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Merge branch '30_parsePhasePartOnce' into 20-NewStyleDislotwin

This commit is contained in:
Martin Diehl 2018-06-27 11:24:42 +02:00
parent 90d9724b9f 78f9a107fe
commit 158e6fd601
7 changed files with 366 additions and 298 deletions
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4
src/IO.f90
View File

@ -560,8 +560,8 @@ function IO_hybridIA(Nast,ODFfileName)
IO_hybridIA = 0.0_pReal ! initialize return value for case of error IO_hybridIA = 0.0_pReal ! initialize return value for case of error
write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName) write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
write(6,'(/,a)') 'Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008' write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008'
write(6,'(/,a)') 'https://doi.org/10.1016/j.commatsci.2007.09.015' write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

210
src/config.f90
View File

@ -24,6 +24,7 @@ module config
contains contains
procedure :: add => add procedure :: add => add
procedure :: show => show procedure :: show => show
procedure :: free => free
procedure :: keyExists => keyExists procedure :: keyExists => keyExists
procedure :: countKeys => countKeys procedure :: countKeys => countKeys
@ -40,12 +41,12 @@ module config
type(tPartitionedStringList), public :: emptyList type(tPartitionedStringList), public :: emptyList
type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: & type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: & ! QUESTION: rename to config_XXX?
phaseConfig, & config_phase, &
microstructureConfig, & config_microstructure, &
homogenizationConfig, & config_homogenization, &
textureConfig, & config_texture, &
crystalliteConfig config_crystallite
character(len=64), dimension(:), allocatable, public, protected :: & character(len=64), dimension(:), allocatable, public, protected :: &
phase_name, & !< name of each phase phase_name, & !< name of each phase
@ -59,12 +60,12 @@ module config
MATERIAL_partHomogenization = 'homogenization', & !< keyword for homogenization part MATERIAL_partHomogenization = 'homogenization', & !< keyword for homogenization part
MATERIAL_partCrystallite = 'crystallite', & !< keyword for crystallite part MATERIAL_partCrystallite = 'crystallite', & !< keyword for crystallite part
MATERIAL_partPhase = 'phase', & !< keyword for phase part MATERIAL_partPhase = 'phase', & !< keyword for phase part
MATERIAL_partMicrostructure = 'microstructure', & !< keyword for microstructure part MATERIAL_partMicrostructure = 'microstructure' !< keyword for microstructure part
character(len=*), parameter, private :: &
MATERIAL_partTexture = 'texture' !< keyword for texture part MATERIAL_partTexture = 'texture' !< keyword for texture part
! ToDo: Remove, use size(phaseConfig) etc ! ToDo: Remove, use size(config_phase) etc
integer(pInt), public, protected :: & integer(pInt), public, protected :: &
material_Ntexture, & !< number of textures
material_Nphase, & !< number of phases material_Nphase, & !< number of phases
material_Nhomogenization, & !< number of homogenizations material_Nhomogenization, & !< number of homogenizations
material_Nmicrostructure, & !< number of microstructures material_Nmicrostructure, & !< number of microstructures
@ -76,10 +77,15 @@ module config
MATERIAL_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file MATERIAL_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file
public :: config_init public :: &
config_init, &
config_deallocate
contains contains
!--------------------------------------------------------------------------------------------------
!> @brief reads material.config and stores its content per part
!--------------------------------------------------------------------------------------------------
subroutine config_init() subroutine config_init()
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: & use, intrinsic :: iso_fortran_env, only: &
@ -108,13 +114,12 @@ subroutine config_init()
line, & line, &
part part
write(6,'(/,a)') ' <<<+- config init -+>>>'
myDebug = debug_level(debug_material)
write(6,'(/,a)') ' <<<+- material init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
myDebug = debug_level(debug_material)
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present... if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(FILEUNIT,material_configFile) ! ...open material.config file call IO_open_file(FILEUNIT,material_configFile) ! ...open material.config file
@ -126,23 +131,23 @@ subroutine config_init()
select case (trim(part)) select case (trim(part))
case (trim(material_partPhase)) case (trim(material_partPhase))
call parseFile(line,phase_name,phaseConfig,FILEUNIT) call parseFile(line,phase_name,config_phase,FILEUNIT)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
case (trim(material_partMicrostructure)) case (trim(material_partMicrostructure))
call parseFile(line,microstructure_name,microstructureConfig,FILEUNIT) call parseFile(line,microstructure_name,config_microstructure,FILEUNIT)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
case (trim(material_partCrystallite)) case (trim(material_partCrystallite))
call parseFile(line,crystallite_name,crystalliteConfig,FILEUNIT) call parseFile(line,crystallite_name,config_crystallite,FILEUNIT)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
case (trim(material_partHomogenization)) case (trim(material_partHomogenization))
call parseFile(line,homogenization_name,homogenizationConfig,FILEUNIT) call parseFile(line,homogenization_name,config_homogenization,FILEUNIT)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
case (trim(material_partTexture)) case (trim(material_partTexture))
call parseFile(line,texture_name,textureConfig,FILEUNIT) call parseFile(line,texture_name,config_texture,FILEUNIT)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
case default case default
@ -152,22 +157,21 @@ subroutine config_init()
enddo enddo
material_Nhomogenization = size(homogenizationConfig) material_Nhomogenization = size(config_homogenization)
if (material_Nhomogenization < 1_pInt) call IO_error(160_pInt,ext_msg=material_partHomogenization) if (material_Nhomogenization < 1_pInt) call IO_error(160_pInt,ext_msg=material_partHomogenization)
material_Nmicrostructure = size(microstructureConfig) material_Nmicrostructure = size(config_microstructure)
if (material_Nmicrostructure < 1_pInt) call IO_error(160_pInt,ext_msg=material_partMicrostructure) if (material_Nmicrostructure < 1_pInt) call IO_error(160_pInt,ext_msg=material_partMicrostructure)
material_Ncrystallite = size(crystalliteConfig) material_Ncrystallite = size(config_crystallite)
if (material_Ncrystallite < 1_pInt) call IO_error(160_pInt,ext_msg=material_partCrystallite) if (material_Ncrystallite < 1_pInt) call IO_error(160_pInt,ext_msg=material_partCrystallite)
material_Nphase = size(phaseConfig) material_Nphase = size(config_phase)
if (material_Nphase < 1_pInt) call IO_error(160_pInt,ext_msg=material_partPhase) if (material_Nphase < 1_pInt) call IO_error(160_pInt,ext_msg=material_partPhase)
material_Ntexture = size(textureConfig) if (size(config_texture) < 1_pInt) call IO_error(160_pInt,ext_msg=material_partTexture)
if (material_Ntexture < 1_pInt) call IO_error(160_pInt,ext_msg=material_partTexture)
end subroutine config_init end subroutine config_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part in the material configuration file !> @brief parses the material.config file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine parseFile(line,& subroutine parseFile(line,&
sectionNames,part,fileUnit) sectionNames,part,fileUnit)
@ -201,7 +205,7 @@ subroutine parseFile(line,&
line = IO_read(fileUnit) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
foundNextPart: if (IO_getTag(line,'<','>') /= '') then foundNextPart: if (IO_getTag(line,'<','>') /= '') then
devNull = IO_read(fileUnit, .true.) ! reset IO_read devNull = IO_read(fileUnit, .true.) ! reset IO_read to close any recursively included files
exit exit
endif foundNextPart endif foundNextPart
nextSection: if (IO_getTag(line,'[',']') /= '') then nextSection: if (IO_getTag(line,'[',']') /= '') then
@ -213,6 +217,7 @@ subroutine parseFile(line,&
else GfortranBug86033 else GfortranBug86033
sectionNames = [sectionNames,tag] sectionNames = [sectionNames,tag]
endif GfortranBug86033 endif GfortranBug86033
cycle
endif nextSection endif nextSection
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(trim(line),chunkPos,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(trim(line),chunkPos,1_pInt)) ! extract key
@ -228,8 +233,57 @@ subroutine parseFile(line,&
call part(s)%show() call part(s)%show()
end do end do
end if end if
end subroutine parseFile end subroutine parseFile
subroutine config_deallocate(what)
use IO, only: &
IO_error
implicit none
character(len=*), intent(in) :: what
integer(pInt) :: i
select case(what)
case('material.config/phase')
do i=1, size(config_phase)
call config_phase(i)%free
enddo
deallocate(config_phase)
case('material.config/microstructure')
do i=1, size(config_microstructure)
call config_microstructure(i)%free
enddo
deallocate(config_microstructure)
case('material.config/crystallite')
do i=1, size(config_crystallite)
call config_crystallite(i)%free
enddo
deallocate(config_crystallite)
case('material.config/homogenization')
do i=1, size(config_homogenization)
call config_homogenization(i)%free
enddo
deallocate(config_homogenization)
case('material.config/texture')
do i=1, size(config_texture)
call config_texture(i)%free
enddo
deallocate(config_texture)
case default
call IO_error(0_pInt,ext_msg='config_deallocate')
end select
end subroutine config_deallocate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief add element !> @brief add element
!> @details Adds a string together with the start/end position of chunks in this string. The new !> @details Adds a string together with the start/end position of chunks in this string. The new
@ -282,23 +336,26 @@ end subroutine show
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief deallocates all elements of a given list !> @brief cleans entire list
!> @details Strings are printed in order of insertion (FIFO) !> @details list head is remains alive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! subroutine free_all() subroutine free(this)
! implicit none
! implicit none
! type(node), pointer :: item class(tPartitionedStringList), target, intent(in) :: this
! type(tPartitionedStringList), pointer :: new, item
! do
! item => first if (.not. associated(this%next)) return
!
