Merge branch 'development' into 36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading
This commit is contained in:
commit
26b08bc21b
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@ -418,6 +418,9 @@ createTar:
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script:
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script:
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- cd $(mktemp -d)
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- cd $(mktemp -d)
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- $DAMASKROOT/PRIVATE/releasing/deployMe.sh $CI_COMMIT_SHA
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- $DAMASKROOT/PRIVATE/releasing/deployMe.sh $CI_COMMIT_SHA
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except:
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- master
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- release
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###################################################################################################
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###################################################################################################
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AbaqusStd:
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AbaqusStd:
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||||||
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2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 3d5f71743d97eadb4b7ec3d110fe86bf1d6d83d6
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Subproject commit 737427a967e098e1cc82f69f5447fd1a02ffa855
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@ -494,7 +494,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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subStepMinCryst, &
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subStepMinCryst, &
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subStepSizeCryst, &
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subStepSizeCryst, &
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stepIncreaseCryst, &
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stepIncreaseCryst, &
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nCryst, &
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numerics_integrator, &
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numerics_integrator, &
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numerics_integrationMode, &
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numerics_integrationMode, &
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numerics_timeSyncing
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numerics_timeSyncing
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@ -1215,8 +1214,6 @@ end subroutine crystallite_stressAndItsTangent
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subroutine crystallite_integrateStateRK4()
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subroutine crystallite_integrateStateRK4()
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use, intrinsic :: &
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use, intrinsic :: &
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IEEE_arithmetic
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IEEE_arithmetic
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use numerics, only: &
|
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numerics_integrationMode
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use debug, only: &
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use debug, only: &
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#ifdef DEBUG
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#ifdef DEBUG
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debug_e, &
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debug_e, &
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@ -1517,8 +1514,7 @@ subroutine crystallite_integrateStateRKCK45()
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debug_levelExtensive, &
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debug_levelExtensive, &
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debug_levelSelective
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debug_levelSelective
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use numerics, only: &
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use numerics, only: &
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rTol_crystalliteState, &
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rTol_crystalliteState
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numerics_integrationMode
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use FEsolving, only: &
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use FEsolving, only: &
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FEsolving_execElem, &
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FEsolving_execElem, &
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FEsolving_execIP
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FEsolving_execIP
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@ -2581,7 +2577,6 @@ subroutine crystallite_integrateStateFPI()
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debug_levelSelective
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debug_levelSelective
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use numerics, only: &
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use numerics, only: &
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nState, &
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nState, &
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numerics_integrationMode, &
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rTol_crystalliteState
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rTol_crystalliteState
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use FEsolving, only: &
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use FEsolving, only: &
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FEsolving_execElem, &
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FEsolving_execElem, &
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@ -3156,7 +3151,6 @@ logical function crystallite_integrateStress(&
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aTol_crystalliteStress, &
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aTol_crystalliteStress, &
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rTol_crystalliteStress, &
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rTol_crystalliteStress, &
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iJacoLpresiduum, &
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iJacoLpresiduum, &
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numerics_integrationMode, &
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|
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subStepSizeLp, &
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subStepSizeLp, &
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||||||
subStepSizeLi
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subStepSizeLi
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use debug, only: debug_level, &
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use debug, only: debug_level, &
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||||||
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|
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@ -494,7 +494,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
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subStepMinHomog, &
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subStepMinHomog, &
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subStepSizeHomog, &
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subStepSizeHomog, &
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stepIncreaseHomog, &
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stepIncreaseHomog, &
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nHomog, &
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nMPstate
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nMPstate
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use math, only: &
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use math, only: &
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math_transpose33
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math_transpose33
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||||||
|
|
524
src/lattice.f90
524
src/lattice.f90
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@ -16,7 +16,7 @@ module lattice
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||||||
integer(pInt), parameter, public :: &
