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Merge branch 'development' into 20-NewStyleDislotwin

This commit is contained in:
Martin Diehl 2018-10-01 21:16:11 +02:00
parent c3380aa9f3 d5cf7d2144
commit ddfbe19f02
13 changed files with 630 additions and 778 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit df3b567c90dbcb291a5c2563d3984fce346cb55b Subproject commit 02a391e38d1a44a8cfd2f169687a9d9f314a8146

2
VERSION
View File

@ -1 +1 @@
v2.0.2-558-gdfba3c9b v2.0.2-591-ga00d15b8

11
examples/ConfigFiles/Crystallite_All.config
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@ -5,15 +5,10 @@
(output) orientation # quaternion (output) orientation # quaternion
(output) eulerangles # orientation as Bunge triple in degree (output) eulerangles # orientation as Bunge triple in degree
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) in crystal reference coordinates (output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) in crystal reference coordinates
(output) grainrotationx # deviation from initial orientation as angle in degrees around sample reference x axis (output) f # deformation gradient tensor
(output) grainrotationy # deviation from initial orientation as angle in degrees around sample reference y axis
(output) grainrotationz # deviation from initial orientation as angle in degrees around sample reference z axis
(output) f # deformation gradient tensor; synonyms: "defgrad"
(output) fe # elastic deformation gradient tensor (output) fe # elastic deformation gradient tensor
(output) fp # plastic deformation gradient tensor (output) fp # plastic deformation gradient tensor
(output) e # total strain as Green-Lagrange tensor (output) p # first Piola-Kichhoff stress tensor
(output) ee # elastic strain as Green-Lagrange tensor (output) s # second Piola-Kichhoff stress tensor
(output) p # first Piola-Kichhoff stress tensor; synonyms: "firstpiola", "1stpiola"
(output) s # second Piola-Kichhoff stress tensor; synonyms: "tstar", "secondpiola", "2ndpiola"
(output) lp # plastic velocity gradient tensor (output) lp # plastic velocity gradient tensor
(output) elasmatrix # elastic stiffness matrix (output) elasmatrix # elastic stiffness matrix

3
examples/SpectralMethod/Polycrystal/material.config
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@ -18,8 +18,6 @@ mech none
(output) f # deformation gradient tensor; synonyms: "defgrad" (output) f # deformation gradient tensor; synonyms: "defgrad"
(output) fe # elastic deformation gradient tensor (output) fe # elastic deformation gradient tensor
(output) fp # plastic deformation gradient tensor (output) fp # plastic deformation gradient tensor
(output) e # total strain as Green-Lagrange tensor
(output) ee # elastic strain as Green-Lagrange tensor
(output) p # first Piola-Kichhoff stress tensor; synonyms: "firstpiola", "1stpiola" (output) p # first Piola-Kichhoff stress tensor; synonyms: "firstpiola", "1stpiola"
(output) lp # plastic velocity gradient tensor (output) lp # plastic velocity gradient tensor
@ -56,7 +54,6 @@ h0_slipslip 75e6
interaction_slipslip 1 1 1.4 1.4 1.4 1.4 interaction_slipslip 1 1 1.4 1.4 1.4 1.4
atol_resistance 1 atol_resistance 1
#-------------------# #-------------------#
<microstructure> <microstructure>
#-------------------# #-------------------#

4
installation/patch/python2to3.sh
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@ -1,8 +1,8 @@
#! /usr/bin/env bash #! /usr/bin/env bash
if [ $1x != 3to2x ]; then if [ $1x != 3to2x ]; then
echo 'python2.7 to python' echo 'python2.7 to python'
find . -name '*.py' | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python/g' find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python2.7/usr\/bin\/env python/g'
else else
echo 'python to python2.7' echo 'python to python2.7'
find . -name '*.py' | xargs sed -i 's/usr\/bin\/env python/usr\/bin\/env python2.7/g' find . -name '*.py' -type f | xargs sed -i 's/usr\/bin\/env python/usr\/bin\/env python2.7/g'
fi fi