! if (associated(item) .eqv. .FALSE.) exit item => this%next
! do while (associated(item%next))
! first => first%next new => item
! deallocate(item) deallocate(item)
! end do item => new%next
! end subroutine free_all enddo
deallocate(item)
end subroutine free
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -368,8 +425,8 @@ real(pReal) function getFloat(this,key,defaultVal)
type(tPartitionedStringList), pointer :: item type(tPartitionedStringList), pointer :: item
logical :: found logical :: found
if (present(defaultVal)) getFloat = defaultVal
found = present(defaultVal) found = present(defaultVal)
if (found) getFloat = defaultVal
item => this%next item => this%next
do while (associated(item)) do while (associated(item))
@ -404,8 +461,8 @@ integer(pInt) function getInt(this,key,defaultVal)
type(tPartitionedStringList), pointer :: item type(tPartitionedStringList), pointer :: item
logical :: found logical :: found
if (present(defaultVal)) getInt = defaultVal
found = present(defaultVal) found = present(defaultVal)
if (found) getInt = defaultVal
item => this%next item => this%next
do while (associated(item)) do while (associated(item))
@ -440,11 +497,14 @@ character(len=65536) function getString(this,key,defaultVal,raw)
logical, intent(in), optional :: raw logical, intent(in), optional :: raw
type(tPartitionedStringList), pointer :: item type(tPartitionedStringList), pointer :: item
logical :: found, & logical :: found, &
split whole
if (present(defaultVal)) getString = defaultVal whole = merge(raw,.false.,present(raw)) ! whole string or white space splitting
split = merge(.not. raw,.true.,present(raw))
found = present(defaultVal) found = present(defaultVal)
if (found) then
getString = trim(defaultVal)
if (len_trim(getString) /= len_trim(defaultVal)) call IO_error(0_pInt,ext_msg='getString')
endif
item => this%next item => this%next
do while (associated(item)) do while (associated(item))
@ -452,10 +512,10 @@ character(len=65536) function getString(this,key,defaultVal,raw)
found = .true. found = .true.
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key) if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
if (split) then if (whole) then
getString = IO_StringValue(item%string%val,item%string%pos,2)
else
getString = trim(item%string%val(item%string%pos(4):)) ! raw string starting a second chunk getString = trim(item%string%val(item%string%pos(4):)) ! raw string starting a second chunk
else
getString = IO_StringValue(item%string%val,item%string%pos,2)
endif endif
endif endif
item => item%next item => item%next
@ -496,10 +556,7 @@ function getFloats(this,key,defaultVal)
do while (associated(item)) do while (associated(item))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
found = .true. found = .true.
if (.not. cumulative) then if (.not. cumulative) getFloats = [real(pReal)::]
deallocate(getFloats) ! use here rhs allocation with empty list
allocate(getFloats(0))
endif
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key) if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
do i = 2_pInt, item%string%pos(1) do i = 2_pInt, item%string%pos(1)
getFloats = [getFloats,IO_FloatValue(item%string%val,item%string%pos,i)] getFloats = [getFloats,IO_FloatValue(item%string%val,item%string%pos,i)]
@ -508,11 +565,9 @@ function getFloats(this,key,defaultVal)
item => item%next item => item%next
end do end do
if (present(defaultVal) .and. .not. found) then if (.not. found) then
getFloats = defaultVal if (present(defaultVal)) then; getFloats = defaultVal; else; call IO_error(140_pInt,ext_msg=key); endif
found = .true.
endif endif
if (.not. found) call IO_error(140_pInt,ext_msg=key)
end function getFloats end function getFloats
@ -547,10 +602,7 @@ function getInts(this,key,defaultVal)
do while (associated(item)) do while (associated(item))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
found = .true. found = .true.
if (.not. cumulative) then if (.not. cumulative) getInts = [integer(pInt)::]
deallocate(getInts) ! use here rhs allocation with empty list
allocate(getInts(0))
endif
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key) if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
do i = 2_pInt, item%string%pos(1) do i = 2_pInt, item%string%pos(1)
getInts = [getInts,IO_IntValue(item%string%val,item%string%pos,i)] getInts = [getInts,IO_IntValue(item%string%val,item%string%pos,i)]
@ -559,11 +611,9 @@ function getInts(this,key,defaultVal)
item => item%next item => item%next
end do end do
if (present(defaultVal) .and. .not. found) then if (.not. found) then
getInts = defaultVal if (present(defaultVal)) then; getInts = defaultVal; else; call IO_error(140_pInt,ext_msg=key); endif
found = .true.
endif endif
if (.not. found) call IO_error(140_pInt,ext_msg=key)
end function getInts end function getInts
@ -589,11 +639,11 @@ function getStrings(this,key,defaultVal,raw)
character(len=65536) :: str character(len=65536) :: str
integer(pInt) :: i integer(pInt) :: i
logical :: found, & logical :: found, &
split, & whole, &
cumulative cumulative
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')') cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
split = merge(.not. raw,.true.,present(raw)) whole = merge(raw,.false.,present(raw))
found = .false. found = .false.
item => this%next item => this%next
@ -604,36 +654,34 @@ function getStrings(this,key,defaultVal,raw)
if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key) if (item%string%pos(1) < 2_pInt) call IO_error(143_pInt,ext_msg=key)
notAllocated: if (.not. allocated(getStrings)) then notAllocated: if (.not. allocated(getStrings)) then
if (split) then if (whole) then
str = item%string%val(item%string%pos(4):)
getStrings = [str]
else
str = IO_StringValue(item%string%val,item%string%pos,2_pInt) str = IO_StringValue(item%string%val,item%string%pos,2_pInt)
allocate(getStrings(1),source=str) allocate(getStrings(1),source=str)
do i=3_pInt,item%string%pos(1) do i=3_pInt,item%string%pos(1)
str = IO_StringValue(item%string%val,item%string%pos,i) str = IO_StringValue(item%string%val,item%string%pos,i)
getStrings = [getStrings,str] getStrings = [getStrings,str]
enddo enddo
else
str = item%string%val(item%string%pos(4):)
getStrings = [str]
endif endif
else notAllocated else notAllocated
if (split) then if (whole) then
getStrings = [getStrings,str]
else
do i=2_pInt,item%string%pos(1) do i=2_pInt,item%string%pos(1)
str = IO_StringValue(item%string%val,item%string%pos,i) str = IO_StringValue(item%string%val,item%string%pos,i)
getStrings = [getStrings,str] getStrings = [getStrings,str]
enddo enddo
else
getStrings = [getStrings,str]
endif endif
endif notAllocated endif notAllocated
endif endif
item => item%next item => item%next
end do end do
if (present(defaultVal) .and. .not. found) then if (.not. found) then
getStrings = defaultVal if (present(defaultVal)) then; getStrings = defaultVal; else; call IO_error(140_pInt,ext_msg=key); endif
found = .true.