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integer(pInt), parameter, public :: &
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||||||
LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
|
LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
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||||||
LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
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LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
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||||||
LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures
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LATTICE_maxNtransFamily = 1_pInt, & !< max # of transformation system families over lattice structures
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LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
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LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
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||||||
|
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||||||
integer(pInt), allocatable, dimension(:,:), protected, public :: &
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integer(pInt), allocatable, dimension(:,:), protected, public :: &
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||||||
|
@ -82,17 +82,17 @@ module lattice
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LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
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LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
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||||||
|
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||||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
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integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||||
LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< # of transformation systems per family for fcc
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LATTICE_fcc_NtransSystem = int([12],pInt) !< # of transformation systems per family for fcc
|
||||||
|
|
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integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
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integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
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||||||
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc
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LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc
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||||||
|
|
||||||
integer(pInt), parameter, private :: &
|
integer(pInt), parameter, private :: &
|
||||||
LATTICE_fcc_Nslip = 12_pInt, & !sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
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LATTICE_fcc_Nslip = sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
|
||||||
LATTICE_fcc_Ntwin = 12_pInt, & !sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc
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LATTICE_fcc_Ntwin = sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc
|
||||||
LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
|
LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
|
||||||
LATTICE_fcc_Ntrans = 12_pInt, & !sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc
|
LATTICE_fcc_Ntrans = sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc
|
||||||
LATTICE_fcc_Ncleavage = 7_pInt !sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc
|
LATTICE_fcc_Ncleavage = sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc
|
||||||
|
|
||||||
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
|
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
|
||||||
LATTICE_fcc_systemSlip = reshape(real([&
|
LATTICE_fcc_systemSlip = reshape(real([&
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||||||
|
@ -365,17 +365,17 @@ module lattice
|
||||||
LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
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LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
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integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||||
LATTICE_bcc_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bcc
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LATTICE_bcc_NtransSystem = int([0],pInt) !< # of transformation systems per family for bcc
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
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integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||||
LATTICE_bcc_NcleavageSystem = int([3,6,0],pInt) !< # of cleavage systems per family for bcc
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LATTICE_bcc_NcleavageSystem = int([3, 6, 0],pInt) !< # of cleavage systems per family for bcc
|
||||||
|
|
||||||
integer(pInt), parameter, private :: &
|
integer(pInt), parameter, private :: &
|
||||||
LATTICE_bcc_Nslip = 24_pInt, & !sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
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LATTICE_bcc_Nslip = sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
|
||||||
LATTICE_bcc_Ntwin = 12_pInt, & !sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc
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LATTICE_bcc_Ntwin = sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc
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||||||
LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
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LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
|
||||||
LATTICE_bcc_Ntrans = 0_pInt, & !sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
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LATTICE_bcc_Ntrans = sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
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||||||
LATTICE_bcc_Ncleavage = 9_pInt !sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
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LATTICE_bcc_Ncleavage = sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
|
||||||
|
|
||||||
real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
|
real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
|
||||||
LATTICE_bcc_systemSlip = reshape(real([&
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LATTICE_bcc_systemSlip = reshape(real([&
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|
@ -556,23 +556,23 @@ module lattice
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! hexagonal
|
! hexagonal
|
||||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||||
lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for hex
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lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for hex
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||||
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
|
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||||
LATTICE_hex_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for hex
|
LATTICE_hex_NtransSystem = int([0],pInt) !< # of transformation systems per family for hex
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||||
LATTICE_hex_NcleavageSystem = int([3,0,0],pInt) !< # of cleavage systems per family for hex
|
LATTICE_hex_NcleavageSystem = int([3, 0, 0],pInt) !< # of cleavage systems per family for hex
|
||||||
|
|
||||||
integer(pInt), parameter, private :: &
|
integer(pInt), parameter, private :: &
|
||||||
LATTICE_hex_Nslip = 33_pInt, & !sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex
|
LATTICE_hex_Nslip = sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex
|
||||||
LATTICE_hex_Ntwin = 24_pInt, & !sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex
|
LATTICE_hex_Ntwin = sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex
|
||||||
LATTICE_hex_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex
|
LATTICE_hex_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex
|
||||||
LATTICE_hex_Ntrans = 0_pInt, & !sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex
|
LATTICE_hex_Ntrans = sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex
|
||||||
LATTICE_hex_Ncleavage = 3_pInt !sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex
|
LATTICE_hex_Ncleavage = sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex
|
||||||
|
|
||||||
real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
|
real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
|
||||||
LATTICE_hex_systemSlip = reshape(real([&
|
LATTICE_hex_systemSlip = reshape(real([&
|
||||||
|
@ -844,17 +844,17 @@ module lattice
|
||||||
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct
|
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||||