77
lib/damask/asciitable.py
View File

@ -1,14 +1,14 @@
# -*- coding: UTF-8 no BOM -*- # -*- coding: UTF-8 no BOM -*-
import os,sys import os, sys
import numpy as np import numpy as np
# ------------------------------------------------------------------ # ------------------------------------------------------------------
# python 3 has no unicode object, this ensures that the code works on Python 2&3 # python 3 has no unicode object, this ensures that the code works on Python 2&3
try: try:
test=isinstance('test', unicode) test = isinstance('test', unicode)
except(NameError): except NameError:
unicode=str unicode = str
# ------------------------------------------------------------------ # ------------------------------------------------------------------
class ASCIItable(): class ASCIItable():
@ -63,16 +63,17 @@ class ASCIItable():
x): x):
try: try:
return float(x) return float(x)
except: except ValueError:
return 0.0 return 0.0
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def _removeCRLF(self, def _removeCRLF(self,
string): string):
"""Delete any carriage return and line feed from string"""
try: try:
return string.replace('\n','').replace('\r','') return string.replace('\n','').replace('\r','')
except: except AttributeError:
return string return str(string)
# ------------------------------------------------------------------ # ------------------------------------------------------------------
@ -93,22 +94,22 @@ class ASCIItable():
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def input_close(self): def input_close(self):
try: # try:
if self.__IO__['in'] != sys.stdin: self.__IO__['in'].close() if self.__IO__['in'] != sys.stdin: self.__IO__['in'].close()
except: # except:
pass # pass
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def output_write(self, def output_write(self,
what): what):
"""Aggregate a single row (string) or list of (possibly containing further lists of) rows into output""" """Aggregate a single row (string) or list of (possibly containing further lists of) rows into output"""
if not isinstance(what, (str, unicode)): if isinstance(what, (str, unicode)):
self.__IO__['output'] += [what]
else:
try: try:
for item in what: self.output_write(item) for item in what: self.output_write(item)
except: except TypeError:
self.__IO__['output'] += [str(what)] self.__IO__['output'] += [str(what)]
else:
self.__IO__['output'] += [what]
return self.__IO__['buffered'] or self.output_flush() return self.__IO__['buffered'] or self.output_flush()
@ -129,10 +130,10 @@ class ASCIItable():
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def output_close(self, def output_close(self,
dismiss = False): dismiss = False):
try: # try:
if self.__IO__['out'] != sys.stdout: self.__IO__['out'].close() if self.__IO__['out'] != sys.stdout: self.__IO__['out'].close()
except: # except:
pass # pass
if dismiss and os.path.isfile(self.__IO__['out'].name): if dismiss and os.path.isfile(self.__IO__['out'].name):
os.remove(self.__IO__['out'].name) os.remove(self.__IO__['out'].name)
elif self.__IO__['inPlace']: elif self.__IO__['inPlace']:
@ -150,7 +151,7 @@ class ASCIItable():
try: try:
self.__IO__['in'].seek(0) self.__IO__['in'].seek(0)
except: except IOError:
pass pass
firstline = self.__IO__['in'].readline().strip() firstline = self.__IO__['in'].readline().strip()
@ -170,7 +171,7 @@ class ASCIItable():
else: # other table format else: # other table format
try: try:
self.__IO__['in'].seek(0) # try to rewind self.__IO__['in'].seek(0) # try to rewind
except: except IOError:
self.__IO__['readBuffer'] = [firstline] # or at least save data in buffer self.__IO__['readBuffer'] = [firstline] # or at least save data in buffer
while self.data_read(advance = False, respectLabels = False): while self.data_read(advance = False, respectLabels = False):
@ -197,7 +198,9 @@ class ASCIItable():
"""Write current header information (info + labels)""" """Write current header information (info + labels)"""
head = ['{}\theader'.format(len(self.info)+self.__IO__['labeled'])] if header else [] head = ['{}\theader'.format(len(self.info)+self.__IO__['labeled'])] if header else []
head.append(self.info) head.append(self.info)
if self.__IO__['labeled']: head.append('\t'.join(map(self._quote,self.tags))) if self.__IO__['labeled']:
head.append('\t'.join(map(self._quote,self.tags)))
if len(self.tags) == 0: raise ValueError('no labels present.')
return self.output_write(head) return self.output_write(head)
@ -257,13 +260,13 @@ class ASCIItable():
what, what,
reset = False): reset = False):
"""Add item or list to existing set of labels (and switch on labeling)""" """Add item or list to existing set of labels (and switch on labeling)"""
if not isinstance(what, (str, unicode)): if isinstance(what, (str, unicode)):
self.tags += [self._removeCRLF(what)]
else:
try: try:
for item in what: self.labels_append(item) for item in what: self.labels_append(item)
except: except TypeError:
self.tags += [self._removeCRLF(str(what))] self.tags += [self._removeCRLF(str(what))]
else:
self.tags += [self._removeCRLF(what)]
self.__IO__['labeled'] = True # switch on processing (in particular writing) of tags self.__IO__['labeled'] = True # switch on processing (in particular writing) of tags
if reset: self.__IO__['tags'] = list(self.tags) # subsequent data_read uses current tags as data size if reset: self.__IO__['tags'] = list(self.tags) # subsequent data_read uses current tags as data size
@ -410,13 +413,13 @@ class ASCIItable():
def info_append(self, def info_append(self,
what): what):
"""Add item or list to existing set of infos""" """Add item or list to existing set of infos"""
if not isinstance(what, (str, unicode)): if isinstance(what, (str, unicode)):
self.info += [self._removeCRLF(what)]
else:
try: try:
for item in what: self.info_append(item) for item in what: self.info_append(item)
except: except TypeError:
self.info += [self._removeCRLF(str(what))] self.info += [self._removeCRLF(str(what))]
else:
self.info += [self._removeCRLF(what)]
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def info_clear(self): def info_clear(self):
@ -468,10 +471,8 @@ class ASCIItable():
"""Read whole data of all (given) labels as numpy array""" """Read whole data of all (given) labels as numpy array"""
from collections import Iterable from collections import Iterable
try: try: self.data_rewind() # try to wind back to start of data
self.data_rewind() # try to wind back to start of data except: pass # assume/hope we are at data start already...
except:
pass # assume/hope we are at data start already...
if labels is None or labels == []: if labels is None or labels == []:
use = None # use all columns (and keep labels intact) use = None # use all columns (and keep labels intact)
@ -530,13 +531,13 @@ class ASCIItable():
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def data_append(self, def data_append(self,
what): what):
if not isinstance(what, (str, unicode)): if isinstance(what, (str, unicode)):
self.data += [what]
else:
try: try:
for item in what: self.data_append(item) for item in what: self.data_append(item)
except: except TypeError:
self.data += [str(what)] self.data += [str(what)]
else:
self.data += [what]
# ------------------------------------------------------------------ # ------------------------------------------------------------------
def data_set(self, def data_set(self,