endif endif
if (.not. found) call IO_error(140_pInt,ext_msg=key)
end function getStrings end function getStrings

28
src/constitutive.f90
View File

@ -57,6 +57,8 @@ subroutine constitutive_init()
IO_write_jobFile, & IO_write_jobFile, &
IO_write_jobIntFile, & IO_write_jobIntFile, &
IO_timeStamp IO_timeStamp
use config, only: &
config_deallocate
use mesh, only: & use mesh, only: &
FE_geomtype FE_geomtype
use config, only: & use config, only: &
@ -190,6 +192,8 @@ subroutine constitutive_init()
if (any(phase_kinematics == KINEMATICS_hydrogen_strain_ID)) call kinematics_hydrogen_strain_init(FILEUNIT) if (any(phase_kinematics == KINEMATICS_hydrogen_strain_ID)) call kinematics_hydrogen_strain_init(FILEUNIT)
close(FILEUNIT) close(FILEUNIT)
call config_deallocate('material.config/phase')
write(6,'(/,a)') ' <<<+- constitutive init -+>>>' write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
@ -336,30 +340,6 @@ subroutine constitutive_init()
enddo PhaseLoop2 enddo PhaseLoop2
#ifdef TODO
!--------------------------------------------------------------------------------------------------
! report
constitutive_maxSizeState = maxval(constitutive_sizeState)
constitutive_plasticity_maxSizeDotState = maxval(constitutive_sizeDotState)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) then
write(6,'(a32,1x,7(i8,1x))') 'constitutive_state0: ', shape(constitutive_state0)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_partionedState0: ', shape(constitutive_partionedState0)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_subState0: ', shape(constitutive_subState0)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_state: ', shape(constitutive_state)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_aTolState: ', shape(constitutive_aTolState)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_dotState: ', shape(constitutive_dotState)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_deltaState: ', shape(constitutive_deltaState)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_sizeState: ', shape(constitutive_sizeState)
write(6,'(a32,1x,7(i8,1x))') 'constitutive_sizeDotState: ', shape(constitutive_sizeDotState)
write(6,'(a32,1x,7(i8,1x),/)') 'constitutive_sizePostResults: ', shape(constitutive_sizePostResults)
write(6,'(a32,1x,7(i8,1x))') 'maxSizeState: ', constitutive_maxSizeState
write(6,'(a32,1x,7(i8,1x))') 'maxSizeDotState: ', constitutive_plasticity_maxSizeDotState
write(6,'(a32,1x,7(i8,1x))') 'maxSizePostResults: ', constitutive_plasticity_maxSizePostResults
endif
flush(6)
#endif
end subroutine constitutive_init end subroutine constitutive_init

27
src/crystallite.f90
View File

@ -171,7 +171,10 @@ subroutine crystallite_init
IO_write_jobFile, & IO_write_jobFile, &
IO_error IO_error
use material use material
use config use config, only: &
config_crystallite, &
crystallite_name, &
config_deallocate
use constitutive, only: & use constitutive, only: &
constitutive_initialFi, & constitutive_initialFi, &
constitutive_microstructure ! derived (shortcut) quantities of given state constitutive_microstructure ! derived (shortcut) quantities of given state
@ -259,21 +262,21 @@ subroutine crystallite_init
allocate(crystallite_clearToCutback(iMax,eMax), source=.true.) allocate(crystallite_clearToCutback(iMax,eMax), source=.true.)
allocate(crystallite_neighborEnforcedCutback(iMax,eMax), source=.false.) allocate(crystallite_neighborEnforcedCutback(iMax,eMax), source=.false.)
allocate(crystallite_output(maxval(crystallite_Noutput), & allocate(crystallite_output(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_output = '' size(config_crystallite))) ; crystallite_output = ''
allocate(crystallite_outputID(maxval(crystallite_Noutput), & allocate(crystallite_outputID(maxval(crystallite_Noutput), &
material_Ncrystallite), source=undefined_ID) size(config_crystallite)), source=undefined_ID)
allocate(crystallite_sizePostResults(material_Ncrystallite),source=0_pInt) allocate(crystallite_sizePostResults(size(config_crystallite)),source=0_pInt)
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), & allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
material_Ncrystallite), source=0_pInt) size(config_crystallite)), source=0_pInt)
do c = 1_pInt, material_Ncrystallite do c = 1_pInt, size(config_crystallite)
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
str = ['GfortranBug86277'] str = ['GfortranBug86277']
str = crystalliteConfig(c)%getStrings('(output)',defaultVal=str) str = config_crystallite(c)%getStrings('(output)',defaultVal=str)
if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] if (str(1) == 'GfortranBug86277') str = [character(len=65536)::]
#else #else
str = crystalliteConfig(c)%getStrings('(output)',defaultVal=[character(len=65536)::]) str = config_crystallite(c)%getStrings('(output)',defaultVal=[character(len=65536)::])
#endif #endif
do o = 1_pInt, size(str) do o = 1_pInt, size(str)
crystallite_output(o,c) = str(o) crystallite_output(o,c) = str(o)
@ -329,7 +332,7 @@ subroutine crystallite_init
enddo enddo
do r = 1_pInt,material_Ncrystallite do r = 1_pInt,size(config_crystallite)
do o = 1_pInt,crystallite_Noutput(r) do o = 1_pInt,crystallite_Noutput(r)
select case(crystallite_outputID(o,r)) select case(crystallite_outputID(o,r))
case(phase_ID,texture_ID,volume_ID,grainrotationx_ID,grainrotationy_ID,grainrotationz_ID) case(phase_ID,texture_ID,volume_ID,grainrotationx_ID,grainrotationy_ID,grainrotationz_ID)
@ -354,14 +357,14 @@ subroutine crystallite_init
crystallite_maxSizePostResults = & crystallite_maxSizePostResults = &
maxval(crystallite_sizePostResults(microstructure_crystallite),microstructure_active) maxval(crystallite_sizePostResults(microstructure_crystallite),microstructure_active)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write description file for crystallite output ! write description file for crystallite output
if (worldrank == 0_pInt) then if (worldrank == 0_pInt) then
call IO_write_jobFile(FILEUNIT,'outputCrystallite') call IO_write_jobFile(FILEUNIT,'outputCrystallite')
do r = 1_pInt,material_Ncrystallite do r = 1_pInt,size(config_crystallite)
if (any(microstructure_crystallite(mesh_element(4,:)) == r)) then if (any(microstructure_crystallite(mesh_element(4,:)) == r)) then
write(FILEUNIT,'(/,a,/)') '['//trim(crystallite_name(r))//']' write(FILEUNIT,'(/,a,/)') '['//trim(crystallite_name(r))//']'
do o = 1_pInt,crystallite_Noutput(r) do o = 1_pInt,crystallite_Noutput(r)
@ -373,6 +376,8 @@ subroutine crystallite_init
close(FILEUNIT) close(FILEUNIT)
endif endif
call config_deallocate('material.config/crystallite')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize ! initialize
!$OMP PARALLEL DO PRIVATE(myNcomponents) !$OMP PARALLEL DO PRIVATE(myNcomponents)

13
src/homogenization.f90
View File

@ -100,8 +100,13 @@ subroutine homogenization_init
use crystallite, only: & use crystallite, only: &
crystallite_maxSizePostResults crystallite_maxSizePostResults
#endif #endif
use config, only: &
config_deallocate, &
material_configFile, &
material_localFileExt, &
config_homogenization, &
homogenization_name
use material use material
use config
use homogenization_none use homogenization_none
use homogenization_isostrain use homogenization_isostrain
use homogenization_RGC use homogenization_RGC
@ -197,7 +202,7 @@ subroutine homogenization_init
! write description file for homogenization output ! write description file for homogenization output
mainProcess2: if (worldrank == 0) then mainProcess2: if (worldrank == 0) then
call IO_write_jobFile(FILEUNIT,'outputHomogenization') call IO_write_jobFile(FILEUNIT,'outputHomogenization')
do p = 1,material_Nhomogenization do p = 1,size(config_homogenization)
if (any(material_homog == p)) then if (any(material_homog == p)) then
i = homogenization_typeInstance(p) ! which instance of this homogenization type i = homogenization_typeInstance(p) ! which instance of this homogenization type
valid = .true. ! assume valid valid = .true. ! assume valid
@ -370,6 +375,8 @@ subroutine homogenization_init
close(FILEUNIT) close(FILEUNIT)
endif mainProcess2 endif mainProcess2
call config_deallocate('material.config/homogenization')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate and initialize global variables ! allocate and initialize global variables
allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) allocate(materialpoint_dPdF(3,3,3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
@ -395,7 +402,7 @@ subroutine homogenization_init
vacancyflux_maxSizePostResults = 0_pInt vacancyflux_maxSizePostResults = 0_pInt
porosity_maxSizePostResults = 0_pInt porosity_maxSizePostResults = 0_pInt
hydrogenflux_maxSizePostResults = 0_pInt hydrogenflux_maxSizePostResults = 0_pInt
do p = 1,material_Nhomogenization do p = 1,size(config_homogenization)
homogenization_maxSizePostResults = max(homogenization_maxSizePostResults,homogState (p)%sizePostResults) homogenization_maxSizePostResults = max(homogenization_maxSizePostResults,homogState (p)%sizePostResults)
thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState (p)%sizePostResults) thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState (p)%sizePostResults)
damage_maxSizePostResults = max(damage_maxSizePostResults ,damageState (p)%sizePostResults) damage_maxSizePostResults = max(damage_maxSizePostResults ,damageState (p)%sizePostResults)

346
src/material.f90
View File

@ -1,13 +1,13 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Parses material config file, either solverJobName.materialConfig or material.config !> @brief Parses material config file, either solverJobName.materialConfig or material.config
!> @details reads the material configuration file, where solverJobName.materialConfig takes !> @details reads the material configuration file, where solverJobName.materialConfig takes
!! precedence over material.config and parses the sections 'homogenization', 'crystallite', !! precedence over material.config and parses the sections 'homogenization', 'crystallite',
!! 'phase', 'texture', and 'microstucture' !! 'phase', 'texture', and 'microstucture'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module material module material
use config
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt, & pInt, &
