxisAngleToQuaternion(axis,omega)
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega
real(pReal), dimension(3) :: axisNrm
real(pReal), dimension(4) :: math_AxisAngleToQuaternion
real(pReal) s,c,norm
integer(pInt) i
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
norm = sqrt(math_mul3x3(axis,axis))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (norm > 1.0e-8_pReal) then ! non-zero rotation
forall (i=1:3) axisNrm(i) = axis(i)/norm ! normalize axis to be sure
! formula taken from http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
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/2.0_pReal)
c = cos(omega/2.0_pReal)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_AxisAngleToQuaternion(1) = c
math_AxisAngleToQuaternion(2:4) = s * axisNrm(1:3)
else
math_AxisAngleToQuaternion = (/1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal/) ! no rotation
endif
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
endfunction math_AxisAngleToQuaternion
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!********************************************************************
! orientation matrix from quaternion (w+ix+jy+kz)
!********************************************************************
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
pure function math_QuaternionToR(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3,3) :: math_QuaternionToR, T,S
integer(pInt) i, j
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
forall (i = 1:3, j = 1:3) &
T(i,j) = Q(i+1) * Q(j+1)
S = reshape( (/0.0_pReal, Q(4), -Q(3), &
-Q(4),0.0_pReal, +Q(2), &
Q(3), -Q(2),0.0_pReal/),(/3,3/)) ! notation is transposed!
math_QuaternionToR = (2.0_pReal * Q(1)*Q(1) - 1.0_pReal) * math_I3 + &
2.0_pReal * T - &
2.0_pReal * Q(1) * S
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
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
endfunction math_QuaternionToR
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!********************************************************************
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
! 3-1-3 Euler angles (in radians) from quaternion (w+ix+jy+kz)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
!********************************************************************
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
pure function math_QuaternionToEuler(Q)
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3) :: math_QuaternionToEuler
set type for acos_arg
2011-03-04 20:27:22 +05:30
real(pReal) acos_arg
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_QuaternionToEuler(2) = acos(1.0_pReal-2.0_pReal*(Q(2)*Q(2)+Q(3)*Q(3)))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
if (abs(math_QuaternionToEuler(2)) < 1.0e-3_pReal) then
now the maybe not perfect quartenions caused trouble in math_QuaternionToEuler
2011-03-03 19:53:39 +05:30
acos_arg=Q(1)
if(acos_arg > 1.0_pReal)acos_arg = 1.0_pReal
if(acos_arg < -1.0_pReal)acos_arg = -1.0_pReal
math_QuaternionToEuler(1) = 2.0_pReal*acos(acos_arg)
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
math_QuaternionToEuler(3) = 0.0_pReal
else
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_QuaternionToEuler(1) = atan2(Q(1)*Q(3)+Q(2)*Q(4), Q(1)*Q(2)-Q(3)*Q(4))
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
if (math_QuaternionToEuler(1) < 0.0_pReal) &
math_QuaternionToEuler(1) = math_QuaternionToEuler(1) + 2.0_pReal * pi
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
math_QuaternionToEuler(3) = atan2(-Q(1)*Q(3)+Q(2)*Q(4), Q(1)*Q(2)+Q(3)*Q(4))
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 21:22:54 +05:30
if (math_QuaternionToEuler(3) < 0.0_pReal) &
math_QuaternionToEuler(3) = math_QuaternionToEuler(3) + 2.0_pReal * pi
endif
ensure positive eulerangles in math_QuaternionToEuler
2010-03-19 21:41:53 +05:30
if (math_QuaternionToEuler(2) < 0.0_pReal) &
math_QuaternionToEuler(2) = math_QuaternionToEuler(2) + pi
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
endfunction math_QuaternionToEuler
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90. beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template). for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 17:53:17 +05:30
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +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
! axis-angle (x, y, z, ang in radians) from quaternion (w+ix+jy+kz)
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +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
pure function math_QuaternionToAxisAngle(Q)
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal) halfAngle, sinHalfAngle
real(pReal), dimension(4) :: math_QuaternionToAxisAngle
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)
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (sinHalfAngle <= 1.0e-4_pReal) then ! very small rotation angle?
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
math_QuaternionToAxisAngle = 0.0_pReal
else
math_QuaternionToAxisAngle(1:3) = Q(2:4)/sinHalfAngle
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_QuaternionToAxisAngle(4) = halfAngle*2.0_pReal
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
endif
corrected makefile, now working again without giving standard values explicitly. did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 15:41:32 +05:30
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 15:31:09 +05:30
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
endfunction math_QuaternionToAxisAngle
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
new: math_QuaternionToAxisAngle
2010-04-12 16:37:25 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +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
! Rodrigues vector (x, y, z) from unit quaternion (w+ix+jy+kz)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +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
pure function math_QuaternionToRodrig(Q)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
use prec, only: pReal, pInt
implicit none
real(pReal), dimension(4), intent(in) :: Q
real(pReal), dimension(3) :: math_QuaternionToRodrig
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (Q(1) /= 0.0_pReal) then ! unless rotation by 180 deg
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
math_QuaternionToRodrig = Q(2:4)/Q(1)
else
corrected 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
math_QuaternionToRodrig = NaN(3) ! 0/0, since Rodrig is unbound for 180 deg...
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
endif
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
endfunction math_QuaternionToRodrig
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
!**************************************************************************
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
! misorientation angle between two sets of Euler angles
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
!**************************************************************************
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
pure function math_EulerMisorientation(EulerA,EulerB)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal, pInt
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
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
real(pReal) math_EulerMisorientation, tr
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
r = math_mul33x33(math_EulerToR(EulerB),transpose(math_EulerToR(EulerA)))
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
tr = (r(1,1)+r(2,2)+r(3,3)-1.0_pReal)*0.4999999_pReal
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
math_EulerMisorientation = abs(0.5_pReal*pi-asin(tr))
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
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
endfunction 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
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +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
! figures whether unit quat falls into stereographic standard triangle
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
!**************************************************************************
pure function math_QuaternionInSST(Q, symmetryType)
use prec, only: pReal, pInt
implicit none
!*** input variables
real(pReal), dimension(4), intent(in) :: Q ! orientation
integer(pInt), intent(in) :: symmetryType ! Type of crystal symmetry; 1:cubic, 2:hexagonal
!*** output variables
logical math_QuaternionInSST
!*** local variables
real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q
Rodrig = math_QuaternionToRodrig(Q)
select case (symmetryType)
case (1)
math_QuaternionInSST = Rodrig(1) > Rodrig(2) .and. &
Rodrig(2) > Rodrig(3) .and. &
Rodrig(3) > 0.0_pReal
case (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
math_QuaternionInSST = Rodrig(1) > sqrt(3.0_pReal)*Rodrig(2) .and. &
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
Rodrig(2) > 0.0_pReal .and. &
Rodrig(3) > 0.0_pReal
case default
math_QuaternionInSST = .true.
end select
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
endfunction math_QuaternionInSST
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +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
! calculates the disorientation for 2 unit quaternions
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
!**************************************************************************
fixed bugs in math_quaternionDisorientation though running, there still seem to be some problems with the quaternion functions, since crystallite_grainRotation gives some dubious results!