LATTICE_bct_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bct
|
LATTICE_bct_NtransSystem = int([0],pInt) !< # of transformation systems per family for bct
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||||
LATTICE_bct_NcleavageSystem = int([0,0,0],pInt) !< # of cleavage systems per family for bct
|
LATTICE_bct_NcleavageSystem = int([0, 0, 0],pInt) !< # of cleavage systems per family for bct
|
||||||
|
|
||||||
integer(pInt), parameter, private :: &
|
integer(pInt), parameter, private :: &
|
||||||
LATTICE_bct_Nslip = 52_pInt, & !sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct
|
LATTICE_bct_Nslip = sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct
|
||||||
LATTICE_bct_Ntwin = 0_pInt, & !sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct
|
LATTICE_bct_Ntwin = sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct
|
||||||
LATTICE_bct_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct
|
LATTICE_bct_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct
|
||||||
LATTICE_bct_Ntrans = 0_pInt, & !sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct
|
LATTICE_bct_Ntrans = sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct
|
||||||
LATTICE_bct_Ncleavage = 0_pInt !sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct
|
LATTICE_bct_Ncleavage = sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct
|
||||||
|
|
||||||
real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: &
|
real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: &
|
||||||
LATTICE_bct_systemSlip = reshape(real([&
|
LATTICE_bct_systemSlip = reshape(real([&
|
||||||
|
@ -1004,17 +1004,17 @@ module lattice
|
||||||
LATTICE_iso_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for iso
|
LATTICE_iso_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for iso
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||||
LATTICE_iso_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for iso
|
LATTICE_iso_NtransSystem = int([0],pInt) !< # of transformation systems per family for iso
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||||
LATTICE_iso_NcleavageSystem = int([3,0,0],pInt) !< # of cleavage systems per family for iso
|
LATTICE_iso_NcleavageSystem = int([3, 0, 0],pInt) !< # of cleavage systems per family for iso
|
||||||
|
|
||||||
integer(pInt), parameter, private :: &
|
integer(pInt), parameter, private :: &
|
||||||
LATTICE_iso_Nslip = 0_pInt, & !sum(lattice_iso_NslipSystem), & !< total # of slip systems for iso
|
LATTICE_iso_Nslip = sum(lattice_iso_NslipSystem), & !< total # of slip systems for iso
|
||||||
LATTICE_iso_Ntwin = 0_pInt, & !sum(lattice_iso_NtwinSystem), & !< total # of twin systems for iso
|
LATTICE_iso_Ntwin = sum(lattice_iso_NtwinSystem), & !< total # of twin systems for iso
|
||||||
LATTICE_iso_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for iso
|
LATTICE_iso_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for iso
|
||||||
LATTICE_iso_Ntrans = 0_pInt, & !sum(lattice_iso_NtransSystem), & !< total # of transformation systems for iso
|
LATTICE_iso_Ntrans = sum(lattice_iso_NtransSystem), & !< total # of transformation systems for iso
|
||||||
LATTICE_iso_Ncleavage = 3_pInt !sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
|
LATTICE_iso_Ncleavage = sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
|
||||||
|
|
||||||
real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
|
real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
|
||||||
LATTICE_iso_systemCleavage = reshape(real([&
|
LATTICE_iso_systemCleavage = reshape(real([&
|
||||||
|
@ -1033,17 +1033,17 @@ module lattice
|
||||||
LATTICE_ortho_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for ortho
|
LATTICE_ortho_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for ortho
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||||
LATTICE_ortho_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for ortho
|
LATTICE_ortho_NtransSystem = int([0],pInt) !< # of transformation systems per family for ortho
|
||||||
|
|
||||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||||
LATTICE_ortho_NcleavageSystem = int([1,1,1],pInt) !< # of cleavage systems per family for ortho
|
LATTICE_ortho_NcleavageSystem = int([1, 1, 1],pInt) !< # of cleavage systems per family for ortho
|
||||||
|
|
||||||
integer(pInt), parameter, private :: &
|
integer(pInt), parameter, private :: &
|
||||||
LATTICE_ortho_Nslip = 0_pInt, & !sum(lattice_ortho_NslipSystem), & !< total # of slip systems for ortho
|
LATTICE_ortho_Nslip = sum(lattice_ortho_NslipSystem), & !< total # of slip systems for ortho
|
||||||
LATTICE_ortho_Ntwin = 0_pInt, & !sum(lattice_ortho_NtwinSystem), & !< total # of twin systems for ortho
|
LATTICE_ortho_Ntwin = sum(lattice_ortho_NtwinSystem), & !< total # of twin systems for ortho
|
||||||
LATTICE_ortho_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for ortho
|
LATTICE_ortho_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for ortho
|
||||||
LATTICE_ortho_Ntrans = 0_pInt, & !sum(lattice_ortho_NtransSystem), & !< total # of transformation systems for ortho
|
LATTICE_ortho_Ntrans = sum(lattice_ortho_NtransSystem), & !< total # of transformation systems for ortho
|
||||||
LATTICE_ortho_Ncleavage = 3_pInt !sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
|
LATTICE_ortho_Ncleavage = sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
|
||||||
|
|
||||||
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: &
|
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: &
|
||||||
LATTICE_ortho_systemCleavage = reshape(real([&
|
LATTICE_ortho_systemCleavage = reshape(real([&
|
||||||
|
@ -1054,25 +1054,44 @@ module lattice
|
||||||
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage])
|
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage])
|
||||||
|
|
||||||
integer(pInt), parameter, public :: &
|
integer(pInt), parameter, public :: &
|
||||||
LATTICE_maxNslip = 52_pInt, &
|
LATTICE_maxNslip = max(LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip, &
|
||||||
!LATTICE_maxNslip = maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,\
|
LATTICE_bct_Nslip,LATTICE_iso_Nslip,LATTICE_ortho_Nslip), & !< max # of slip systems over lattice structures
|
||||||
! LATTICE_bct_Nslip,LATTICE_iso_Nslip,LATTICE_ortho_Nslip]), & !< max # of slip systems over lattice structures
|
LATTICE_maxNtwin = max(LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin, &
|
||||||
LATTICE_maxNtwin = 24_pInt, &
|
LATTICE_bct_Ntwin,LATTICE_iso_Ntwin,LATTICE_ortho_Ntwin), & !< max # of twin systems over lattice structures
|
||||||
!LATTICE_maxNtwin = maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin,\
|
LATTICE_maxNnonSchmid = max(LATTICE_fcc_NnonSchmid,LATTICE_bcc_NnonSchmid, &
|
||||||
! LATTICE_bct_Ntwin,LATTICE_iso_Ntwin,LATTICE_ortho_Ntwin]), & !< max # of twin systems over lattice structures
|
LATTICE_hex_NnonSchmid,LATTICE_bct_NnonSchmid, &
|
||||||
LATTICE_maxNnonSchmid = 6_pInt, &
|
LATTICE_iso_NnonSchmid,LATTICE_ortho_NnonSchmid), & !< max # of non-Schmid contributions over lattice structures
|
||||||
!LATTICE_maxNtwin = maxval([LATTICE_fcc_NnonSchmid,LATTICE_bcc_NnonSchmid,\
|
LATTICE_maxNtrans = max(LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans, &
|
||||||
! LATTICE_hex_NnonSchmid,LATTICE_bct_NnonSchmid,\
|
LATTICE_bct_Ntrans,LATTICE_iso_Ntrans,LATTICE_ortho_Ntrans), & !< max # of transformation systems over lattice structures
|
||||||
! LATTICE_iso_NnonSchmid,LATTICE_ortho_NnonSchmid]), & !< max # of non-Schmid contributions over lattice structures
|
LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
|
||||||
LATTICE_maxNtrans = 12_pInt, &
|
LATTICE_hex_Ncleavage,LATTICE_bct_Ncleavage, &
|
||||||
!LATTICE_maxNtrans = maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans,\
|
LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage), & !< max # of cleavage systems over lattice structures
|
||||||
! LATTICE_bct_Ntrans,LATTICE_iso_Ntrans,LATTICE_ortho_Ntrans]),&!< max # of transformation systems over lattice structures
|
#if defined(__GFORTRAN__)
|
||||||
LATTICE_maxNcleavage = 9_pInt, &
|
! only supported in gcc 8
|
||||||
!LATTICE_maxNcleavage = maxval([LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage,\
|
LATTICE_maxNinteraction = 182_pInt
|
||||||
! LATTICE_hex_Ncleavage,LATTICE_bct_Ncleavage,\
|
#else
|
||||||
! LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage]) !< max # of cleavage systems over lattice structures
|
LATTICE_maxNinteraction = max(&
|
||||||
LATTICE_maxNinteraction = 182_pInt !< max # of interaction types (in hardening matrix part)
|
maxval(lattice_fcc_interactionSlipSlip), &
|
||||||
|
maxval(lattice_bcc_interactionSlipSlip), &
|
||||||
|
maxval(lattice_hex_interactionSlipSlip), &
|
||||||
|
maxval(lattice_bct_interactionSlipSlip), &
|
||||||
|
!