@ -351,6 +351,17 @@ subroutine material_init()
debug_material, & debug_material, &
debug_levelBasic, & debug_levelBasic, &
debug_levelExtensive debug_levelExtensive
use config, only: &
config_crystallite, &
config_homogenization, &
config_microstructure, &
config_phase, &
config_texture, &
homogenization_name, &
microstructure_name, &
phase_name, &
texture_name, &
config_deallocate
use mesh, only: & use mesh, only: &
mesh_maxNips, & mesh_maxNips, &
mesh_NcpElems, & mesh_NcpElems, &
@ -391,44 +402,44 @@ subroutine material_init()
call material_parseTexture() call material_parseTexture()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
allocate(plasticState (material_Nphase)) allocate(plasticState (size(config_phase)))
allocate(sourceState (material_Nphase)) allocate(sourceState (size(config_phase)))
do myPhase = 1,material_Nphase do myPhase = 1,size(config_phase)
allocate(sourceState(myPhase)%p(phase_Nsources(myPhase))) allocate(sourceState(myPhase)%p(phase_Nsources(myPhase)))
enddo enddo
allocate(homogState (material_Nhomogenization)) allocate(homogState (size(config_homogenization)))
allocate(thermalState (material_Nhomogenization)) allocate(thermalState (size(config_homogenization)))
allocate(damageState (material_Nhomogenization)) allocate(damageState (size(config_homogenization)))
allocate(vacancyfluxState (material_Nhomogenization)) allocate(vacancyfluxState (size(config_homogenization)))
allocate(porosityState (material_Nhomogenization)) allocate(porosityState (size(config_homogenization)))
allocate(hydrogenfluxState (material_Nhomogenization)) allocate(hydrogenfluxState (size(config_homogenization)))
allocate(thermalMapping (material_Nhomogenization)) allocate(thermalMapping (size(config_homogenization)))
allocate(damageMapping (material_Nhomogenization)) allocate(damageMapping (size(config_homogenization)))
allocate(vacancyfluxMapping (material_Nhomogenization)) allocate(vacancyfluxMapping (size(config_homogenization)))
allocate(porosityMapping (material_Nhomogenization)) allocate(porosityMapping (size(config_homogenization)))
allocate(hydrogenfluxMapping(material_Nhomogenization)) allocate(hydrogenfluxMapping(size(config_homogenization)))
allocate(temperature (material_Nhomogenization)) allocate(temperature (size(config_homogenization)))
allocate(damage (material_Nhomogenization)) allocate(damage (size(config_homogenization)))
allocate(vacancyConc (material_Nhomogenization)) allocate(vacancyConc (size(config_homogenization)))
allocate(porosity (material_Nhomogenization)) allocate(porosity (size(config_homogenization)))
allocate(hydrogenConc (material_Nhomogenization)) allocate(hydrogenConc (size(config_homogenization)))
allocate(temperatureRate (material_Nhomogenization)) allocate(temperatureRate (size(config_homogenization)))
allocate(vacancyConcRate (material_Nhomogenization)) allocate(vacancyConcRate (size(config_homogenization)))
allocate(hydrogenConcRate (material_Nhomogenization)) allocate(hydrogenConcRate (size(config_homogenization)))
do m = 1_pInt,material_Nmicrostructure do m = 1_pInt,size(config_microstructure)
if(microstructure_crystallite(m) < 1_pInt .or. & if(microstructure_crystallite(m) < 1_pInt .or. &
microstructure_crystallite(m) > material_Ncrystallite) & microstructure_crystallite(m) > size(config_crystallite)) &
call IO_error(150_pInt,m,ext_msg='crystallite') call IO_error(150_pInt,m,ext_msg='crystallite')
if(minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. & if(minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. &
maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > material_Nphase) & maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > size(config_phase)) &
call IO_error(150_pInt,m,ext_msg='phase') call IO_error(150_pInt,m,ext_msg='phase')
if(minval(microstructure_texture(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. & if(minval(microstructure_texture(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. &
maxval(microstructure_texture(1:microstructure_Nconstituents(m),m)) > material_Ntexture) & maxval(microstructure_texture(1:microstructure_Nconstituents(m),m)) > size(config_texture)) &
call IO_error(150_pInt,m,ext_msg='texture') call IO_error(150_pInt,m,ext_msg='texture')
if(microstructure_Nconstituents(m) < 1_pInt) & if(microstructure_Nconstituents(m) < 1_pInt) &
call IO_error(151_pInt,m) call IO_error(151_pInt,m)
@ -437,11 +448,11 @@ subroutine material_init()
debugOut: if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then debugOut: if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
write(6,'(/,a,/)') ' MATERIAL configuration' write(6,'(/,a,/)') ' MATERIAL configuration'
write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains' write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains'
do h = 1_pInt,material_Nhomogenization do h = 1_pInt,size(config_homogenization)
write(6,'(1x,a32,1x,a16,1x,i6)') homogenization_name(h),homogenization_type(h),homogenization_Ngrains(h) write(6,'(1x,a32,1x,a16,1x,i6)') homogenization_name(h),homogenization_type(h),homogenization_Ngrains(h)
enddo enddo
write(6,'(/,a14,18x,1x,a11,1x,a12,1x,a13)') 'microstructure','crystallite','constituents','homogeneous' write(6,'(/,a14,18x,1x,a11,1x,a12,1x,a13)') 'microstructure','crystallite','constituents','homogeneous'
do m = 1_pInt,material_Nmicrostructure do m = 1_pInt,size(config_microstructure)
write(6,'(1x,a32,1x,i11,1x,i12,1x,l13)') microstructure_name(m), & write(6,'(1x,a32,1x,i11,1x,i12,1x,l13)') microstructure_name(m), &
microstructure_crystallite(m), & microstructure_crystallite(m), &
microstructure_Nconstituents(m), & microstructure_Nconstituents(m), &
@ -458,6 +469,7 @@ subroutine material_init()
endif debugOut endif debugOut
call material_populateGrains call material_populateGrains
call config_deallocate('material.config/microstructure')
allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
@ -465,9 +477,9 @@ subroutine material_init()
allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt) allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt)
allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt) allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt)
allocate(ConstitutivePosition (material_Nphase), source=0_pInt) allocate(ConstitutivePosition (size(config_phase)), source=0_pInt)
allocate(HomogenizationPosition(material_Nhomogenization),source=0_pInt) allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt)
allocate(CrystallitePosition (material_Nphase), source=0_pInt) allocate(CrystallitePosition (size(config_phase)), source=0_pInt)
ElemLoop:do e = 1_pInt,mesh_NcpElems ElemLoop:do e = 1_pInt,mesh_NcpElems
myHomog = mesh_element(3,e) myHomog = mesh_element(3,e)
@ -484,7 +496,7 @@ subroutine material_init()
enddo ElemLoop enddo ElemLoop
! hack needed to initialize field values used during constitutive and crystallite initializations ! hack needed to initialize field values used during constitutive and crystallite initializations
do myHomog = 1,material_Nhomogenization do myHomog = 1,size(config_homogenization)
thermalMapping (myHomog)%p => mappingHomogenizationConst thermalMapping (myHomog)%p => mappingHomogenizationConst
damageMapping (myHomog)%p => mappingHomogenizationConst damageMapping (myHomog)%p => mappingHomogenizationConst
vacancyfluxMapping (myHomog)%p => mappingHomogenizationConst vacancyfluxMapping (myHomog)%p => mappingHomogenizationConst
@ -508,7 +520,7 @@ end subroutine material_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization subroutine material_parseHomogenization
use config, only : & use config, only : &
homogenizationConfig config_homogenization
use IO, only: & use IO, only: &
IO_error IO_error
use mesh, only: & use mesh, only: &
@ -518,54 +530,54 @@ subroutine material_parseHomogenization
integer(pInt) :: h integer(pInt) :: h
character(len=65536) :: tag character(len=65536) :: tag
allocate(homogenization_type(material_Nhomogenization), source=HOMOGENIZATION_undefined_ID) allocate(homogenization_type(size(config_homogenization)), source=HOMOGENIZATION_undefined_ID)
allocate(thermal_type(material_Nhomogenization), source=THERMAL_isothermal_ID) allocate(thermal_type(size(config_homogenization)), source=THERMAL_isothermal_ID)
allocate(damage_type (material_Nhomogenization), source=DAMAGE_none_ID) allocate(damage_type (size(config_homogenization)), source=DAMAGE_none_ID)
allocate(vacancyflux_type(material_Nhomogenization), source=VACANCYFLUX_isoconc_ID) allocate(vacancyflux_type(size(config_homogenization)), source=VACANCYFLUX_isoconc_ID)
allocate(porosity_type (material_Nhomogenization), source=POROSITY_none_ID) allocate(porosity_type (size(config_homogenization)), source=POROSITY_none_ID)
allocate(hydrogenflux_type(material_Nhomogenization), source=HYDROGENFLUX_isoconc_ID) allocate(hydrogenflux_type(size(config_homogenization)), source=HYDROGENFLUX_isoconc_ID)
allocate(homogenization_typeInstance(material_Nhomogenization), source=0_pInt) allocate(homogenization_typeInstance(size(config_homogenization)), source=0_pInt)
allocate(thermal_typeInstance(material_Nhomogenization), source=0_pInt) allocate(thermal_typeInstance(size(config_homogenization)), source=0_pInt)
allocate(damage_typeInstance(material_Nhomogenization), source=0_pInt) allocate(damage_typeInstance(size(config_homogenization)), source=0_pInt)
allocate(vacancyflux_typeInstance(material_Nhomogenization), source=0_pInt) allocate(vacancyflux_typeInstance(size(config_homogenization)), source=0_pInt)
allocate(porosity_typeInstance(material_Nhomogenization), source=0_pInt) allocate(porosity_typeInstance(size(config_homogenization)), source=0_pInt)
allocate(hydrogenflux_typeInstance(material_Nhomogenization), source=0_pInt) allocate(hydrogenflux_typeInstance(size(config_homogenization)), source=0_pInt)
allocate(homogenization_Ngrains(material_Nhomogenization), source=0_pInt) allocate(homogenization_Ngrains(size(config_homogenization)), source=0_pInt)
allocate(homogenization_Noutput(material_Nhomogenization), source=0_pInt) allocate(homogenization_Noutput(size(config_homogenization)), source=0_pInt)
allocate(homogenization_active(material_Nhomogenization), source=.false.) !!!!!!!!!!!!!!! allocate(homogenization_active(size(config_homogenization)), source=.false.) !!!!!!!!!!!!!!!