2010-05-04 21:32:05 +05:30
function math_QuaternionDisorientation(Q1, Q2, symmetryType)
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
use prec, only: pReal, pInt
fixed bugs in math_quaternionDisorientation though running, there still seem to be some problems with the quaternion functions, since crystallite_grainRotation gives some dubious results!
2010-05-04 21:32:05 +05:30
use IO, only: IO_error
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
implicit none
!*** input variables
real(pReal), dimension(4), intent(in) :: Q1, & ! 1st orientation
Q2 ! 2nd orientation
integer(pInt), intent(in) :: symmetryType ! Type of crystal symmetry; 1:cubic, 2:hexagonal
!*** output variables
real(pReal), dimension(4) :: math_QuaternionDisorientation ! disorientation
!*** local variables
real(pReal), dimension(4) :: dQ,dQsymA,mis
integer(pInt) i,j,k,s
dQ = math_qMul(math_qConj(Q1),Q2)
math_QuaternionDisorientation = dQ
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
select case (symmetryType)
case (0)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
if (math_QuaternionDisorientation(1) < 0.0_pReal) &
math_QuaternionDisorientation = -math_QuaternionDisorientation ! keep omega within 0 to 180 deg
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
case (1,2)
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
s = sum(math_NsymOperations(1:symmetryType-1))
do i = 1,2
dQ = math_qConj(dQ) ! switch order of "from -- to"
do j = 1,math_NsymOperations(symmetryType) ! run through first crystal's symmetries
dQsymA = math_qMul(math_symOperations(:,s+j),dQ) ! apply sym
do k = 1,math_NsymOperations(symmetryType) ! run through 2nd crystal's symmetries
mis = math_qMul(dQsymA,math_symOperations(:,s+k)) ! apply sym
if (mis(1) < 0.0_pReal) & ! want positive angle
mis = -mis
if (mis(1)-math_QuaternionDisorientation(1) > -1e-8_pReal .and. &
math_QuaternionInSST(mis,symmetryType)) &
math_QuaternionDisorientation = mis ! found better one
enddo; enddo; enddo
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
case default
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
call IO_error(550,symmetryType) ! complain about unknown symmetry
disorientation with symmetryType == 0 returns plain misorientation complain about unknown symmetryType
2010-05-04 18:24:13 +05:30
end select
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
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
endfunction math_QuaternionDisorientation
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
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
! draw a random sample from Euler space
polished syntax to conform with f90
2007-03-21 15:50:25 +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
function math_sampleRandomOri()
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal, pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_sampleRandomOri, rnd
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
call halton(3,rnd)
math_sampleRandomOri(1) = rnd(1)*2.0_pReal*pi
math_sampleRandomOri(2) = acos(2.0_pReal*rnd(2)-1.0_pReal)
math_sampleRandomOri(3) = rnd(3)*2.0_pReal*pi
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
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
endfunction math_sampleRandomOri
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
!********************************************************************
! draw a random sample from Gauss component
! with noise (in radians) half-width
!********************************************************************
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
function math_sampleGaussOri(center,noise)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal, pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_sampleGaussOri, center, disturb
real(pReal), dimension(3), parameter :: origin = (/0.0_pReal,0.0_pReal,0.0_pReal/)
real(pReal), dimension(5) :: rnd
real(pReal) noise,scatter,cosScatter
integer(pInt) i
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
if (noise==0.0) then
math_sampleGaussOri = center
return
endif
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! Helming uses different distribution with Bessel functions
! therefore the gauss scatter width has to be scaled differently
scatter = 0.95_pReal * noise
cosScatter = cos(scatter)
do
call halton(5,rnd)
forall (i=1:3) rnd(i) = 2.0_pReal*rnd(i)-1.0_pReal ! expand 1:3 to range [-1,+1]
disturb(1) = scatter * rnd(1) ! phi1
disturb(2) = sign(1.0_pReal,rnd(2))*acos(cosScatter+(1.0_pReal-cosScatter)*rnd(4)) ! Phi
disturb(3) = scatter * rnd(2) ! phi2
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 22:49:58 +05:30
if (rnd(5) <= exp(-1.0_pReal*(math_EulerMisorientation(origin,disturb)/scatter)**2)) 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)))
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
endfunction math_sampleGaussOri
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
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
!********************************************************************
! draw a random sample from Fiber component
! with noise (in radians)
!********************************************************************
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
function math_sampleFiberOri(alpha,beta,noise)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal, pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
implicit none
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
real(pReal), dimension(3) :: math_sampleFiberOri, fiberInC,fiberInS,axis
real(pReal), dimension(2) :: alpha,beta, rnd
real(pReal), dimension(3,3) :: oRot,fRot,pRot
real(pReal) noise, scatter, cos2Scatter, angle
integer(pInt), dimension(2,3), parameter :: rotMap = reshape((/2,3, 3,1, 1,2/),(/2,3/))
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +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
fiberInC(1)=sin(alpha(1))*cos(alpha(2))
fiberInC(2)=sin(alpha(1))*sin(alpha(2))
fiberInC(3)=cos(alpha(1))
! fiber axis in sample coordinate system
fiberInS(1)=sin(beta(1))*cos(beta(2))
fiberInS(2)=sin(beta(1))*sin(beta(2))
fiberInS(3)=cos(beta(1))
! ---# rotation matrix from sample to crystal system #---
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
angle = -acos(dot_product(fiberInC,fiberInS))
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
if(angle /= 0.0_pReal) then
! rotation axis between sample and crystal system (cross product)
forall(i=1:3) axis(i) = fiberInC(rotMap(1,i))*fiberInS(rotMap(2,i))-fiberInC(rotMap(2,i))*fiberInS(rotMap(1,i))
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
oRot = math_AxisAngleToR(math_vectorproduct(fiberInC,fiberInS),angle)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
else
oRot = math_I3
end if
! ---# rotation matrix about fiber axis (random angle) #---
call halton(1,rnd)
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
fRot = math_AxisAngleToR(fiberInS,rnd(1)*2.0_pReal*pi)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! ---# rotation about random axis perpend to fiber #---
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
! random axis pependicular to fiber axis
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
call halton(2,axis)
if (fiberInS(3) /= 0.0_pReal) then
axis(3)=-(axis(1)*fiberInS(1)+axis(2)*fiberInS(2))/fiberInS(3)
else if(fiberInS(2) /= 0.0_pReal) then
axis(3)=axis(2)
axis(2)=-(axis(1)*fiberInS(1)+axis(3)*fiberInS(3))/fiberInS(2)
else if(fiberInS(1) /= 0.0_pReal) then
axis(3)=axis(1)
axis(1)=-(axis(2)*fiberInS(2)+axis(3)*fiberInS(3))/fiberInS(1)
end if
! scattered rotation angle
do
call halton(2,rnd)
angle = acos(cos2Scatter+(1.0_pReal-cos2Scatter)*rnd(1))
if (rnd(2) <= exp(-1.0_pReal*(angle/scatter)**2)) exit
enddo
call halton(1,rnd)
if (rnd(1) <= 0.5) angle = -angle
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
pRot = math_AxisAngleToR(axis,angle)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
! ---# apply the three rotations #---
debugged zoo of rotation operations and transformations all angles now in radians introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 19:37:21 +05:30
math_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
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
endfunction math_sampleFiberOri
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
!********************************************************************
! symmetric Euler angles for given symmetry string
! 'triclinic' or '', 'monoclinic', 'orthotropic'
!********************************************************************
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
pure function math_symmetricEulers(sym,Euler)
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
use prec, only: pReal, pInt
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
integer(pInt) i,j
math_symmetricEulers(1,1) = pi+Euler(1)
math_symmetricEulers(2,1) = Euler(2)
math_symmetricEulers(3,1) = Euler(3)
math_symmetricEulers(1,2) = pi-Euler(1)
math_symmetricEulers(2,2) = pi-Euler(2)
math_symmetricEulers(3,2) = pi+Euler(3)
math_symmetricEulers(1,3) = 2.0_pReal*pi-Euler(1)
math_symmetricEulers(2,3) = pi-Euler(2)
math_symmetricEulers(3,3) = pi+Euler(3)
forall (i=1:3,j=1:3) math_symmetricEulers(j,i) = modulo(math_symmetricEulers(j,i),2.0_pReal*pi)
select case (sym)
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
case (4) ! all done
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
overhaul to allow for multiphase/homogenization setup.