2
processing/pre/geom_fromOsteonGeometry.py
View File

@ -65,7 +65,7 @@ if np.any(np.array(options.size) <= 0.0):
if filename == []: filename = [None] if filename == []: filename = [None]
table = damask.ASCIItable(outname = filename[0], table = damask.ASCIItable(outname = filename[0],
buffered = False) buffered = False, labeled=False)
damask.util.report(scriptName,filename[0]) damask.util.report(scriptName,filename[0])

57
src/constitutive.f90
View File

@ -440,7 +440,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
math_Mandel33to6, & math_Mandel33to6, &
math_Plain99to3333 math_Plain99to3333
use material, only: & use material, only: &
phasememberAt, &
phase_plasticity, & phase_plasticity, &
phase_plasticityInstance, &
material_phase, & material_phase, &
material_homog, & material_homog, &
temperature, & temperature, &
@ -490,7 +492,7 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
ho, & !< homogenization ho, & !< homogenization
tme !< thermal member position tme !< thermal member position
integer(pInt) :: & integer(pInt) :: &
i, j i, j, instance, of
ho = material_homog(ip,el) ho = material_homog(ip,el)
tme = thermalMapping(ho)%p(ip,el) tme = thermalMapping(ho)%p(ip,el)
@ -509,8 +511,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el) of = phasememberAt(ipc,ip,el)
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget instance = phase_plasticityInstance(material_phase(ipc,ip,el))
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el) call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el)
@ -817,6 +820,7 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
debug_constitutive, & debug_constitutive, &
debug_levelBasic debug_levelBasic
use math, only: & use math, only: &
math_mul33x33, &
math_Mandel6to33, & math_Mandel6to33, &
math_Mandel33to6, & math_Mandel33to6, &
math_mul33x33 math_mul33x33
@ -824,6 +828,8 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips mesh_maxNips
use material, only: & use material, only: &
phasememberAt, &
phase_plasticityInstance, &
phase_plasticity, & phase_plasticity, &
phase_source, & phase_source, &
phase_Nsources, & phase_Nsources, &
@ -881,38 +887,41 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
real(pReal), intent(in), dimension(6) :: & real(pReal), intent(in), dimension(6) :: &
S6 !< 2nd Piola Kirchhoff stress (vector notation) S6 !< 2nd Piola Kirchhoff stress (vector notation)
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
Mstar Mp
integer(pInt) :: & integer(pInt) :: &
ho, & !< homogenization ho, & !< homogenization
tme, & !< thermal member position tme, & !< thermal member position
s !< counter in source loop s, & !< counter in source loop
instance, of
ho = material_homog( ip,el) ho = material_homog( ip,el)
tme = thermalMapping(ho)%p(ip,el) tme = thermalMapping(ho)%p(ip,el)
Mstar = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6)) Mp = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_ISOTROPIC_ID) plasticityType case (PLASTICITY_ISOTROPIC_ID) plasticityType
call plastic_isotropic_dotState (math_Mandel33to6(Mstar),ipc,ip,el) call plastic_isotropic_dotState (math_Mandel33to6(Mp),ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_dotState(math_Mandel33to6(Mstar),ipc,ip,el) of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
call plastic_phenopowerlaw_dotState(Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_dotState(math_Mandel33to6(Mstar),ipc,ip,el) call plastic_kinehardening_dotState(math_Mandel33to6(Mp),ipc,ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_dotState (Mstar,temperature(ho)%p(tme), & call plastic_dislotwin_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), &