allocate(thermal_initialT(material_Nhomogenization), source=300.0_pReal) allocate(thermal_initialT(size(config_homogenization)), source=300.0_pReal)
allocate(damage_initialPhi(material_Nhomogenization), source=1.0_pReal) allocate(damage_initialPhi(size(config_homogenization)), source=1.0_pReal)
allocate(vacancyflux_initialCv(material_Nhomogenization), source=0.0_pReal) allocate(vacancyflux_initialCv(size(config_homogenization)), source=0.0_pReal)
allocate(porosity_initialPhi(material_Nhomogenization), source=1.0_pReal) allocate(porosity_initialPhi(size(config_homogenization)), source=1.0_pReal)
allocate(hydrogenflux_initialCh(material_Nhomogenization), source=0.0_pReal) allocate(hydrogenflux_initialCh(size(config_homogenization)), source=0.0_pReal)
forall (h = 1_pInt:material_Nhomogenization) homogenization_active(h) = any(mesh_element(3,:) == h) forall (h = 1_pInt:size(config_homogenization)) homogenization_active(h) = any(mesh_element(3,:) == h)
do h=1_pInt, material_Nhomogenization do h=1_pInt, size(config_homogenization)
homogenization_Noutput(h) = homogenizationConfig(h)%countKeys('(output)') homogenization_Noutput(h) = config_homogenization(h)%countKeys('(output)')
tag = homogenizationConfig(h)%getString('mech') tag = config_homogenization(h)%getString('mech')
select case (trim(tag)) select case (trim(tag))
case(HOMOGENIZATION_NONE_label) case(HOMOGENIZATION_NONE_label)
homogenization_type(h) = HOMOGENIZATION_NONE_ID homogenization_type(h) = HOMOGENIZATION_NONE_ID
homogenization_Ngrains(h) = 1_pInt homogenization_Ngrains(h) = 1_pInt
case(HOMOGENIZATION_ISOSTRAIN_label) case(HOMOGENIZATION_ISOSTRAIN_label)
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents') homogenization_Ngrains(h) = config_homogenization(h)%getInt('nconstituents')
case(HOMOGENIZATION_RGC_label) case(HOMOGENIZATION_RGC_label)
homogenization_type(h) = HOMOGENIZATION_RGC_ID homogenization_type(h) = HOMOGENIZATION_RGC_ID
homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents') homogenization_Ngrains(h) = config_homogenization(h)%getInt('nconstituents')
case default case default
call IO_error(500_pInt,ext_msg=trim(tag)) call IO_error(500_pInt,ext_msg=trim(tag))
end select end select
homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h)) homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
if (homogenizationConfig(h)%keyExists('thermal')) then if (config_homogenization(h)%keyExists('thermal')) then
thermal_initialT(h) = homogenizationConfig(h)%getFloat('t0',defaultVal=300.0_pReal) thermal_initialT(h) = config_homogenization(h)%getFloat('t0',defaultVal=300.0_pReal)
tag = homogenizationConfig(h)%getString('thermal') tag = config_homogenization(h)%getString('thermal')
select case (trim(tag)) select case (trim(tag))
case(THERMAL_isothermal_label) case(THERMAL_isothermal_label)
thermal_type(h) = THERMAL_isothermal_ID thermal_type(h) = THERMAL_isothermal_ID
@ -579,10 +591,10 @@ subroutine material_parseHomogenization
endif endif
if (homogenizationConfig(h)%keyExists('damage')) then if (config_homogenization(h)%keyExists('damage')) then
damage_initialPhi(h) = homogenizationConfig(h)%getFloat('initialdamage',defaultVal=1.0_pReal) damage_initialPhi(h) = config_homogenization(h)%getFloat('initialdamage',defaultVal=1.0_pReal)
tag = homogenizationConfig(h)%getString('damage') tag = config_homogenization(h)%getString('damage')
select case (trim(tag)) select case (trim(tag))
case(DAMAGE_NONE_label) case(DAMAGE_NONE_label)
damage_type(h) = DAMAGE_none_ID damage_type(h) = DAMAGE_none_ID
@ -596,10 +608,10 @@ subroutine material_parseHomogenization
endif endif
if (homogenizationConfig(h)%keyExists('vacancyflux')) then if (config_homogenization(h)%keyExists('vacancyflux')) then
vacancyflux_initialCv(h) = homogenizationConfig(h)%getFloat('cv0',defaultVal=0.0_pReal) vacancyflux_initialCv(h) = config_homogenization(h)%getFloat('cv0',defaultVal=0.0_pReal)
tag = homogenizationConfig(h)%getString('vacancyflux') tag = config_homogenization(h)%getString('vacancyflux')
select case (trim(tag)) select case (trim(tag))
case(VACANCYFLUX_isoconc_label) case(VACANCYFLUX_isoconc_label)
vacancyflux_type(h) = VACANCYFLUX_isoconc_ID vacancyflux_type(h) = VACANCYFLUX_isoconc_ID
@ -613,10 +625,10 @@ subroutine material_parseHomogenization
endif endif
if (homogenizationConfig(h)%keyExists('porosity')) then if (config_homogenization(h)%keyExists('porosity')) then
!ToDo? !ToDo?
tag = homogenizationConfig(h)%getString('porosity') tag = config_homogenization(h)%getString('porosity')
select case (trim(tag)) select case (trim(tag))
case(POROSITY_NONE_label) case(POROSITY_NONE_label)
porosity_type(h) = POROSITY_none_ID porosity_type(h) = POROSITY_none_ID
@ -628,10 +640,10 @@ subroutine material_parseHomogenization
endif endif
if (homogenizationConfig(h)%keyExists('hydrogenflux')) then if (config_homogenization(h)%keyExists('hydrogenflux')) then
hydrogenflux_initialCh(h) = homogenizationConfig(h)%getFloat('ch0',defaultVal=0.0_pReal) hydrogenflux_initialCh(h) = config_homogenization(h)%getFloat('ch0',defaultVal=0.0_pReal)
tag = homogenizationConfig(h)%getString('hydrogenflux') tag = config_homogenization(h)%getString('hydrogenflux')
select case (trim(tag)) select case (trim(tag))
case(HYDROGENFLUX_isoconc_label) case(HYDROGENFLUX_isoconc_label)
hydrogenflux_type(h) = HYDROGENFLUX_isoconc_ID hydrogenflux_type(h) = HYDROGENFLUX_isoconc_ID
@ -645,7 +657,7 @@ subroutine material_parseHomogenization
enddo enddo
do h=1_pInt, material_Nhomogenization do h=1_pInt, size(config_homogenization)
homogenization_typeInstance(h) = count(homogenization_type(1:h) == homogenization_type(h)) homogenization_typeInstance(h) = count(homogenization_type(1:h) == homogenization_type(h))
thermal_typeInstance(h) = count(thermal_type (1:h) == thermal_type (h)) thermal_typeInstance(h) = count(thermal_type (1:h) == thermal_type (h))
damage_typeInstance(h) = count(damage_type (1:h) == damage_type (h)) damage_typeInstance(h) = count(damage_type (1:h) == damage_type (h))
@ -671,6 +683,9 @@ subroutine material_parseMicrostructure
IO_stringValue, & IO_stringValue, &
IO_stringPos, & IO_stringPos, &
IO_error IO_error
use config, only: &
config_microstructure, &
microstructure_name
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element, &
mesh_NcpElems mesh_NcpElems
@ -683,29 +698,29 @@ subroutine material_parseMicrostructure
character(len=65536) :: & character(len=65536) :: &
tag tag
allocate(microstructure_crystallite(material_Nmicrostructure), source=0_pInt) allocate(microstructure_crystallite(size(config_microstructure)), source=0_pInt)
allocate(microstructure_Nconstituents(material_Nmicrostructure), source=0_pInt) allocate(microstructure_Nconstituents(size(config_microstructure)), source=0_pInt)
allocate(microstructure_active(material_Nmicrostructure), source=.false.) allocate(microstructure_active(size(config_microstructure)), source=.false.)