2009-03-04 17:18:54 +05:30
case (2) ! return only first
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
math_symmetricEulers(:,2:3) = 0.0_pReal
case default ! return blank
math_symmetricEulers = 0.0_pReal
end select
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
endfunction math_symmetricEulers
exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
2008-02-15 18:12:27 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
!********************************************************************
! draw a random sample from Gauss variable
!********************************************************************
function math_sampleGaussVar(meanvalue, stddev, width)
use prec, only: pReal, pInt
implicit none
!*** input variables
real(pReal), intent(in) :: meanvalue, & ! meanvalue of gauss distribution
stddev ! standard deviation of gauss distribution
real(pReal), intent(in), optional :: width ! width of considered values as multiples of standard deviation
!*** output variables
real(pReal) math_sampleGaussVar
!*** local variables
real(pReal), dimension(2) :: rnd ! random numbers
real(pReal) scatter, & ! normalized scatter around meanvalue
myWidth
if (stddev == 0.0) then
math_sampleGaussVar = meanvalue
return
endif
if (present(width)) then
myWidth = width
else
myWidth = 3.0_pReal ! use +-3*sigma as default value for scatter
endif
do
call halton(2, rnd)
scatter = myWidth * (2.0_pReal * rnd(1) - 1.0_pReal)
if (rnd(2) <= exp(-0.5_pReal * scatter ** 2.0_pReal)) & ! test if scattered value is drawn
exit
enddo
math_sampleGaussVar = scatter * stddev
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
endfunction math_sampleGaussVar
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter" * dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 21:11:32 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!****************************************************************
- 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
pure subroutine math_pDecomposition(FE,U,R,error)
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
!-----FE = R.U
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!****************************************************************
use prec, only: pReal, pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +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
real(pReal), intent(in) :: FE(3,3)
real(pReal), intent(out) :: R(3,3), U(3,3)
logical, intent(out) :: error
real(pReal) CE(3,3),EW1,EW2,EW3,EB1(3,3),EB2(3,3),EB3(3,3),UI(3,3),det
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
error = .false.
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
ce = math_mul33x33(math_transpose3x3(FE),FE)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
CALL math_spectral1(CE,EW1,EW2,EW3,EB1,EB2,EB3)
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
U=sqrt(EW1)*EB1+sqrt(EW2)*EB2+sqrt(EW3)*EB3
error from inversion routines now boolean type
2007-04-11 15:34:22 +05:30
call math_invert3x3(U,UI,det,error)
major restructuring of code. homogenization as well as constitutive are now free to choose. the runtime got somewhat longer (25% on simple tests) compared to a hardcoded isostrain homogenization. this might be a point of further optimization at a later stage... please use homogenization_isostrain.f90 as starting point / example for future developments of homog-schemes. the homogenization scheme now can additionally output certain results. hence, the userdata structure at each integration point now looks like this: - sizeHomogPostResults - block of that size containing homogPostResults then for each grain: - sizeGrainPostResults - block of that size containing crystallitePostResults, which consist of: + phaseID + volFrac + Eulers (3) + any constitutive post results requested
2009-05-07 21:57:36 +05:30
if (.not. error) R = math_mul33x33(FE,UI)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE math_pDecomposition
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!**********************************************************************
- 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
pure subroutine math_spectral1(M,EW1,EW2,EW3,EB1,EB2,EB3)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!**** EIGENWERTE UND EIGENWERTBASIS DER SYMMETRISCHEN 3X3 MATRIX M
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal, pInt
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +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
real(pReal), intent(in) :: M(3,3)
real(pReal), intent(out) :: EB1(3,3),EB2(3,3),EB3(3,3),EW1,EW2,EW3
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
real(pReal) HI1M,HI2M,HI3M,TOL,R,S,T,P,Q,RHO,PHI,Y1,Y2,Y3,D1,D2,D3
removed several unused variables
2007-04-24 12:19:13 +05:30
real(pReal) C1,C2,C3,M1(3,3),M2(3,3),M3(3,3),arg
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
TOL=1.e-14_pReal
CALL math_hi(M,HI1M,HI2M,HI3M)
R=-HI1M
S= HI2M
T=-HI3M
P=S-R**2.0_pReal/3.0_pReal
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
EB1=0.0_pReal
EB2=0.0_pReal
EB3=0.0_pReal
IF((ABS(P).LT.TOL).AND.(ABS(Q).LT.TOL))THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! DREI GLEICHE EIGENWERTE
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW1=HI1M/3.0_pReal
EW2=EW1
EW3=EW1
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! this is not really correct, but this way U is calculated
! correctly in PDECOMPOSITION (correct is EB?=I)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EB1(1,1)=1.0_pReal
EB2(2,2)=1.0_pReal
EB3(3,3)=1.0_pReal
ELSE
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
RHO=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
arg=-Q/RHO/2.0_pReal
if(arg.GT.1) arg=1
if(arg.LT.-1) arg=-1
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used. Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90. For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 14:55:53 +05:30
PHI=acos(arg)
Y1=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal)
Y2=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
Y3=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW1=Y1-R/3.0_pReal
EW2=Y2-R/3.0_pReal
EW3=Y3-R/3.0_pReal