ipc,ip,el) ipc,ip,el)
case (PLASTICITY_DISLOUCLA_ID) plasticityType case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloucla_dotState (math_Mandel33to6(Mstar),temperature(ho)%p(tme), & call plastic_disloucla_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), &
ipc,ip,el) ipc,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dotState (math_Mandel33to6(Mstar),FeArray,FpArray,temperature(ho)%p(tme), & call plastic_nonlocal_dotState (math_Mandel33to6(Mp),FeArray,FpArray,temperature(ho)%p(tme), &
subdt,subfracArray,ip,el) subdt,subfracArray,ip,el)
end select plasticityType end select plasticityType
@ -1026,13 +1035,18 @@ end subroutine constitutive_collectDeltaState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns array of constitutive results !> @brief returns array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function constitutive_postResults(S6, FeArray, ipc, ip, el) function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
use prec, only: & use prec, only: &
pReal pReal
use math, only: &
math_Mandel6to33, &
math_mul33x33
use mesh, only: & use mesh, only: &
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips mesh_maxNips
use material, only: & use material, only: &
phasememberAt, &
phase_plasticityInstance, &
plasticState, & plasticState, &
sourceState, & sourceState, &
phase_plasticity, & phase_plasticity, &
@ -1083,19 +1097,25 @@ function constitutive_postResults(S6, FeArray, ipc, ip, el)
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults + & real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults + &
sum(sourceState(material_phase(ipc,ip,el))%p(:)%sizePostResults)) :: & sum(sourceState(material_phase(ipc,ip,el))%p(:)%sizePostResults)) :: &
constitutive_postResults constitutive_postResults
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
FeArray !< elastic deformation gradient FeArray !< elastic deformation gradient
real(pReal), intent(in), dimension(6) :: & real(pReal), intent(in), dimension(6) :: &
S6 !< 2nd Piola Kirchhoff stress (vector notation) S6 !< 2nd Piola Kirchhoff stress (vector notation)
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress
integer(pInt) :: & integer(pInt) :: &
startPos, endPos startPos, endPos
integer(pInt) :: & integer(pInt) :: &
ho, & !< homogenization ho, & !< homogenization
tme, & !< thermal member position tme, & !< thermal member position
s !< counter in source loop s, of, instance !< counter in source loop
constitutive_postResults = 0.0_pReal constitutive_postResults = 0.0_pReal
Mp = math_mul33x33(math_mul33x33(transpose(Fi),Fi),math_Mandel6to33(S6))
ho = material_homog( ip,el) ho = material_homog( ip,el)
tme = thermalMapping(ho)%p(ip,el) tme = thermalMapping(ho)%p(ip,el)
@ -1104,10 +1124,13 @@ function constitutive_postResults(S6, FeArray, ipc, ip, el)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_ISOTROPIC_ID) plasticityType case (PLASTICITY_ISOTROPIC_ID) plasticityType
constitutive_postResults(startPos:endPos) = plastic_isotropic_postResults(S6,ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
constitutive_postResults(startPos:endPos) = & constitutive_postResults(startPos:endPos) = &
plastic_phenopowerlaw_postResults(S6,ipc,ip,el) plastic_isotropic_postResults(S6,ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
constitutive_postResults(startPos:endPos) = &
plastic_phenopowerlaw_postResults(Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType case (PLASTICITY_KINEHARDENING_ID) plasticityType
constitutive_postResults(startPos:endPos) = & constitutive_postResults(startPos:endPos) = &
plastic_kinehardening_postResults(S6,ipc,ip,el) plastic_kinehardening_postResults(S6,ipc,ip,el)