allocate(microstructure_elemhomo(material_Nmicrostructure), source=.false.) allocate(microstructure_elemhomo(size(config_microstructure)), source=.false.)
if(any(mesh_element(4,1:mesh_NcpElems) > material_Nmicrostructure)) & if(any(mesh_element(4,1:mesh_NcpElems) > size(config_microstructure))) &
call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config') call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config')
forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
do m=1_pInt, material_Nmicrostructure do m=1_pInt, size(config_microstructure)
microstructure_Nconstituents(m) = microstructureConfig(m)%countKeys('(constituent)') microstructure_Nconstituents(m) = config_microstructure(m)%countKeys('(constituent)')
microstructure_crystallite(m) = microstructureConfig(m)%getInt('crystallite') microstructure_crystallite(m) = config_microstructure(m)%getInt('crystallite')
microstructure_elemhomo(m) = microstructureConfig(m)%keyExists('/elementhomogeneous/') microstructure_elemhomo(m) = config_microstructure(m)%keyExists('/elementhomogeneous/')
enddo enddo
microstructure_maxNconstituents = maxval(microstructure_Nconstituents) microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
allocate(microstructure_phase (microstructure_maxNconstituents,material_Nmicrostructure),source=0_pInt) allocate(microstructure_phase (microstructure_maxNconstituents,size(config_microstructure)),source=0_pInt)
allocate(microstructure_texture (microstructure_maxNconstituents,material_Nmicrostructure),source=0_pInt) allocate(microstructure_texture (microstructure_maxNconstituents,size(config_microstructure)),source=0_pInt)
allocate(microstructure_fraction(microstructure_maxNconstituents,material_Nmicrostructure),source=0.0_pReal) allocate(microstructure_fraction(microstructure_maxNconstituents,size(config_microstructure)),source=0.0_pReal)
do m=1_pInt, material_Nmicrostructure do m=1_pInt, size(config_microstructure)
str = microstructureConfig(m)%getStrings('(constituent)',raw=.true.) str = config_microstructure(m)%getStrings('(constituent)',raw=.true.)
do c = 1_pInt, size(str) do c = 1_pInt, size(str)
chunkPos = IO_stringPos(str(c)) chunkPos = IO_stringPos(str(c))
@ -725,11 +740,11 @@ subroutine material_parseMicrostructure
enddo enddo
enddo enddo
do m = 1_pInt, material_Nmicrostructure do m = 1_pInt, size(config_microstructure)
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) & if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) &
call IO_error(153_pInt,ext_msg=microstructure_name(m)) call IO_error(153_pInt,ext_msg=microstructure_name(m))
enddo enddo
end subroutine material_parseMicrostructure end subroutine material_parseMicrostructure
@ -737,13 +752,15 @@ end subroutine material_parseMicrostructure
!> @brief parses the crystallite part in the material configuration file !> @brief parses the crystallite part in the material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_parseCrystallite subroutine material_parseCrystallite
use config, only: &
config_crystallite
implicit none implicit none
integer(pInt) :: c integer(pInt) :: c
allocate(crystallite_Noutput(material_Ncrystallite),source=0_pInt) allocate(crystallite_Noutput(size(config_crystallite)),source=0_pInt)
do c=1_pInt, material_Ncrystallite do c=1_pInt, size(config_crystallite)
crystallite_Noutput(c) = crystalliteConfig(c)%countKeys('(output)') crystallite_Noutput(c) = config_crystallite(c)%countKeys('(output)')
enddo enddo
end subroutine material_parseCrystallite end subroutine material_parseCrystallite
@ -757,35 +774,37 @@ subroutine material_parsePhase
IO_error, & IO_error, &
IO_getTag, & IO_getTag, &
IO_stringValue IO_stringValue
use config, only: &
config_phase
implicit none implicit none
integer(pInt) :: sourceCtr, kinematicsCtr, stiffDegradationCtr, p integer(pInt) :: sourceCtr, kinematicsCtr, stiffDegradationCtr, p
character(len=65536), dimension(:), allocatable :: str character(len=65536), dimension(:), allocatable :: str
allocate(phase_elasticity(material_Nphase),source=ELASTICITY_undefined_ID) allocate(phase_elasticity(size(config_phase)),source=ELASTICITY_undefined_ID)
allocate(phase_plasticity(material_Nphase),source=PLASTICITY_undefined_ID) allocate(phase_plasticity(size(config_phase)),source=PLASTICITY_undefined_ID)
allocate(phase_Nsources(material_Nphase), source=0_pInt) allocate(phase_Nsources(size(config_phase)), source=0_pInt)
allocate(phase_Nkinematics(material_Nphase), source=0_pInt) allocate(phase_Nkinematics(size(config_phase)), source=0_pInt)
allocate(phase_NstiffnessDegradations(material_Nphase),source=0_pInt) allocate(phase_NstiffnessDegradations(size(config_phase)),source=0_pInt)
allocate(phase_Noutput(material_Nphase), source=0_pInt) allocate(phase_Noutput(size(config_phase)), source=0_pInt)
allocate(phase_localPlasticity(material_Nphase), source=.false.) allocate(phase_localPlasticity(size(config_phase)), source=.false.)
do p=1_pInt, material_Nphase do p=1_pInt, size(config_phase)
phase_Noutput(p) = phaseConfig(p)%countKeys('(output)') phase_Noutput(p) = config_phase(p)%countKeys('(output)')
phase_Nsources(p) = phaseConfig(p)%countKeys('(source)') phase_Nsources(p) = config_phase(p)%countKeys('(source)')
phase_Nkinematics(p) = phaseConfig(p)%countKeys('(kinematics)') phase_Nkinematics(p) = config_phase(p)%countKeys('(kinematics)')
phase_NstiffnessDegradations(p) = phaseConfig(p)%countKeys('(stiffness_degradation)') phase_NstiffnessDegradations(p) = config_phase(p)%countKeys('(stiffness_degradation)')
phase_localPlasticity(p) = .not. phaseConfig(p)%KeyExists('/nonlocal/') phase_localPlasticity(p) = .not. config_phase(p)%KeyExists('/nonlocal/')
select case (phaseConfig(p)%getString('elasticity')) select case (config_phase(p)%getString('elasticity'))
case (ELASTICITY_HOOKE_label) case (ELASTICITY_HOOKE_label)
phase_elasticity(p) = ELASTICITY_HOOKE_ID phase_elasticity(p) = ELASTICITY_HOOKE_ID
case default case default
call IO_error(200_pInt,ext_msg=trim(phaseConfig(p)%getString('elasticity'))) call IO_error(200_pInt,ext_msg=trim(config_phase(p)%getString('elasticity')))
end select end select
select case (phaseConfig(p)%getString('plasticity')) select case (config_phase(p)%getString('plasticity'))
case (PLASTICITY_NONE_label) case (PLASTICITY_NONE_label)
phase_plasticity(p) = PLASTICITY_NONE_ID phase_plasticity(p) = PLASTICITY_NONE_ID
case (PLASTICITY_ISOTROPIC_label) case (PLASTICITY_ISOTROPIC_label)
@ -801,22 +820,22 @@ subroutine material_parsePhase
case (PLASTICITY_NONLOCAL_label) case (PLASTICITY_NONLOCAL_label)
phase_plasticity(p) = PLASTICITY_NONLOCAL_ID phase_plasticity(p) = PLASTICITY_NONLOCAL_ID
case default case default
call IO_error(201_pInt,ext_msg=trim(phaseConfig(p)%getString('plasticity'))) call IO_error(201_pInt,ext_msg=trim(config_phase(p)%getString('plasticity')))
end select end select
enddo enddo
allocate(phase_source(maxval(phase_Nsources),material_Nphase), source=SOURCE_undefined_ID) allocate(phase_source(maxval(phase_Nsources),size(config_phase)), source=SOURCE_undefined_ID)
allocate(phase_kinematics(maxval(phase_Nkinematics),material_Nphase), source=KINEMATICS_undefined_ID) allocate(phase_kinematics(maxval(phase_Nkinematics),size(config_phase)), source=KINEMATICS_undefined_ID)
allocate(phase_stiffnessDegradation(maxval(phase_NstiffnessDegradations),material_Nphase), & allocate(phase_stiffnessDegradation(maxval(phase_NstiffnessDegradations),size(config_phase)), &