C1=ABS(EW1-EW2)
C2=ABS(EW2-EW3)
C3=ABS(EW3-EW1)
IF(C1.LT.TOL) THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! EW1 is equal to EW2
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D3=1.0_pReal/(EW3-EW1)/(EW3-EW2)
added 4th order identity
2007-03-27 20:43:08 +05:30
M1=M-EW1*math_I3
M2=M-EW2*math_I3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB3=math_mul33x33(M1,M2)*D3
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
added 4th order identity
2007-03-27 20:43:08 +05:30
EB1=math_I3-EB3
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! both EB2 and EW2 are set to zero so that they do not
! contribute to U in PDECOMPOSITION
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW2=0.0_pReal
ELSE IF(C2.LT.TOL) THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! EW2 is equal to EW3
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D1=1.0_pReal/(EW1-EW2)/(EW1-EW3)
added 4th order identity
2007-03-27 20:43:08 +05:30
M2=M-math_I3*EW2
M3=M-math_I3*EW3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB1=math_mul33x33(M2,M3)*D1
added 4th order identity
2007-03-27 20:43:08 +05:30
EB2=math_I3-EB1
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! both EB3 and EW3 are set to zero so that they do not
! contribute to U in PDECOMPOSITION
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW3=0.0_pReal
ELSE IF(C3.LT.TOL) THEN
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! EW1 is equal to EW3
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D2=1.0_pReal/(EW2-EW1)/(EW2-EW3)
added 4th order identity
2007-03-27 20:43:08 +05:30
M1=M-math_I3*EW1
M3=M-math_I3*EW3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB2=math_mul33x33(M1,M3)*D2
added 4th order identity
2007-03-27 20:43:08 +05:30
EB1=math_I3-EB2
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! both EB3 and EW3 are set to zero so that they do not
! contribute to U in PDECOMPOSITION
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
EW3=0.0_pReal
ELSE
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
! all three eigenvectors are different
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
D1=1.0_pReal/(EW1-EW2)/(EW1-EW3)
D2=1.0_pReal/(EW2-EW1)/(EW2-EW3)
D3=1.0_pReal/(EW3-EW1)/(EW3-EW2)
added 4th order identity
2007-03-27 20:43:08 +05:30
M1=M-EW1*math_I3
M2=M-EW2*math_I3
M3=M-EW3*math_I3
replaced almost all calls of matmul by our own code, gives better performance in parallel computations
2008-07-23 18:19:40 +05:30
EB1=math_mul33x33(M2,M3)*D1
EB2=math_mul33x33(M1,M3)*D2
EB3=math_mul33x33(M1,M2)*D3
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
END IF
END IF
corrected makefile, now working again without giving standard values explicitly. did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 15:41:32 +05:30
ENDSUBROUTINE math_spectral1
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step, made convergence independent of size and resolution, polishing output in DAMASK_spectral.f90 added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90 removed obsolete variable in numerics.f90
2011-08-26 19:36:37 +05:30
!**********************************************************************
function math_eigenvalues3x3(M)
!**** Eigenvalues of symmetric 3X3 matrix M
use prec, only: pReal, pInt
implicit none
real(pReal), intent(in) :: M(3,3)
real(pReal), dimension(3,3) :: EB1(3,3),EB2(3,3),EB3(3,3)
real(pReal), dimension(3) :: math_eigenvalues3x3
real(pReal) HI1M,HI2M,HI3M,TOL,R,S,T,P,Q,RHO,PHI,Y1,Y2,Y3,arg,EW1,EW2,EW3
TOL=1.e-14_pReal
CALL math_hi(M,HI1M,HI2M,HI3M)
R=-HI1M
S= HI2M
T=-HI3M
P=S-R**2.0_pReal/3.0_pReal
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
EB1=0.0_pReal
EB2=0.0_pReal
EB3=0.0_pReal
if((abs(P) < TOL) .and. (abs(Q) < TOL)) THEN
! three equivalent eigenvalues
math_eigenvalues3x3(1) = HI1M/3.0_pReal
math_eigenvalues3x3(2)=math_eigenvalues3x3(1)
math_eigenvalues3x3(3)=math_eigenvalues3x3(1)
! this is not really correct, but this way U is calculated
! correctly in PDECOMPOSITION (correct is EB?=I)
EB1(1,1)=1.0_pReal
EB2(2,2)=1.0_pReal
EB3(3,3)=1.0_pReal
else
RHO=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
arg=-Q/RHO/2.0_pReal
if(arg.GT.1) arg=1
if(arg.LT.-1) arg=-1
PHI=acos(arg)
Y1=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal)
Y2=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
Y3=2*RHO**(1.0_pReal/3.0_pReal)*cos(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
math_eigenvalues3x3(1) = Y1-R/3.0_pReal
math_eigenvalues3x3(2) = Y2-R/3.0_pReal
math_eigenvalues3x3(3) = Y3-R/3.0_pReal
endif
endfunction math_eigenvalues3x3
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!**********************************************************************
!**** HAUPTINVARIANTEN HI1M, HI2M, HI3M DER 3X3 MATRIX M
- 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
PURE SUBROUTINE math_hi(M,HI1M,HI2M,HI3M)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
use prec, only: pReal, pInt
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
- 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
real(pReal), intent(in) :: M(3,3)
real(pReal), intent(out) :: HI1M, HI2M, HI3M
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
HI1M=M(1,1)+M(2,2)+M(3,3)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
HI2M=HI1M**2/2.0_pReal-(M(1,1)**2+M(2,2)**2+M(3,3)**2)/2.0_pReal-M(1,2)*M(2,1)-M(1,3)*M(3,1)-M(2,3)*M(3,2)
inserted MISSING comments and math_I3 global
2007-03-22 20:18:16 +05:30
HI3M=math_det3x3(M)
! QUESTION: is 3rd equiv det(M) ?? if yes, use function math_det !agreed on YES
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE math_hi
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
SUBROUTINE get_seed(seed)
!
!*******************************************************************************
!
!! GET_SEED returns a seed for the random number generator.
!
!
! Discussion:
!
! The seed depends on the current time, and ought to be (slightly)
! different every millisecond. Once the seed is obtained, a random
! number generator should be called a few times to further process
! the seed.
!
! Modified:
!
! 27 June 2000
!
! Author:
!
! John Burkardt
!
! Parameters:
!