|
||||||
|
maxval(lattice_fcc_interactionSlipTwin), &
|
||||||
|
maxval(lattice_bcc_interactionSlipTwin), &
|
||||||
|
maxval(lattice_hex_interactionSlipTwin), &
|
||||||
|
!maxval(lattice_bct_interactionSlipTwin), &
|
||||||
|
!
|
||||||
|
maxval(lattice_fcc_interactionTwinSlip), &
|
||||||
|
maxval(lattice_bcc_interactionTwinSlip), &
|
||||||
|
maxval(lattice_hex_interactionTwinSlip), &
|
||||||
|
!maxval(lattice_bct_interactionTwinSlip), &
|
||||||
|
!
|
||||||
|
maxval(lattice_fcc_interactionTwinTwin), &
|
||||||
|
maxval(lattice_bcc_interactionTwinTwin), &
|
||||||
|
maxval(lattice_hex_interactionTwinTwin) &
|
||||||
|
!maxval(lattice_bct_interactionTwinTwin)))
|
||||||
|
) !< max # of interaction types (in hardening matrix part)
|
||||||
|
#endif
|
||||||
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
||||||
lattice_C66, lattice_trans_C66
|
lattice_C66, lattice_trans_C66
|
||||||
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
|
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
|
||||||
|
@ -1250,38 +1269,19 @@ subroutine lattice_init
|
||||||
compiler_options
|
compiler_options
|
||||||
#endif
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_open_file,&
|
|
||||||
IO_open_jobFile_stat, &
|
|
||||||
IO_countSections, &
|
|
||||||
IO_error, &
|
IO_error, &
|
||||||
IO_timeStamp, &
|
IO_timeStamp
|
||||||
IO_EOF, &
|
|
||||||
IO_read, &
|
|
||||||
IO_lc, &
|
|
||||||
IO_getTag, &
|
|
||||||
IO_isBlank, &
|
|
||||||
IO_stringPos, &
|
|
||||||
IO_stringValue, &
|
|
||||||
IO_floatValue
|
|
||||||
use config, only: &
|
use config, only: &
|
||||||
material_configfile, &
|
config_phase
|
||||||
material_localFileExt, &
|
|
||||||
material_partPhase
|
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_lattice, &
|
|
||||||
debug_levelBasic
|
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), parameter :: FILEUNIT = 200_pInt
|
|
||||||
integer(pInt) :: Nphases
|
integer(pInt) :: Nphases
|
||||||
character(len=65536) :: &
|
character(len=65536) :: &
|
||||||
tag = '', &
|
tag = ''
|
||||||
line = ''
|
integer(pInt) :: section = 0_pInt,i,p
|
||||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
|
||||||
integer(pInt) :: section = 0_pInt,i
|
|
||||||
real(pReal), dimension(:), allocatable :: &
|
real(pReal), dimension(:), allocatable :: &
|
||||||
CoverA, & !!!!!!< c/a ratio for low symmetry type lattice
|
temp, &
|
||||||
|
CoverA, & !< c/a ratio for low symmetry type lattice
|
||||||
CoverA_trans, & !< c/a ratio for transformed hex type lattice
|
CoverA_trans, & !< c/a ratio for transformed hex type lattice
|
||||||
a_fcc, & !< lattice parameter a for fcc austenite
|
a_fcc, & !< lattice parameter a for fcc austenite
|
||||||
a_bcc !< lattice paramater a for bcc martensite
|
a_bcc !< lattice paramater a for bcc martensite
|
||||||
|
@ -1290,90 +1290,7 @@ subroutine lattice_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"
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
Nphases = size(config_phase)
|
||||||
! consistency checks (required since ifort 15.0 does not support sum/maxval in parameter definition)
|
|
||||||
|
|
||||||
if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,LATTICE_bct_Nslip])) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip')
|
|
||||||
if (LATTICE_maxNtwin /= maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin])) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtwin')
|
|
||||||
if (LATTICE_maxNtrans /= maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans])) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtrans')
|
|
||||||
if (LATTICE_maxNnonSchmid /= maxval([lattice_fcc_NnonSchmid,lattice_bcc_NnonSchmid,&
|
|
||||||
lattice_hex_NnonSchmid])) call IO_error(0_pInt,ext_msg = 'LATTICE_maxNnonSchmid')
|
|
||||||
|
|
||||||
if (LATTICE_fcc_Nslip /= sum(lattice_fcc_NslipSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Nslip')
|
|
||||||
if (LATTICE_bcc_Nslip /= sum(lattice_bcc_NslipSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Nslip')
|
|
||||||
if (LATTICE_hex_Nslip /= sum(lattice_hex_NslipSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Nslip')
|
|
||||||
if (LATTICE_bct_Nslip /= sum(lattice_bct_NslipSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Nslip')
|
|
||||||
|
|
||||||
if (LATTICE_fcc_Ntwin /= sum(lattice_fcc_NtwinSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntwin')
|
|
||||||
if (LATTICE_bcc_Ntwin /= sum(lattice_bcc_NtwinSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntwin')
|
|
||||||
if (LATTICE_hex_Ntwin /= sum(lattice_hex_NtwinSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntwin')
|
|
||||||
if (LATTICE_bct_Ntwin /= sum(lattice_bct_NtwinSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntwin')
|
|
||||||
|
|
||||||
if (LATTICE_fcc_Ntrans /= sum(lattice_fcc_NtransSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntrans')
|
|
||||||
if (LATTICE_bcc_Ntrans /= sum(lattice_bcc_NtransSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntrans')
|
|
||||||
if (LATTICE_hex_Ntrans /= sum(lattice_hex_NtransSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntrans')
|
|
||||||
if (LATTICE_bct_Ntrans /= sum(lattice_bct_NtransSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntrans')
|
|
||||||
|
|
||||||
if (LATTICE_fcc_Ncleavage /= sum(lattice_fcc_NcleavageSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ncleavage')
|
|
||||||
if (LATTICE_bcc_Ncleavage /= sum(lattice_bcc_NcleavageSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ncleavage')
|
|
||||||
if (LATTICE_hex_Ncleavage /= sum(lattice_hex_NcleavageSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ncleavage')
|
|
||||||
if (LATTICE_bct_Ncleavage /= sum(lattice_bct_NcleavageSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ncleavage')
|
|
||||||
if (LATTICE_iso_Ncleavage /= sum(lattice_iso_NcleavageSystem)) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_iso_Ncleavage')
|
|
||||||
|
|
||||||
if (LATTICE_maxNinteraction /= max(&
|
|
||||||
maxval(lattice_fcc_interactionSlipSlip), &
|
|
||||||
maxval(lattice_bcc_interactionSlipSlip), &
|
|
||||||
maxval(lattice_hex_interactionSlipSlip), &
|
|
||||||
maxval(lattice_bct_interactionSlipSlip), &
|
|
||||||
!