source=STIFFNESS_DEGRADATION_undefined_ID) source=STIFFNESS_DEGRADATION_undefined_ID)
do p=1_pInt, material_Nphase do p=1_pInt, size(config_phase)
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
str = ['GfortranBug86277'] str = ['GfortranBug86277']
str = phaseConfig(p)%getStrings('(source)',defaultVal=str) str = config_phase(p)%getStrings('(source)',defaultVal=str)
if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] if (str(1) == 'GfortranBug86277') str = [character(len=65536)::]
#else #else
str = phaseConfig(p)%getStrings('(source)',defaultVal=[character(len=65536)::]) str = config_phase(p)%getStrings('(source)',defaultVal=[character(len=65536)::])
#endif #endif
do sourceCtr = 1_pInt, size(str) do sourceCtr = 1_pInt, size(str)
select case (trim(str(sourceCtr))) select case (trim(str(sourceCtr)))
@ -843,10 +862,10 @@ subroutine material_parsePhase
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
str = ['GfortranBug86277'] str = ['GfortranBug86277']
str = phaseConfig(p)%getStrings('(kinematics)',defaultVal=str) str = config_phase(p)%getStrings('(kinematics)',defaultVal=str)
if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] if (str(1) == 'GfortranBug86277') str = [character(len=65536)::]
#else #else
str = phaseConfig(p)%getStrings('(kinematics)',defaultVal=[character(len=65536)::]) str = config_phase(p)%getStrings('(kinematics)',defaultVal=[character(len=65536)::])
#endif #endif
do kinematicsCtr = 1_pInt, size(str) do kinematicsCtr = 1_pInt, size(str)
select case (trim(str(kinematicsCtr))) select case (trim(str(kinematicsCtr)))
@ -864,10 +883,10 @@ subroutine material_parsePhase
enddo enddo
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
str = ['GfortranBug86277'] str = ['GfortranBug86277']
str = phaseConfig(p)%getStrings('(stiffness_degradation)',defaultVal=str) str = config_phase(p)%getStrings('(stiffness_degradation)',defaultVal=str)
if (str(1) == 'GfortranBug86277') str = [character(len=65536)::] if (str(1) == 'GfortranBug86277') str = [character(len=65536)::]
#else #else
str = phaseConfig(p)%getStrings('(stiffness_degradation)',defaultVal=[character(len=65536)::]) str = config_phase(p)%getStrings('(stiffness_degradation)',defaultVal=[character(len=65536)::])
#endif #endif
do stiffDegradationCtr = 1_pInt, size(str) do stiffDegradationCtr = 1_pInt, size(str)
select case (trim(str(stiffDegradationCtr))) select case (trim(str(stiffDegradationCtr)))
@ -879,10 +898,10 @@ subroutine material_parsePhase
enddo enddo
enddo enddo
allocate(phase_plasticityInstance(material_Nphase), source=0_pInt) allocate(phase_plasticityInstance(size(config_phase)), source=0_pInt)
allocate(phase_elasticityInstance(material_Nphase), source=0_pInt) allocate(phase_elasticityInstance(size(config_phase)), source=0_pInt)
do p=1_pInt, material_Nphase do p=1_pInt, size(config_phase)
phase_elasticityInstance(p) = count(phase_elasticity(1:p) == phase_elasticity(p)) phase_elasticityInstance(p) = count(phase_elasticity(1:p) == phase_elasticity(p))
phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p)) phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p))
enddo enddo
@ -900,6 +919,9 @@ subroutine material_parseTexture
IO_stringPos, & IO_stringPos, &
IO_floatValue, & IO_floatValue, &
IO_stringValue IO_stringValue
use config, only: &
config_texture, &
config_deallocate
use math, only: & use math, only: &
inRad, & inRad, &
math_sampleRandomOri, & math_sampleRandomOri, &
@ -912,31 +934,31 @@ subroutine material_parseTexture
integer(pInt), dimension(:), allocatable :: chunkPos integer(pInt), dimension(:), allocatable :: chunkPos
character(len=65536) :: tag character(len=65536) :: tag
allocate(texture_ODFfile(material_Ntexture)); texture_ODFfile='' allocate(texture_ODFfile(size(config_texture))); texture_ODFfile=''
allocate(texture_symmetry(material_Ntexture), source=1_pInt) allocate(texture_symmetry(size(config_texture)), source=1_pInt)
allocate(texture_Ngauss(material_Ntexture), source=0_pInt) allocate(texture_Ngauss(size(config_texture)), source=0_pInt)
allocate(texture_Nfiber(material_Ntexture), source=0_pInt) allocate(texture_Nfiber(size(config_texture)), source=0_pInt)
do t=1_pInt, material_Ntexture do t=1_pInt, size(config_texture)
texture_Ngauss(t) = textureConfig(t)%countKeys('(gauss)') & texture_Ngauss(t) = config_texture(t)%countKeys('(gauss)') &
+ textureConfig(t)%countKeys('(random)') + config_texture(t)%countKeys('(random)')
texture_Nfiber(t) = textureConfig(t)%countKeys('(fiber)') texture_Nfiber(t) = config_texture(t)%countKeys('(fiber)')
enddo enddo
texture_maxNgauss = maxval(texture_Ngauss) texture_maxNgauss = maxval(texture_Ngauss)
texture_maxNfiber = maxval(texture_Nfiber) texture_maxNfiber = maxval(texture_Nfiber)
allocate(texture_Gauss (5,texture_maxNgauss,material_Ntexture), source=0.0_pReal) allocate(texture_Gauss (5,texture_maxNgauss,size(config_texture)), source=0.0_pReal)
allocate(texture_Fiber (6,texture_maxNfiber,material_Ntexture), source=0.0_pReal) allocate(texture_Fiber (6,texture_maxNfiber,size(config_texture)), source=0.0_pReal)
allocate(texture_transformation(3,3,material_Ntexture), source=0.0_pReal) allocate(texture_transformation(3,3,size(config_texture)), source=0.0_pReal)
texture_transformation = spread(math_I3,3,material_Ntexture) texture_transformation = spread(math_I3,3,size(config_texture))
do t=1_pInt, material_Ntexture do t=1_pInt, size(config_texture)
section = t section = t
gauss = 0_pInt gauss = 0_pInt
fiber = 0_pInt fiber = 0_pInt
if (textureConfig(t)%keyExists('axes')) then if (config_texture(t)%keyExists('axes')) then
strings = textureConfig(t)%getStrings('axes') strings = config_texture(t)%getStrings('axes')
do j = 1_pInt, 3_pInt ! look for "x", "y", and "z" entries do j = 1_pInt, 3_pInt ! look for "x", "y", and "z" entries
select case (strings(j)) select case (strings(j))
case('x', '+x') case('x', '+x')
@ -959,10 +981,10 @@ subroutine material_parseTexture
endif endif
tag='' tag=''
texture_ODFfile(t) = textureConfig(t)%getString('hybridia',defaultVal=tag) texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag)
if (textureConfig(t)%keyExists('symmetry')) then if (config_texture(t)%keyExists('symmetry')) then
select case (textureConfig(t)%getString('symmetry')) select case (config_texture(t)%getString('symmetry'))
case('orthotropic') case('orthotropic')
texture_symmetry(t) = 4_pInt texture_symmetry(t) = 4_pInt
case('monoclinic') case('monoclinic')
@ -972,8 +994,8 @@ subroutine material_parseTexture
end select end select
endif endif
if (textureConfig(t)%keyExists('(random)')) then if (config_texture(t)%keyExists('(random)')) then
strings = textureConfig(t)%getStrings('(random)',raw=.true.) strings = config_texture(t)%getStrings('(random)',raw=.true.)
do i = 1_pInt, size(strings) do i = 1_pInt, size(strings)
gauss = gauss + 1_pInt gauss = gauss + 1_pInt
texture_Gauss(1:3,gauss,t) = math_sampleRandomOri() texture_Gauss(1:3,gauss,t) = math_sampleRandomOri()
@ -990,9 +1012,9 @@ subroutine material_parseTexture
endif endif
if (textureConfig(t)%keyExists('(gauss)')) then if (config_texture(t)%keyExists('(gauss)')) then
gauss = gauss + 1_pInt gauss = gauss + 1_pInt
strings = textureConfig(t)%getStrings('(gauss)',raw= .true.) strings = config_texture(t)%getStrings('(gauss)',raw= .true.)