! Output, integer SEED, a pseudorandom seed value.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
use prec, only: pReal, pInt
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
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
integer(pInt) seed
real(pReal) temp
character ( len = 10 ) time
character ( len = 8 ) today
integer(pInt) values(8)
character ( len = 5 ) zone
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
call date_and_time ( today, time, zone, values )
temp = 0.0D+00
temp = temp + dble ( values(2) - 1 ) / 11.0D+00
temp = temp + dble ( values(3) - 1 ) / 30.0D+00
temp = temp + dble ( values(5) ) / 23.0D+00
temp = temp + dble ( values(6) ) / 59.0D+00
temp = temp + dble ( values(7) ) / 59.0D+00
temp = temp + dble ( values(8) ) / 999.0D+00
temp = temp / 6.0D+00
if ( temp <= 0.0D+00 ) then
temp = 1.0D+00 / 3.0D+00
else if ( 1.0D+00 <= temp ) then
temp = 2.0D+00 / 3.0D+00
end if
seed = int ( dble ( huge ( 1 ) ) * temp , pInt)
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Never use a seed of 0 or maximum integer.
!
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
if ( seed == 0 ) then
seed = 1
end if
if ( seed == huge ( 1 ) ) then
seed = seed - 1
end if
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE get_seed
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
subroutine halton ( ndim, r )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
!*******************************************************************************
!
!! HALTON computes the next element in the Halton sequence.
!
!
! Modified:
!
! 09 March 2003
!
! Author:
!
! John Burkardt
!
! Parameters:
!
! Input, integer NDIM, the dimension of the element.
!
! Output, real R(NDIM), the next element of the current Halton
! sequence.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
use prec, ONLY: pReal, pInt
implicit none
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
integer(pInt) ndim
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
integer(pInt) base(ndim)
real(pReal) r(ndim)
integer(pInt) seed
integer(pInt) value(1)
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
call halton_memory ( 'GET', 'SEED', 1, value )
seed = value(1)
call halton_memory ( 'GET', 'BASE', ndim, base )
call i_to_halton ( seed, base, ndim, r )
value(1) = 1
call halton_memory ( 'INC', 'SEED', 1, value )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE halton
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
subroutine halton_memory ( action, name, ndim, value )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
!*******************************************************************************
!
!! HALTON_MEMORY sets or returns quantities associated with the Halton sequence.
!
!
! Modified:
!
! 09 March 2003
!
! Author:
!
! John Burkardt
!
! Parameters:
!
! Input, character ( len = * ) ACTION, the desired action.
! 'GET' means get the value of a particular quantity.
! 'SET' means set the value of a particular quantity.
! 'INC' means increment the value of a particular quantity.
! (Only the SEED can be incremented.)
!
! Input, character ( len = * ) NAME, the name of the quantity.
! 'BASE' means the Halton base or bases.
! 'NDIM' means the spatial dimension.
! 'SEED' means the current Halton seed.
!
! Input/output, integer NDIM, the dimension of the quantity.
! If ACTION is 'SET' and NAME is 'BASE', then NDIM is input, and
! is the number of entries in VALUE to be put into BASE.
!
! Input/output, integer VALUE(NDIM), contains a value.
! If ACTION is 'SET', then on input, VALUE contains values to be assigned
! to the internal variable.
! If ACTION is 'GET', then on output, VALUE contains the values of
! the specified internal variable.
! If ACTION is 'INC', then on input, VALUE contains the increment to
! be added to the specified internal variable.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
use prec, only: pReal, pInt
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
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
character ( len = * ) action
integer(pInt), allocatable, save :: base(:)
logical, save :: first_call = .true.
integer(pInt) i
character ( len = * ) name
integer(pInt) ndim
integer(pInt), save :: ndim_save = 0
integer(pInt), save :: seed = 1
integer(pInt) value(*)
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
if ( first_call ) then
ndim_save = 1
allocate ( base(ndim_save) )
base(1) = 2
first_call = .false.
end if
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Set
!
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
if ( action(1:1) == 'S' .or. action(1:1) == 's' ) then
if ( name(1:1) == 'B' .or. name(1:1) == 'b' ) then
if ( ndim_save /= ndim ) then
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
deallocate ( base )
ndim_save = ndim
allocate ( base(ndim_save) )
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
end if
base(1:ndim) = value(1:ndim)
else if ( name(1:1) == 'N' .or. name(1:1) == 'n' ) then
if ( ndim_save /= value(1) ) then
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
deallocate ( base )
ndim_save = value(1)
allocate ( base(ndim_save) )
do i = 1, ndim_save
base(i) = prime ( i )
enddo
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
else
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 = value(1)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
end if
else if ( name(1:1) == 'S' .or. name(1:1) == 's' ) then
seed = value(1)
end if
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Get
!
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
else if ( action(1:1) == 'G' .or. action(1:1) == 'g' ) then
if ( name(1:1) == 'B' .or. name(1:1) == 'b' ) then
if ( ndim /= ndim_save ) then
deallocate ( base )
ndim_save = ndim
allocate ( base(ndim_save) )
do i = 1, ndim_save
base(i) = prime(i)
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
end if
value(1:ndim_save) = base(1:ndim_save)
else if ( name(1:1) == 'N' .or. name(1:1) == 'n' ) then
value(1) = ndim_save
else if ( name(1:1) == 'S' .or. name(1:1) == 's' ) then
value(1) = seed
end if
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
! Increment
!
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
else if ( action(1:1) == 'I' .or. action(1:1) == 'i' ) then
if ( name(1:1) == 'S' .or. name(1:1) == 's' ) then
seed = seed + value(1)
end if
end if
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE halton_memory
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
subroutine halton_ndim_set ( ndim )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
!*******************************************************************************
!
!! HALTON_NDIM_SET sets the dimension for a Halton sequence.
!
!
! Modified:
!
! 26 February 2001
!
! Author:
!
! John Burkardt
!
! Parameters:
!
! Input, integer NDIM, the dimension of the Halton vectors.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
use prec, only: pReal, pInt
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
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
integer(pInt) ndim
integer(pInt) value(1)
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
value(1) = ndim
call halton_memory ( 'SET', 'NDIM', 1, value )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE halton_ndim_set
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
subroutine halton_seed_set ( seed )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
!*******************************************************************************
!
!! HALTON_SEED_SET sets the "seed" for the Halton sequence.
!
!
! Discussion:
!
! Calling HALTON repeatedly returns the elements of the
! Halton sequence in order, starting with element number 1.
! An internal counter, called SEED, keeps track of the next element
! to return. Each time the routine is called, the SEED-th element
! is computed, and then SEED is incremented by 1.
!
! To restart the Halton sequence, it is only necessary to reset
! SEED to 1. It might also be desirable to reset SEED to some other value.
! This routine allows the user to specify any value of SEED.
!
! The default value of SEED is 1, which restarts the Halton sequence.
!
! Modified:
!
! 26 February 2001
!
! Author:
!
! John Burkardt
!
! Parameters:
!
! Input, integer SEED, the seed for the Halton sequence.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
use prec, only: pReal, pInt
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
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
integer(pInt), parameter :: ndim = 1
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
integer(pInt) seed
integer(pInt) value(ndim)
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
value(1) = seed
call halton_memory ( 'SET', 'SEED', ndim, value )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE halton_seed_set
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
subroutine i_to_halton ( seed, base, ndim, r )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
!*******************************************************************************
!