|
|
||||||
maxval(lattice_fcc_interactionSlipTwin), &
|
|
||||||
maxval(lattice_bcc_interactionSlipTwin), &
|
|
||||||
maxval(lattice_hex_interactionSlipTwin), &
|
|
||||||
! maxval(lattice_bct_interactionSlipTwin), &
|
|
||||||
!
|
|
||||||
maxval(lattice_fcc_interactionTwinSlip), &
|
|
||||||
maxval(lattice_bcc_interactionTwinSlip), &
|
|
||||||
maxval(lattice_hex_interactionTwinSlip), &
|
|
||||||
! maxval(lattice_bct_interactionTwinSlip), &
|
|
||||||
!
|
|
||||||
maxval(lattice_fcc_interactionTwinTwin), &
|
|
||||||
maxval(lattice_bcc_interactionTwinTwin), &
|
|
||||||
maxval(lattice_hex_interactionTwinTwin))) &
|
|
||||||
! maxval(lattice_bct_interactionTwinTwin))) &
|
|
||||||
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNinteraction')
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! read from material configuration file
|
|
||||||
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
|
|
||||||
Nphases = IO_countSections(FILEUNIT,material_partPhase)
|
|
||||||
|
|
||||||
if(Nphases<1_pInt) &
|
|
||||||
call IO_error(160_pInt,Nphases, ext_msg='No phases found')
|
|
||||||
|
|
||||||
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
|
|
||||||
write(6,'(a16,1x,i5)') ' # phases:',Nphases
|
|
||||||
endif
|
|
||||||
|
|
||||||
allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
|
allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
|
||||||
allocate(trans_lattice_structure(Nphases),source = LATTICE_undefined_ID)
|
allocate(trans_lattice_structure(Nphases),source = LATTICE_undefined_ID)
|
||||||
|
@ -1450,177 +1367,98 @@ subroutine lattice_init
|
||||||
allocate(a_fcc(Nphases),source=0.0_pReal)
|
allocate(a_fcc(Nphases),source=0.0_pReal)
|
||||||
allocate(a_bcc(Nphases),source=0.0_pReal)
|
allocate(a_bcc(Nphases),source=0.0_pReal)
|
||||||
|
|
||||||
rewind(fileUnit)
|
do p = 1, size(config_phase)
|
||||||
line = '' ! to have it initialized
|
tag = config_phase(p)%getString('lattice_structure')
|
||||||
section = 0_pInt ! - " -
|
select case(trim(tag))
|
||||||
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <Phase>
|
case('iso','isotropic')
|
||||||
line = IO_read(fileUnit)
|
lattice_structure(p) = LATTICE_iso_ID
|
||||||
enddo
|
case('fcc')
|
||||||
|
lattice_structure(p) = LATTICE_fcc_ID
|
||||||
|
case('bcc')
|
||||||
|
lattice_structure(p) = LATTICE_bcc_ID
|
||||||
|
case('hex','hexagonal')
|
||||||
|
lattice_structure(p) = LATTICE_hex_ID
|
||||||
|
case('bct')
|
||||||
|
lattice_structure(p) = LATTICE_bct_ID
|
||||||
|
case('ort','orthorhombic')
|
||||||
|
lattice_structure(p) = LATTICE_ort_ID
|
||||||
|
end select
|
||||||
|
|
||||||
do while (trim(line) /= IO_EOF) ! read through sections of material part
|
tag = 'undefined'
|
||||||
line = IO_read(fileUnit)
|
tag = config_phase(p)%getString('trans_lattice_structure',defaultVal=tag)
|
||||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
select case(trim(tag))
|
||||||
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
|
case('bcc')
|
||||||
line = IO_read(fileUnit, .true.) ! reset IO_read
|
trans_lattice_structure(section) = LATTICE_bcc_ID
|
||||||
exit
|
case('hex','hexagonal')
|
||||||
endif
|
trans_lattice_structure(section) = LATTICE_hex_ID
|
||||||
if (IO_getTag(line,'[',']') /= '') then ! next section
|
end select
|
||||||
section = section + 1_pInt
|
|
||||||
endif
|
lattice_C66(1,1,p) = config_phase(p)%getFloat('c11',defaultVal=0.0_pReal)
|
||||||
if (section > 0_pInt) then
|
lattice_C66(1,2,p) = config_phase(p)%getFloat('c12',defaultVal=0.0_pReal)
|
||||||
chunkPos = IO_stringPos(line)
|
lattice_C66(1,3,p) = config_phase(p)%getFloat('c13',defaultVal=0.0_pReal)
|
||||||
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
|
lattice_C66(2,3,p) = config_phase(p)%getFloat('c23',defaultVal=0.0_pReal)
|
||||||
select case(tag)
|
lattice_C66(3,3,p) = config_phase(p)%getFloat('c33',defaultVal=0.0_pReal)
|
||||||
case ('lattice_structure')
|
lattice_C66(4,4,p) = config_phase(p)%getFloat('c44',defaultVal=0.0_pReal)
|
||||||
select case(trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
|
lattice_C66(5,5,p) = config_phase(p)%getFloat('c55',defaultVal=0.0_pReal)
|
||||||
case('iso','isotropic')
|
lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal)
|
||||||
lattice_structure(section) = LATTICE_iso_ID
|
|
||||||
case('fcc')
|
lattice_trans_C66(1,1,p) = config_phase(p)%getFloat('c11_trans',defaultVal=0.0_pReal)
|
||||||
lattice_structure(section) = LATTICE_fcc_ID
|
lattice_trans_C66(1,2,p) = config_phase(p)%getFloat('c12_trans',defaultVal=0.0_pReal)
|
||||||
case('bcc')
|
lattice_trans_C66(1,3,p) = config_phase(p)%getFloat('c13_trans',defaultVal=0.0_pReal)
|
||||||
lattice_structure(section) = LATTICE_bcc_ID
|
lattice_trans_C66(2,2,p) = config_phase(p)%getFloat('c22_trans',defaultVal=0.0_pReal)
|
||||||
case('hex','hexagonal')
|
lattice_trans_C66(2,3,p) = config_phase(p)%getFloat('c23_trans',defaultVal=0.0_pReal)
|
||||||
lattice_structure(section) = LATTICE_hex_ID
|
lattice_trans_C66(3,3,p) = config_phase(p)%getFloat('c33_trans',defaultVal=0.0_pReal)
|
||||||
case('bct')
|
lattice_trans_C66(4,4,p) = config_phase(p)%getFloat('c44_trans',defaultVal=0.0_pReal)
|
||||||
lattice_structure(section) = LATTICE_bct_ID