do i = 1_pInt , size(strings) do i = 1_pInt , size(strings)
chunkPos = IO_stringPos(strings(i)) chunkPos = IO_stringPos(strings(i))
do j = 1_pInt,9_pInt,2_pInt do j = 1_pInt,9_pInt,2_pInt
@ -1013,9 +1035,9 @@ subroutine material_parseTexture
endif endif
if (textureConfig(t)%keyExists('(fiber)')) then if (config_texture(t)%keyExists('(fiber)')) then
gauss = gauss + 1_pInt fiber = fiber + 1_pInt
strings = textureConfig(t)%getStrings('(fiber)',raw= .true.) strings = config_texture(t)%getStrings('(fiber)',raw= .true.)
do i = 1_pInt, size(strings) do i = 1_pInt, size(strings)
chunkPos = IO_stringPos(strings(i)) chunkPos = IO_stringPos(strings(i))
do j = 1_pInt,11_pInt,2_pInt do j = 1_pInt,11_pInt,2_pInt
@ -1037,7 +1059,8 @@ subroutine material_parseTexture
enddo enddo
endif endif
enddo enddo
call config_deallocate('material.config/texture')
end subroutine material_parseTexture end subroutine material_parseTexture
@ -1066,6 +1089,11 @@ subroutine material_populateGrains
mesh_ipVolume, & mesh_ipVolume, &
FE_Nips, & FE_Nips, &
FE_geomtype FE_geomtype
use config, only: &
config_homogenization, &
config_microstructure, &
homogenization_name, &
microstructure_name
use IO, only: & use IO, only: &
IO_error, & IO_error, &
IO_hybridIA IO_hybridIA
@ -1102,8 +1130,8 @@ subroutine material_populateGrains
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal) allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure), source=0_pInt) allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
allocate(Nelems(material_Nhomogenization,material_Nmicrostructure), source=0_pInt) allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
! populating homogenization schemes in each ! populating homogenization schemes in each
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1118,9 +1146,9 @@ subroutine material_populateGrains
micro = mesh_element(4,e) micro = mesh_element(4,e)
Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt Nelems(homog,micro) = Nelems(homog,micro) + 1_pInt
enddo enddo
allocate(elemsOfHomogMicro(material_Nhomogenization,material_Nmicrostructure)) allocate(elemsOfHomogMicro(size(config_homogenization),size(config_microstructure)))
do homog = 1,material_Nhomogenization do homog = 1,size(config_homogenization)
do micro = 1,material_Nmicrostructure do micro = 1,size(config_microstructure)
if (Nelems(homog,micro) > 0_pInt) then if (Nelems(homog,micro) > 0_pInt) then
allocate(elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro))) allocate(elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)))
elemsOfHomogMicro(homog,micro)%p = 0_pInt elemsOfHomogMicro(homog,micro)%p = 0_pInt
@ -1135,9 +1163,9 @@ subroutine material_populateGrains
t = FE_geomtype(mesh_element(2,e)) t = FE_geomtype(mesh_element(2,e))
homog = mesh_element(3,e) homog = mesh_element(3,e)
micro = mesh_element(4,e) micro = mesh_element(4,e)
if (homog < 1_pInt .or. homog > material_Nhomogenization) & ! out of bounds if (homog < 1_pInt .or. homog > size(config_homogenization)) & ! out of bounds
call IO_error(154_pInt,e,0_pInt,0_pInt) call IO_error(154_pInt,e,0_pInt,0_pInt)
if (micro < 1_pInt .or. micro > material_Nmicrostructure) & ! out of bounds if (micro < 1_pInt .or. micro > size(config_microstructure)) & ! out of bounds
call IO_error(155_pInt,e,0_pInt,0_pInt) call IO_error(155_pInt,e,0_pInt,0_pInt)
if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element? if (microstructure_elemhomo(micro)) then ! how many grains are needed at this element?
dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies) dGrains = homogenization_Ngrains(homog) ! only one set of Ngrains (other IPs are plain copies)
@ -1158,9 +1186,9 @@ subroutine material_populateGrains
write(6,'(/,a/)') ' MATERIAL grain population' write(6,'(/,a/)') ' MATERIAL grain population'
write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#' write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
endif endif
homogenizationLoop: do homog = 1_pInt,material_Nhomogenization homogenizationLoop: do homog = 1_pInt,size(config_homogenization)
dGrains = homogenization_Ngrains(homog) ! grain number per material point dGrains = homogenization_Ngrains(homog) ! grain number per material point
microstructureLoop: do micro = 1_pInt,material_Nmicrostructure ! all pairs of homog and micro microstructureLoop: do micro = 1_pInt,size(config_microstructure) ! all pairs of homog and micro
activePair: if (Ngrains(homog,micro) > 0_pInt) then activePair: if (Ngrains(homog,micro) > 0_pInt) then
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents

36
src/plastic_isotropic.f90
View File

@ -100,7 +100,7 @@ use IO
plasticState plasticState
use config, only: & use config, only: &
MATERIAL_partPhase, & MATERIAL_partPhase, &
phaseConfig config_phase
use lattice use lattice
@ -145,29 +145,29 @@ use IO
if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase)
prm => param(instance) ! shorthand pointer to parameter object of my constitutive law prm => param(instance) ! shorthand pointer to parameter object of my constitutive law
prm%tau0 = phaseConfig(phase)%getFloat('tau0') prm%tau0 = config_phase(phase)%getFloat('tau0')
prm%tausat = phaseConfig(phase)%getFloat('tausat') prm%tausat = config_phase(phase)%getFloat('tausat')
prm%gdot0 = phaseConfig(phase)%getFloat('gdot0') prm%gdot0 = config_phase(phase)%getFloat('gdot0')
prm%n = phaseConfig(phase)%getFloat('n') prm%n = config_phase(phase)%getFloat('n')
prm%h0 = phaseConfig(phase)%getFloat('h0') prm%h0 = config_phase(phase)%getFloat('h0')
prm%fTaylor = phaseConfig(phase)%getFloat('m') prm%fTaylor = config_phase(phase)%getFloat('m')
prm%h0_slopeLnRate = phaseConfig(phase)%getFloat('h0_slopelnrate', defaultVal=0.0_pReal) prm%h0_slopeLnRate = config_phase(phase)%getFloat('h0_slopelnrate', defaultVal=0.0_pReal)
prm%tausat_SinhFitA = phaseConfig(phase)%getFloat('tausat_sinhfita',defaultVal=0.0_pReal) prm%tausat_SinhFitA = config_phase(phase)%getFloat('tausat_sinhfita',defaultVal=0.0_pReal)
prm%tausat_SinhFitB = phaseConfig(phase)%getFloat('tausat_sinhfitb',defaultVal=0.0_pReal) prm%tausat_SinhFitB = config_phase(phase)%getFloat('tausat_sinhfitb',defaultVal=0.0_pReal)
prm%tausat_SinhFitC = phaseConfig(phase)%getFloat('tausat_sinhfitc',defaultVal=0.0_pReal) prm%tausat_SinhFitC = config_phase(phase)%getFloat('tausat_sinhfitc',defaultVal=0.0_pReal)
prm%tausat_SinhFitD = phaseConfig(phase)%getFloat('tausat_sinhfitd',defaultVal=0.0_pReal) prm%tausat_SinhFitD = config_phase(phase)%getFloat('tausat_sinhfitd',defaultVal=0.0_pReal)
prm%a = phaseConfig(phase)%getFloat('a') prm%a = config_phase(phase)%getFloat('a')
prm%aTolFlowStress = phaseConfig(phase)%getFloat('atol_flowstress',defaultVal=1.0_pReal) prm%aTolFlowStress = config_phase(phase)%getFloat('atol_flowstress',defaultVal=1.0_pReal)
prm%aTolShear = phaseConfig(phase)%getFloat('atol_shear',defaultVal=1.0e-6_pReal) prm%aTolShear = config_phase(phase)%getFloat('atol_shear',defaultVal=1.0e-6_pReal)
prm%dilatation = phaseConfig(phase)%keyExists('/dilatation/') prm%dilatation = config_phase(phase)%keyExists('/dilatation/')
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
outputs = ['GfortranBug86277'] outputs = ['GfortranBug86277']
outputs = phaseConfig(phase)%getStrings('(output)',defaultVal=outputs) outputs = config_phase(phase)%getStrings('(output)',defaultVal=outputs)
if (outputs(1) == 'GfortranBug86277') outputs = [character(len=65536)::] if (outputs(1) == 'GfortranBug86277') outputs = [character(len=65536)::]
#else #else
outputs = phaseConfig(phase)%getStrings('(output)',defaultVal=[character(len=65536)::]) outputs = config_phase(phase)%getStrings('(output)',defaultVal=[character(len=65536)::])
#endif #endif
allocate(prm%outputID(0)) allocate(prm%outputID(0))
do i=1_pInt, size(outputs) do i=1_pInt, size(outputs)