!! I_TO_HALTON computes an element of a Halton sequence.
!
!
! Reference:
!
! J H Halton,
! On the efficiency of certain quasi-random sequences of points
! in evaluating multi-dimensional integrals,
! Numerische Mathematik,
! Volume 2, pages 84-90, 1960.
!
! Modified:
!
! 26 February 2001
!
! Author:
!
! John Burkardt
!
! Parameters:
!
! Input, integer SEED, the index of the desired element.
! Only the absolute value of SEED is considered. SEED = 0 is allowed,
! and returns R = 0.
!
! Input, integer BASE(NDIM), the Halton bases, which should be
! distinct prime numbers. This routine only checks that each base
! is greater than 1.
!
! Input, integer NDIM, the dimension of the sequence.
!
! Output, real R(NDIM), the SEED-th element of the Halton sequence
! for the given bases.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
use prec, ONLY: pReal, pInt
implicit none
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
integer(pInt) ndim
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
integer(pInt) base(ndim)
real(pReal) base_inv(ndim)
integer(pInt) digit(ndim)
integer(pInt) i
real(pReal) r(ndim)
integer(pInt) seed
integer(pInt) seed2(ndim)
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
seed2(1:ndim) = abs ( seed )
r(1:ndim) = 0.0_pReal
if ( any ( base(1:ndim) <= 1 ) ) then
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
!$OMP CRITICAL (write2out)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
write ( *, '(a)' ) ' '
write ( *, '(a)' ) 'I_TO_HALTON - Fatal error!'
write ( *, '(a)' ) ' An input base BASE is <= 1!'
do i = 1, ndim
write ( *, '(i6,i6)' ) i, base(i)
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
call flush(6)
openmp parallelization working again (at least for j2 and nonlocal constitutive model). In order to keep it like that, please follow these simple rules: DON'T use implicit array subscripts: example: real, dimension(3,3) :: A,B A(:,2) = B(:,1) <--- DON'T USE A(1:3,2) = B(1:3,1) <--- BETTER USE In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks. Enclose all write statements with the following: !$OMP CRITICAL (write2out) <your write statement> !$OMP END CRITICAL (write2out) Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 16:16:17 +05:30
!$OMP END CRITICAL (write2out)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
stop
end if
base_inv(1:ndim) = 1.0_pReal / real ( base(1:ndim), pReal )
do while ( any ( seed2(1:ndim) /= 0 ) )
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim) )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
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
ENDSUBROUTINE i_to_halton
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
function prime ( n )
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
!
!*******************************************************************************
!
!! PRIME returns any of the first PRIME_MAX prime numbers.
!
!
! Note:
!
! PRIME_MAX is 1500, and the largest prime stored is 12553.
!
! Modified:
!
! 21 June 2002
!
! Author:
!
! John Burkardt
!
! Reference:
!
! Milton Abramowitz and Irene Stegun,
! Handbook of Mathematical Functions,
! US Department of Commerce, 1964, pages 870-873.
!
! Daniel Zwillinger,
! CRC Standard Mathematical Tables and Formulae,
! 30th Edition,
! CRC Press, 1996, pages 95-98.
!
! Parameters:
!
! Input, integer N, the index of the desired prime number.
! N = -1 returns PRIME_MAX, the index of the largest prime available.
! N = 0 is legal, returning PRIME = 1.
! It should generally be true that 0 <= N <= PRIME_MAX.
!
! Output, integer PRIME, the N-th prime. If N is out of range, PRIME
! is returned as 0.
!
! Modified:
!
! 29 April 2005
!
! Author:
!
! Franz Roters
!
use prec, only: pReal, pInt
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
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
integer(pInt), parameter :: prime_max = 1500
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
integer(pInt), save :: icall = 0
integer(pInt) n
integer(pInt), save, dimension ( prime_max ) :: npvec
integer(pInt) prime
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
if ( icall == 0 ) then
icall = 1
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
npvec(1:100) = (/&
2, 3, 5, 7, 11, 13, 17, 19, 23, 29, &
31, 37, 41, 43, 47, 53, 59, 61, 67, 71, &
73, 79, 83, 89, 97, 101, 103, 107, 109, 113, &
127, 131, 137, 139, 149, 151, 157, 163, 167, 173, &
179, 181, 191, 193, 197, 199, 211, 223, 227, 229, &
233, 239, 241, 251, 257, 263, 269, 271, 277, 281, &
283, 293, 307, 311, 313, 317, 331, 337, 347, 349, &
353, 359, 367, 373, 379, 383, 389, 397, 401, 409, &
419, 421, 431, 433, 439, 443, 449, 457, 461, 463, &
467, 479, 487, 491, 499, 503, 509, 521, 523, 541 /)
npvec(101:200) = (/ &
547, 557, 563, 569, 571, 577, 587, 593, 599, 601, &
607, 613, 617, 619, 631, 641, 643, 647, 653, 659, &
661, 673, 677, 683, 691, 701, 709, 719, 727, 733, &
739, 743, 751, 757, 761, 769, 773, 787, 797, 809, &
811, 821, 823, 827, 829, 839, 853, 857, 859, 863, &
877, 881, 883, 887, 907, 911, 919, 929, 937, 941, &
947, 953, 967, 971, 977, 983, 991, 997, 1009, 1013, &
1019, 1021, 1031, 1033, 1039, 1049, 1051, 1061, 1063, 1069, &
1087, 1091, 1093, 1097, 1103, 1109, 1117, 1123, 1129, 1151, &
1153, 1163, 1171, 1181, 1187, 1193, 1201, 1213, 1217, 1223 /)