|
lattice_trans_C66(5,5,p) = config_phase(p)%getFloat('c55_trans',defaultVal=0.0_pReal)
|
||||||
case('ort','orthorhombic')
|
lattice_trans_C66(6,6,p) = config_phase(p)%getFloat('c66_trans',defaultVal=0.0_pReal)
|
||||||
lattice_structure(section) = LATTICE_ort_ID
|
|
||||||
case default
|
CoverA(p) = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
|
||||||
call IO_error(130_pInt,ext_msg=trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
|
CoverA_trans(p) = config_phase(p)%getFloat('c/a_trans',defaultVal=0.0_pReal)
|
||||||
end select
|
a_fcc(p) = config_phase(p)%getFloat('a_fcc',defaultVal=0.0_pReal)
|
||||||
case('trans_lattice_structure')
|
a_bcc(p) = config_phase(p)%getFloat('a_bcc',defaultVal=0.0_pReal)
|
||||||
select case(trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
|
|
||||||
case('bcc')
|
lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal)
|
||||||
trans_lattice_structure(section) = LATTICE_bcc_ID
|
lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal)
|
||||||
case('hex','hexagonal','hcp')
|
lattice_thermalConductivity33(3,3,p) = config_phase(p)%getFloat('thermal_conductivity33',defaultVal=0.0_pReal)
|
||||||
trans_lattice_structure(section) = LATTICE_hex_ID
|
|
||||||
end select
|
temp = config_phase(p)%getFloats('thermal_expansion11',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
|
||||||
case ('c11')
|
lattice_thermalExpansion33(1,1,1:size(temp),p) = temp
|
||||||
lattice_C66(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
temp = config_phase(p)%getFloats('thermal_expansion22',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
|
||||||
case ('c12')
|
lattice_thermalExpansion33(2,2,1:size(temp),p) = temp
|
||||||
lattice_C66(1,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
temp = config_phase(p)%getFloats('thermal_expansion33',defaultVal=[0.0_pReal]) ! read up to three parameters (constant, linear, quadratic with T)
|
||||||
case ('c13')
|
lattice_thermalExpansion33(3,3,1:size(temp),p) = temp
|
||||||
lattice_C66(1,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('c22')
|
lattice_specificHeat(p) = config_phase(p)%getFloat( 'specific_heat',defaultVal=0.0_pReal)
|
||||||
lattice_C66(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_vacancyFormationEnergy(p) = config_phase(p)%getFloat( 'vacancyformationenergy',defaultVal=0.0_pReal)
|
||||||
case ('c23')
|
lattice_vacancySurfaceEnergy(p) = config_phase(p)%getFloat( 'vacancyvolume',defaultVal=0.0_pReal)
|
||||||
lattice_C66(2,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_vacancyVol(p) = config_phase(p)%getFloat( 'vacancysurfaceenergy',defaultVal=0.0_pReal)
|
||||||
case ('c33')
|
lattice_hydrogenFormationEnergy(p) = config_phase(p)%getFloat( 'hydrogenformationenergy',defaultVal=0.0_pReal)
|
||||||
lattice_C66(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_hydrogenSurfaceEnergy(p) = config_phase(p)%getFloat( 'hydrogensurfaceenergy',defaultVal=0.0_pReal)
|
||||||
case ('c44')
|
lattice_hydrogenVol(p) = config_phase(p)%getFloat( 'hydrogenvolume',defaultVal=0.0_pReal)
|
||||||
lattice_C66(4,4,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_massDensity(p) = config_phase(p)%getFloat( 'mass_density',defaultVal=0.0_pReal)
|
||||||
case ('c55')
|
lattice_referenceTemperature(p) = config_phase(p)%getFloat( 'reference_temperature',defaultVal=0.0_pReal)
|
||||||
lattice_C66(5,5,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_DamageDiffusion33(1,1,p) = config_phase(p)%getFloat( 'damage_diffusion11',defaultVal=0.0_pReal)
|
||||||
case ('c66')
|
lattice_DamageDiffusion33(2,2,p) = config_phase(p)%getFloat( 'damage_diffusion22',defaultVal=0.0_pReal)
|
||||||
lattice_C66(6,6,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
|
||||||
case ('c11_trans')
|
lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_vacancyfluxDiffusion33(1,1,p) = config_phase(p)%getFloat( 'vacancyflux_diffusion11',defaultVal=0.0_pReal)
|
||||||
case ('c12_trans')
|
lattice_vacancyfluxDiffusion33(2,2,p) = config_phase(p)%getFloat( 'vacancyflux_diffusion22',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(1,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_vacancyfluxDiffusion33(3,3,p) = config_phase(p)%getFloat( 'vacancyflux_diffusion33',defaultVal=0.0_pReal)
|
||||||
case ('c13_trans')
|
lattice_vacancyfluxMobility33(1,1,p) = config_phase(p)%getFloat( 'vacancyflux_mobility11',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(1,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_vacancyfluxMobility33(2,2,p) = config_phase(p)%getFloat( 'vacancyflux_mobility22',defaultVal=0.0_pReal)
|
||||||
case ('c22_trans')
|
lattice_vacancyfluxMobility33(3,3,p) = config_phase(p)%getFloat( 'vacancyflux_mobility33',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_PorosityDiffusion33(1,1,p) = config_phase(p)%getFloat( 'porosity_diffusion11',defaultVal=0.0_pReal)
|
||||||
case ('c23_trans')
|
lattice_PorosityDiffusion33(2,2,p) = config_phase(p)%getFloat( 'porosity_diffusion22',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(2,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_PorosityDiffusion33(3,3,p) = config_phase(p)%getFloat( 'porosity_diffusion33',defaultVal=0.0_pReal)