386
src/crystallite.f90
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File diff suppressed because it is too large Load Diff

32
src/homogenization.f90
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@ -448,8 +448,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
subStepSizeHomog, & subStepSizeHomog, &
stepIncreaseHomog, & stepIncreaseHomog, &
nMPstate nMPstate
use math, only: &
math_transpose33
use FEsolving, only: & use FEsolving, only: &
FEsolving_execElem, & FEsolving_execElem, &
FEsolving_execIP, & FEsolving_execIP, &
@ -496,6 +494,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
crystallite_converged, & crystallite_converged, &
crystallite_stressAndItsTangent, & crystallite_stressAndItsTangent, &
crystallite_orientations crystallite_orientations
#ifdef DEBUG
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_homogenization, & debug_homogenization, &
@ -504,6 +503,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
debug_levelSelective, & debug_levelSelective, &
debug_e, & debug_e, &
debug_i debug_i
#endif
implicit none implicit none
real(pReal), intent(in) :: dt !< time increment real(pReal), intent(in) :: dt !< time increment
@ -517,18 +517,16 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
mySource, & mySource, &
myNgrains myNgrains
!-------------------------------------------------------------------------------------------------- #ifdef DEBUG
! initialize to starting condition
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(/a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i write(6,'(/a,i5,1x,i2)') '<< HOMOG >> Material Point start at el ip ', debug_e, debug_i
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F0', &
math_transpose33(materialpoint_F0(1:3,1:3,debug_i,debug_e)) transpose(materialpoint_F0(1:3,1:3,debug_i,debug_e))
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', & write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< HOMOG >> F', &
math_transpose33(materialpoint_F(1:3,1:3,debug_i,debug_e)) transpose(materialpoint_F(1:3,1:3,debug_i,debug_e))
!$OMP END CRITICAL (write2out)
endif endif
#endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize restoration points of ... ! initialize restoration points of ...
@ -608,10 +606,8 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! calculate new subStep and new subFrac ! calculate new subStep and new subFrac
materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e) materialpoint_subFrac(i,e) = materialpoint_subFrac(i,e) + materialpoint_subStep(i,e)
!$OMP FLUSH(materialpoint_subFrac)
materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), & materialpoint_subStep(i,e) = min(1.0_pReal-materialpoint_subFrac(i,e), &
stepIncreaseHomog*materialpoint_subStep(i,e)) ! introduce flexibility for step increase/acceleration stepIncreaseHomog*materialpoint_subStep(i,e)) ! introduce flexibility for step increase/acceleration
!$OMP FLUSH(materialpoint_subStep)
steppingNeeded: if (materialpoint_subStep(i,e) > subStepMinHomog) then steppingNeeded: if (materialpoint_subStep(i,e) > subStepMinHomog) then
@ -671,7 +667,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
hydrogenfluxState(mappingHomogenization(2,i,e))%subState0(:,mappingHomogenization(1,i,e)) = & hydrogenfluxState(mappingHomogenization(2,i,e))%subState0(:,mappingHomogenization(1,i,e)) = &
hydrogenfluxState(mappingHomogenization(2,i,e))%State( :,mappingHomogenization(1,i,e))! ...internal hydrogen transport state hydrogenfluxState(mappingHomogenization(2,i,e))%State( :,mappingHomogenization(1,i,e))! ...internal hydrogen transport state
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e) ! ...def grad materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e) ! ...def grad
!$OMP FLUSH(materialpoint_subF0)
endif steppingNeeded endif steppingNeeded
else converged else converged
@ -689,7 +684,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
!$OMP END CRITICAL (setTerminallyIll) !$OMP END CRITICAL (setTerminallyIll)
else ! cutback makes sense else ! cutback makes sense
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
!$OMP FLUSH(materialpoint_subStep)
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0_pInt & if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0_pInt &
@ -752,8 +746,9 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
if (materialpoint_subStep(i,e) > subStepMinHomog) then if (materialpoint_subStep(i,e) > subStepMinHomog) then
materialpoint_requested(i,e) = .true. materialpoint_requested(i,e) = .true.
materialpoint_subF(1:3,1:3,i,e) = materialpoint_subF0(1:3,1:3,i,e) + & materialpoint_subF(1:3,1:3,i,e) = materialpoint_subF0(1:3,1:3,i,e) &
materialpoint_subStep(i,e) * (materialpoint_F(1:3,1:3,i,e) - materialpoint_F0(1:3,1:3,i,e)) + materialpoint_subStep(i,e) * (materialpoint_F(1:3,1:3,i,e) &
- materialpoint_F0(1:3,1:3,i,e))
materialpoint_subdt(i,e) = materialpoint_subStep(i,e) * dt materialpoint_subdt(i,e) = materialpoint_subStep(i,e) * dt
materialpoint_doneAndHappy(1:2,i,e) = [.false.,.true.] materialpoint_doneAndHappy(1:2,i,e) = [.false.,.true.]
endif endif
@ -810,13 +805,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
materialpoint_doneAndHappy(1:2,i,e) = homogenization_updateState(i,e) materialpoint_doneAndHappy(1:2,i,e) = homogenization_updateState(i,e)
materialpoint_converged(i,e) = all(materialpoint_doneAndHappy(1:2,i,e)) ! converged if done and happy materialpoint_converged(i,e) = all(materialpoint_doneAndHappy(1:2,i,e)) ! converged if done and happy
endif endif
!$OMP FLUSH(materialpoint_converged)
if (materialpoint_converged(i,e)) then
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionMPState)
!$OMP END CRITICAL (distributionMPState)
endif
endif
endif endif
enddo IpLooping3 enddo IpLooping3
enddo elementLooping3 enddo elementLooping3
@ -838,9 +826,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
enddo elementLooping4 enddo elementLooping4
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
else else
!$OMP CRITICAL (write2out)
write(6,'(/,a,/)') '<< HOMOG >> Material Point terminally ill' write(6,'(/,a,/)') '<< HOMOG >> Material Point terminally ill'
!$OMP END CRITICAL (write2out)
endif endif
end subroutine materialpoint_stressAndItsTangent end subroutine materialpoint_stressAndItsTangent