npvec(201:300) = (/ &
1229, 1231, 1237, 1249, 1259, 1277, 1279, 1283, 1289, 1291, &
1297, 1301, 1303, 1307, 1319, 1321, 1327, 1361, 1367, 1373, &
1381, 1399, 1409, 1423, 1427, 1429, 1433, 1439, 1447, 1451, &
1453, 1459, 1471, 1481, 1483, 1487, 1489, 1493, 1499, 1511, &
1523, 1531, 1543, 1549, 1553, 1559, 1567, 1571, 1579, 1583, &
1597, 1601, 1607, 1609, 1613, 1619, 1621, 1627, 1637, 1657, &
1663, 1667, 1669, 1693, 1697, 1699, 1709, 1721, 1723, 1733, &
1741, 1747, 1753, 1759, 1777, 1783, 1787, 1789, 1801, 1811, &
corrected typo in the prime number function
2009-06-29 20:59:07 +05:30
1823, 1831, 1847, 1861, 1867, 1871, 1873, 1877, 1879, 1889, &
polished syntax to conform with f90
2007-03-21 15:50:25 +05:30
1901, 1907, 1913, 1931, 1933, 1949, 1951, 1973, 1979, 1987 /)
npvec(301:400) = (/ &
1993, 1997, 1999, 2003, 2011, 2017, 2027, 2029, 2039, 2053, &
2063, 2069, 2081, 2083, 2087, 2089, 2099, 2111, 2113, 2129, &
2131, 2137, 2141, 2143, 2153, 2161, 2179, 2203, 2207, 2213, &
2221, 2237, 2239, 2243, 2251, 2267, 2269, 2273, 2281, 2287, &
2293, 2297, 2309, 2311, 2333, 2339, 2341, 2347, 2351, 2357, &
2371, 2377, 2381, 2383, 2389, 2393, 2399, 2411, 2417, 2423, &
2437, 2441, 2447, 2459, 2467, 2473, 2477, 2503, 2521, 2531, &
2539, 2543, 2549, 2551, 2557, 2579, 2591, 2593, 2609, 2617, &
2621, 2633, 2647, 2657, 2659, 2663, 2671, 2677, 2683, 2687, &
2689, 2693, 2699, 2707, 2711, 2713, 2719, 2729, 2731, 2741 /)
npvec(401:500) = (/ &
2749, 2753, 2767, 2777, 2789, 2791, 2797, 2801, 2803, 2819, &
2833, 2837, 2843, 2851, 2857, 2861, 2879, 2887, 2897, 2903, &
2909, 2917, 2927, 2939, 2953, 2957, 2963, 2969, 2971, 2999, &
3001, 3011, 3019, 3023, 3037, 3041, 3049, 3061, 3067, 3079, &
3083, 3089, 3109, 3119, 3121, 3137, 3163, 3167, 3169, 3181, &
3187, 3191, 3203, 3209, 3217, 3221, 3229, 3251, 3253, 3257, &
3259, 3271, 3299, 3301, 3307, 3313, 3319, 3323, 3329, 3331, &
3343, 3347, 3359, 3361, 3371, 3373, 3389, 3391, 3407, 3413, &
3433, 3449, 3457, 3461, 3463, 3467, 3469, 3491, 3499, 3511, &
3517, 3527, 3529, 3533, 3539, 3541, 3547, 3557, 3559, 3571 /)
npvec(501:600) = (/ &
3581, 3583, 3593, 3607, 3613, 3617, 3623, 3631, 3637, 3643, &
3659, 3671, 3673, 3677, 3691, 3697, 3701, 3709, 3719, 3727, &
3733, 3739, 3761, 3767, 3769, 3779, 3793, 3797, 3803, 3821, &
3823, 3833, 3847, 3851, 3853, 3863, 3877, 3881, 3889, 3907, &
3911, 3917, 3919, 3923, 3929, 3931, 3943, 3947, 3967, 3989, &
4001, 4003, 4007, 4013, 4019, 4021, 4027, 4049, 4051, 4057, &
4073, 4079, 4091, 4093, 4099, 4111, 4127, 4129, 4133, 4139, &
4153, 4157, 4159, 4177, 4201, 4211, 4217, 4219, 4229, 4231, &
4241, 4243, 4253, 4259, 4261, 4271, 4273, 4283, 4289, 4297, &
4327, 4337, 4339, 4349, 4357, 4363, 4373, 4391, 4397, 4409 /)
npvec(601:700) = (/ &
4421, 4423, 4441, 4447, 4451, 4457, 4463, 4481, 4483, 4493, &
4507, 4513, 4517, 4519, 4523, 4547, 4549, 4561, 4567, 4583, &
4591, 4597, 4603, 4621, 4637, 4639, 4643, 4649, 4651, 4657, &
4663, 4673, 4679, 4691, 4703, 4721, 4723, 4729, 4733, 4751, &
4759, 4783, 4787, 4789, 4793, 4799, 4801, 4813, 4817, 4831, &
4861, 4871, 4877, 4889, 4903, 4909, 4919, 4931, 4933, 4937, &
4943, 4951, 4957, 4967, 4969, 4973, 4987, 4993, 4999, 5003, &
5009, 5011, 5021, 5023, 5039, 5051, 5059, 5077, 5081, 5087, &
5099, 5101, 5107, 5113, 5119, 5147, 5153, 5167, 5171, 5179, &
5189, 5197, 5209, 5227, 5231, 5233, 5237, 5261, 5273, 5279 /)
npvec(701:800) = (/ &
5281, 5297, 5303, 5309, 5323, 5333, 5347, 5351, 5381, 5387, &
5393, 5399, 5407, 5413, 5417, 5419, 5431, 5437, 5441, 5443, &
5449, 5471, 5477, 5479, 5483, 5501, 5503, 5507, 5519, 5521, &
5527, 5531, 5557, 5563, 5569, 5573, 5581, 5591, 5623, 5639, &
5641, 5647, 5651, 5653, 5657, 5659, 5669, 5683, 5689, 5693, &
5701, 5711, 5717, 5737, 5741, 5743, 5749, 5779, 5783, 5791, &
5801, 5807, 5813, 5821, 5827, 5839, 5843, 5849, 5851, 5857, &
5861, 5867, 5869, 5879, 5881, 5897, 5903, 5923, 5927, 5939, &
5953, 5981, 5987, 6007, 6011, 6029, 6037, 6043, 6047, 6053, &
6067, 6073, 6079, 6089, 6091, 6101, 6113, 6121, 6131, 6133 /)
npvec(801:900) = (/ &
6143, 6151, 6163, 6173, 6197, 6199, 6203, 6211, 6217, 6221, &
6229, 6247, 6257, 6263, 6269, 6271, 6277, 6287, 6299, 6301, &
6311, 6317, 6323, 6329, 6337, 6343, 6353, 6359, 6361, 6367, &
6373, 6379, 6389, 6397, 6421, 6427, 6449, 6451, 6469, 6473, &
6481, 6491, 6521, 6529, 6547, 6551, 6553, 6563, 6569, 6571, &
6577, 6581, 6599, 6607, 6619, 6637, 6653, 6659, 6661, 6673, &
6679, 6689, 6691, 6701, 6703, 6709, 6719, 6733, 6737, 6761, &
6763, 6779, 6781, 6791, 6793, 6803, 6823, 6827, 6829, 6833, &
6841, 6857, 6863, 6869, 6871, 6883, 6899, 6907, 6911, 6917, &
6947, 6949, 6959, 6961, 6967, 6971, 6977, 6983, 6991, 6997 /)
npvec(901:1000) = (/ &
7001, 7013, 7019, 7027, 7039, 7043, 7057, 7069, 7079, 7103, &
7109, 7121, 7127, 7129, 7151, 7159, 7177, 7187, 7193, 7207, &
7211, 7213, 7219, 7229, 7237, 7243, 7247, 7253, 7283, 7297, &
7307, 7309, 7321, 7331, 7333, 7349, 7351, 7369, 7393, 7411, &
7417, 7433, 7451, 7457, 7459, 7477, 7481, 7487, 7489, 7499, &
7507, 7517, 7523, 7529, 7537, 7541, 7547, 7549, 7559, 7561, &
7573, 7577, 7583, 7589, 7591, 7603, 7607, 7621, 7639, 7643, &
7649, 7669, 7673, 7681, 7687, 7691, 7699, 7703, 7717, 7723, &
7727, 7741, 7753, 7757, 7759, 7789, 7793, 7817, 7823, 7829, &