|
||||||
case ('c33_trans')
|
lattice_PorosityMobility(p) = config_phase(p)%getFloat( 'porosity_mobility',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_hydrogenfluxDiffusion33(1,1,p) = config_phase(p)%getFloat( 'hydrogenflux_diffusion11',defaultVal=0.0_pReal)
|
||||||
case ('c44_trans')
|
lattice_hydrogenfluxDiffusion33(2,2,p) = config_phase(p)%getFloat( 'hydrogenflux_diffusion22',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(4,4,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_hydrogenfluxDiffusion33(3,3,p) = config_phase(p)%getFloat( 'hydrogenflux_diffusion33',defaultVal=0.0_pReal)
|
||||||
case ('c55_trans')
|
lattice_hydrogenfluxMobility33(1,1,p) = config_phase(p)%getFloat( 'hydrogenflux_mobility11',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(5,5,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_hydrogenfluxMobility33(2,2,p) = config_phase(p)%getFloat( 'hydrogenflux_mobility22',defaultVal=0.0_pReal)
|
||||||
case ('c66_trans')
|
lattice_hydrogenfluxMobility33(3,3,p) = config_phase(p)%getFloat( 'hydrogenflux_mobility33',defaultVal=0.0_pReal)
|
||||||
lattice_trans_C66(6,6,section) = IO_floatValue(line,chunkPos,2_pInt)
|
lattice_equilibriumVacancyConcentration(p) = config_phase(p)%getFloat( 'vacancy_eqcv',defaultVal=0.0_pReal)
|
||||||
case ('covera_ratio','c/a_ratio','c/a')
|
lattice_equilibriumHydrogenConcentration(p) = config_phase(p)%getFloat( 'hydrogen_eqch',defaultVal=0.0_pReal)
|
||||||
CoverA(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('c/a_trans','c/a_martensite','c/a_mart')
|
|
||||||
CoverA_trans(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('a_fcc')
|
|
||||||
a_fcc(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('a_bcc')
|
|
||||||
a_bcc(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('thermal_conductivity11')
|
|
||||||
lattice_thermalConductivity33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('thermal_conductivity22')
|
|
||||||
lattice_thermalConductivity33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('thermal_conductivity33')
|
|
||||||
lattice_thermalConductivity33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('thermal_expansion11')
|
|
||||||
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T)
|
|
||||||
lattice_thermalExpansion33(1,1,i-1_pInt,section) = IO_floatValue(line,chunkPos,i)
|
|
||||||
enddo
|
|
||||||
case ('thermal_expansion22')
|
|
||||||
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T)
|
|
||||||
lattice_thermalExpansion33(2,2,i-1_pInt,section) = IO_floatValue(line,chunkPos,i)
|
|
||||||
enddo
|
|
||||||
case ('thermal_expansion33')
|
|
||||||
do i = 2_pInt, min(4,chunkPos(1)) ! read up to three parameters (constant, linear, quadratic with T)
|
|
||||||
lattice_thermalExpansion33(3,3,i-1_pInt,section) = IO_floatValue(line,chunkPos,i)
|
|
||||||
enddo
|
|
||||||
case ('specific_heat')
|
|
||||||
lattice_specificHeat(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyformationenergy')
|
|
||||||
lattice_vacancyFormationEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancysurfaceenergy')
|
|
||||||
lattice_vacancySurfaceEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyvolume')
|
|
||||||
lattice_vacancyVol(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenformationenergy')
|
|
||||||
lattice_hydrogenFormationEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogensurfaceenergy')
|
|
||||||
lattice_hydrogenSurfaceEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenvolume')
|
|
||||||
lattice_hydrogenVol(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('mass_density')
|
|
||||||
lattice_massDensity(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('reference_temperature')
|
|
||||||
lattice_referenceTemperature(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('damage_diffusion11')
|
|
||||||
lattice_DamageDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('damage_diffusion22')
|
|
||||||
lattice_DamageDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('damage_diffusion33')
|
|
||||||
lattice_DamageDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('damage_mobility')
|
|
||||||
lattice_DamageMobility(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyflux_diffusion11')
|
|
||||||
lattice_vacancyfluxDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyflux_diffusion22')
|
|
||||||
lattice_vacancyfluxDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyflux_diffusion33')
|
|
||||||
lattice_vacancyfluxDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyflux_mobility11')
|
|
||||||
lattice_vacancyfluxMobility33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyflux_mobility22')
|
|
||||||
lattice_vacancyfluxMobility33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancyflux_mobility33')
|
|
||||||
lattice_vacancyfluxMobility33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('porosity_diffusion11')
|
|
||||||
lattice_PorosityDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('porosity_diffusion22')
|
|
||||||
lattice_PorosityDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('porosity_diffusion33')
|
|
||||||
lattice_PorosityDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('porosity_mobility')
