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Merge branch 'sanity-check-rho' into 'development' 

thermal sanity checks

See merge request damask/DAMASK!813
This commit is contained in:
Franz Roters 2023-09-04 17:39:11 +00:00
parent 30464c2d9b 288aa73047
commit 69239661cf
2 changed files with 14 additions and 2 deletions
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2
src/phase.f90
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@ -427,12 +427,12 @@ subroutine phase_init
phase => phases%get_dict(ph) phase => phases%get_dict(ph)
refs = config_listReferences(phase,indent=3) refs = config_listReferences(phase,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs if (len(refs) > 0) print'(/,1x,a)', refs
phase_rho(ph) = phase%get_asReal('rho',defaultVal=0.0_pREAL)
phase_lattice(ph) = phase%get_asStr('lattice') phase_lattice(ph) = phase%get_asStr('lattice')
if (all(phase_lattice(ph) /= ['cF','cI','hP','tI'])) & if (all(phase_lattice(ph) /= ['cF','cI','hP','tI'])) &
call IO_error(130,ext_msg='phase_init: '//phase%get_asStr('lattice')) call IO_error(130,ext_msg='phase_init: '//phase%get_asStr('lattice'))
if (any(phase_lattice(ph) == ['hP','tI'])) & if (any(phase_lattice(ph) == ['hP','tI'])) &
phase_cOverA(ph) = phase%get_asReal('c/a') phase_cOverA(ph) = phase%get_asReal('c/a')
phase_rho(ph) = phase%get_asReal('rho',defaultVal=0.0_pREAL)
allocate(phase_O_0(ph)%data(count(material_ID_phase==ph))) allocate(phase_O_0(ph)%data(count(material_ID_phase==ph)))
end do end do

14
src/phase_thermal.f90
View File

@ -76,7 +76,9 @@ module subroutine thermal_init(phases)
thermal thermal
type(tList), pointer :: & type(tList), pointer :: &
sources sources
character(len=:), allocatable :: refs character(len=:), allocatable :: &
refs, &
extmsg
integer :: & integer :: &
ph, so, & ph, so, &
Nmembers Nmembers
@ -88,6 +90,7 @@ module subroutine thermal_init(phases)
allocate(thermalState(phases%length)) allocate(thermalState(phases%length))
allocate(thermal_Nsources(phases%length),source = 0) allocate(thermal_Nsources(phases%length),source = 0)
allocate(param(phases%length)) allocate(param(phases%length))
extmsg = ''
do ph = 1, phases%length do ph = 1, phases%length
Nmembers = count(material_ID_phase == ph) Nmembers = count(material_ID_phase == ph)
@ -106,6 +109,15 @@ module subroutine thermal_init(phases)
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asReal('K_33') if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asReal('K_33')
param(ph)%K = crystal_symmetrize_33(param(ph)%K,phase_lattice(ph)) param(ph)%K = crystal_symmetrize_33(param(ph)%K,phase_lattice(ph))
! sanity checks
if ( param(ph)%C_p <= 0.0_pREAL ) extmsg = trim(extmsg)//' C_p'
if (any(param(ph)%K < 0.0_pREAL)) extmsg = trim(extmsg)//' K'
if ( phase_rho(ph) <= 0.0_pREAL ) extmsg = trim(extmsg)//' rho'
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg))
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
param(ph)%output = output_as1dStr(thermal) param(ph)%output = output_as1dStr(thermal)
#else #else