4
src/homogenization_RGC.f90
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@ -942,10 +942,10 @@ pure function homogenization_RGC_postResults(ip,el,avgP,avgF)
do o = 1_pInt,homogenization_Noutput(mesh_element(3,el)) do o = 1_pInt,homogenization_Noutput(mesh_element(3,el))
select case(homogenization_RGC_outputID(o,homID)) select case(homogenization_RGC_outputID(o,homID))
case (avgdefgrad_ID) case (avgdefgrad_ID)
homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(avgF,[9]) homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgF),[9])
c = c + 9_pInt c = c + 9_pInt
case (avgfirstpiola_ID) case (avgfirstpiola_ID)
homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(avgP,[9]) homogenization_RGC_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgP),[9])
c = c + 9_pInt c = c + 9_pInt
case (ipcoords_ID) case (ipcoords_ID)
homogenization_RGC_postResults(c+1_pInt:c+3_pInt) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates homogenization_RGC_postResults(c+1_pInt:c+3_pInt) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates

4
src/homogenization_isostrain.f90
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@ -300,10 +300,10 @@ pure function homogenization_isostrain_postResults(ip,el,avgP,avgF)
homogenization_isostrain_postResults(c+1_pInt) = real(homogenization_isostrain_Ngrains(homID),pReal) homogenization_isostrain_postResults(c+1_pInt) = real(homogenization_isostrain_Ngrains(homID),pReal)
c = c + 1_pInt c = c + 1_pInt
case (avgdefgrad_ID) case (avgdefgrad_ID)
homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(avgF,[9]) homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgF),[9])
c = c + 9_pInt c = c + 9_pInt
case (avgfirstpiola_ID) case (avgfirstpiola_ID)
homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(avgP,[9]) homogenization_isostrain_postResults(c+1_pInt:c+9_pInt) = reshape(transpose(avgP),[9])
c = c + 9_pInt c = c + 9_pInt
case (ipcoords_ID) case (ipcoords_ID)
homogenization_isostrain_postResults(c+1_pInt:c+3_pInt) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates homogenization_isostrain_postResults(c+1_pInt:c+3_pInt) = mesh_ipCoordinates(1:3,ip,el) ! current ip coordinates

816
src/plastic_phenopowerlaw.f90
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