7841, 7853, 7867, 7873, 7877, 7879, 7883, 7901, 7907, 7919 /)
npvec(1001:1100) = (/ &
7927, 7933, 7937, 7949, 7951, 7963, 7993, 8009, 8011, 8017, &
8039, 8053, 8059, 8069, 8081, 8087, 8089, 8093, 8101, 8111, &
8117, 8123, 8147, 8161, 8167, 8171, 8179, 8191, 8209, 8219, &
8221, 8231, 8233, 8237, 8243, 8263, 8269, 8273, 8287, 8291, &
8293, 8297, 8311, 8317, 8329, 8353, 8363, 8369, 8377, 8387, &
8389, 8419, 8423, 8429, 8431, 8443, 8447, 8461, 8467, 8501, &
8513, 8521, 8527, 8537, 8539, 8543, 8563, 8573, 8581, 8597, &
8599, 8609, 8623, 8627, 8629, 8641, 8647, 8663, 8669, 8677, &
8681, 8689, 8693, 8699, 8707, 8713, 8719, 8731, 8737, 8741, &
8747, 8753, 8761, 8779, 8783, 8803, 8807, 8819, 8821, 8831 /)
npvec(1101:1200) = (/ &
8837, 8839, 8849, 8861, 8863, 8867, 8887, 8893, 8923, 8929, &
8933, 8941, 8951, 8963, 8969, 8971, 8999, 9001, 9007, 9011, &
9013, 9029, 9041, 9043, 9049, 9059, 9067, 9091, 9103, 9109, &
9127, 9133, 9137, 9151, 9157, 9161, 9173, 9181, 9187, 9199, &
9203, 9209, 9221, 9227, 9239, 9241, 9257, 9277, 9281, 9283, &
9293, 9311, 9319, 9323, 9337, 9341, 9343, 9349, 9371, 9377, &
9391, 9397, 9403, 9413, 9419, 9421, 9431, 9433, 9437, 9439, &
9461, 9463, 9467, 9473, 9479, 9491, 9497, 9511, 9521, 9533, &
9539, 9547, 9551, 9587, 9601, 9613, 9619, 9623, 9629, 9631, &
9643, 9649, 9661, 9677, 9679, 9689, 9697, 9719, 9721, 9733 /)
npvec(1201:1300) = (/ &
9739, 9743, 9749, 9767, 9769, 9781, 9787, 9791, 9803, 9811, &
9817, 9829, 9833, 9839, 9851, 9857, 9859, 9871, 9883, 9887, &
9901, 9907, 9923, 9929, 9931, 9941, 9949, 9967, 9973,10007, &
10009,10037,10039,10061,10067,10069,10079,10091,10093,10099, &
10103,10111,10133,10139,10141,10151,10159,10163,10169,10177, &
10181,10193,10211,10223,10243,10247,10253,10259,10267,10271, &
10273,10289,10301,10303,10313,10321,10331,10333,10337,10343, &
10357,10369,10391,10399,10427,10429,10433,10453,10457,10459, &
10463,10477,10487,10499,10501,10513,10529,10531,10559,10567, &
10589,10597,10601,10607,10613,10627,10631,10639,10651,10657 /)
npvec(1301:1400) = (/ &
10663,10667,10687,10691,10709,10711,10723,10729,10733,10739, &
10753,10771,10781,10789,10799,10831,10837,10847,10853,10859, &
10861,10867,10883,10889,10891,10903,10909,19037,10939,10949, &
10957,10973,10979,10987,10993,11003,11027,11047,11057,11059, &
11069,11071,11083,11087,11093,11113,11117,11119,11131,11149, &
11159,11161,11171,11173,11177,11197,11213,11239,11243,11251, &
11257,11261,11273,11279,11287,11299,11311,11317,11321,11329, &
11351,11353,11369,11383,11393,11399,11411,11423,11437,11443, &
11447,11467,11471,11483,11489,11491,11497,11503,11519,11527, &
11549,11551,11579,11587,11593,11597,11617,11621,11633,11657 /)
npvec(1401:1500) = (/ &
11677,11681,11689,11699,11701,11717,11719,11731,11743,11777, &
11779,11783,11789,11801,11807,11813,11821,11827,11831,11833, &
11839,11863,11867,11887,11897,11903,11909,11923,11927,11933, &
11939,11941,11953,11959,11969,11971,11981,11987,12007,12011, &
12037,12041,12043,12049,12071,12073,12097,12101,12107,12109, &
12113,12119,12143,12149,12157,12161,12163,12197,12203,12211, &
12227,12239,12241,12251,12253,12263,12269,12277,12281,12289, &
12301,12323,12329,12343,12347,12373,12377,12379,12391,12401, &
12409,12413,12421,12433,12437,12451,12457,12473,12479,12487, &
12491,12497,12503,12511,12517,12527,12539,12541,12547,12553 /)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
end if
if ( n == -1 ) then
prime = prime_max
else if ( n == 0 ) then
prime = 1
else if ( n <= prime_max ) then
prime = npvec(n)
else
prime = 0
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
!$OMP CRITICAL (write2out)
rewrote _sampleXXXori functions set of angles is now always an array
2007-03-29 21:02:52 +05:30
write ( 6, '(a)' ) ' '
write ( 6, '(a)' ) 'PRIME - Fatal error!'
write ( 6, '(a,i6)' ) ' Illegal prime index N = ', n
write ( 6, '(a,i6)' ) ' N must be between 0 and PRIME_MAX =',prime_max
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
call flush(6)
added math_mul33x33, 66x66, and 99x99 to avoid OMP_Critical "evilmatmul"
2008-07-09 01:08:22 +05:30
!$OMP END CRITICAL (write2out)
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
stop
end if
corrected makefile, now working again without giving standard values explicitly. did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 15:41:32 +05:30
endfunction prime
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
!**************************************************************************
! volume of tetrahedron given by four vertices
!**************************************************************************
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
pure function math_volTetrahedron(v1,v2,v3,v4)
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
use prec, only: pReal
implicit none
real(pReal) math_volTetrahedron
real(pReal), dimension (3), intent(in) :: v1,v2,v3,v4
real(pReal), dimension (3,3) :: m
let's see whether this is the thing to do..!?!?
2007-03-20 19:25:22 +05:30
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
m(:,1) = v1-v2
m(:,2) = v2-v3
m(:,3) = v3-v4
math_volTetrahedron = math_det3x3(m)/6.0_pReal
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
endfunction math_volTetrahedron
changed Line Ending to Unix style (LF)
2009-01-20 00:40:58 +05:30
END MODULE math