|
|
||||||
lattice_PorosityMobility(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenflux_diffusion11')
|
|
||||||
lattice_hydrogenfluxDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenflux_diffusion22')
|
|
||||||
lattice_hydrogenfluxDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenflux_diffusion33')
|
|
||||||
lattice_hydrogenfluxDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenflux_mobility11')
|
|
||||||
lattice_hydrogenfluxMobility33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenflux_mobility22')
|
|
||||||
lattice_hydrogenfluxMobility33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogenflux_mobility33')
|
|
||||||
lattice_hydrogenfluxMobility33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('vacancy_eqcv')
|
|
||||||
lattice_equilibriumVacancyConcentration(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
case ('hydrogen_eqch')
|
|
||||||
lattice_equilibriumHydrogenConcentration(section) = IO_floatValue(line,chunkPos,2_pInt)
|
|
||||||
end select
|
|
||||||
endif
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
do i = 1_pInt,Nphases
|
do i = 1_pInt,Nphases
|
||||||
|
@ -1631,8 +1469,6 @@ subroutine lattice_init
|
||||||
call lattice_initializeStructure(i, CoverA(i), CoverA_trans(i), a_fcc(i), a_bcc(i))
|
call lattice_initializeStructure(i, CoverA(i), CoverA_trans(i), a_fcc(i), a_bcc(i))
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
deallocate(CoverA,CoverA_trans,a_fcc,a_bcc)
|
|
||||||
|
|
||||||
end subroutine lattice_init
|
end subroutine lattice_init
|
||||||
|
|
||||||
|
|
||||||
|
@ -1790,16 +1626,16 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
||||||
myNtwin = lattice_fcc_Ntwin
|
myNtwin = lattice_fcc_Ntwin
|
||||||
myNtrans = lattice_fcc_Ntrans
|
myNtrans = lattice_fcc_Ntrans
|
||||||
myNcleavage = lattice_fcc_Ncleavage
|
myNcleavage = lattice_fcc_Ncleavage
|
||||||
do i = 1_pInt,myNslip ! assign slip system vectors
|
do i = 1_pInt,myNslip ! assign slip system vectors
|
||||||
sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
|
sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
|
||||||
sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
|
sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
|
||||||
enddo
|
enddo
|
||||||
do i = 1_pInt,myNtwin ! assign twin system vectors and shears
|
do i = 1_pInt,myNtwin ! assign twin system vectors and shears
|
||||||
td(1:3,i) = lattice_fcc_systemTwin(1:3,i)
|
td(1:3,i) = lattice_fcc_systemTwin(1:3,i)
|
||||||
tn(1:3,i) = lattice_fcc_systemTwin(4:6,i)
|
tn(1:3,i) = lattice_fcc_systemTwin(4:6,i)
|
||||||
ts(i) = lattice_fcc_shearTwin(i)
|
ts(i) = lattice_fcc_shearTwin(i)
|
||||||
enddo
|
enddo
|
||||||
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
|
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
|
||||||
cd(1:3,i) = lattice_fcc_systemCleavage(1:3,i)/norm2(lattice_fcc_systemCleavage(1:3,i))
|
cd(1:3,i) = lattice_fcc_systemCleavage(1:3,i)/norm2(lattice_fcc_systemCleavage(1:3,i))
|
||||||
cn(1:3,i) = lattice_fcc_systemCleavage(4:6,i)/norm2(lattice_fcc_systemCleavage(4:6,i))
|
cn(1:3,i) = lattice_fcc_systemCleavage(4:6,i)/norm2(lattice_fcc_systemCleavage(4:6,i))
|
||||||
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
ct(1:3,i) = math_crossproduct(cd(1:3,i),cn(1:3,i))
|
||||||
|
@ -1807,16 +1643,16 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
|
||||||
|
|
||||||
! Phase transformation
|
! Phase transformation
|
||||||
select case(trans_lattice_structure(myPhase))
|
select case(trans_lattice_structure(myPhase))
|
||||||
case (LATTICE_bcc_ID) ! fcc to bcc transformation
|
case (LATTICE_bcc_ID) ! fcc to bcc transformation
|
||||||
do i = 1_pInt,myNtrans
|
do i = 1_pInt,myNtrans
|
||||||
Rtr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_systemTrans(1:3,i), & ! Pitsch rotation
|
Rtr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_systemTrans(1:3,i), & ! Pitsch rotation
|
||||||
lattice_fccTobcc_systemTrans(4,i)*INRAD)
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lattice_fccTobcc_systemTrans(4,i)*INRAD)
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||||||
Btr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system
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Btr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system
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||||||
lattice_fccTobcc_bainRot(4,i)*INRAD)
|
lattice_fccTobcc_bainRot(4,i)*INRAD)
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||||||
xtr(1:3,i) = real(LATTICE_fccTobcc_bainVariant(1:3,i),pReal)
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xtr(1:3,i) = real(LATTICE_fccTobcc_bainVariant(1:3,i),pReal)
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||||||
ytr(1:3,i) = real(LATTICE_fccTobcc_bainVariant(4:6,i),pReal)
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ytr(1:3,i) = real(LATTICE_fccTobcc_bainVariant(4:6,i),pReal)
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||||||
ztr(1:3,i) = real(LATTICE_fccTobcc_bainVariant(7:9,i),pReal)
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ztr(1:3,i) = real(LATTICE_fccTobcc_bainVariant(7:9,i),pReal)
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||||||
Utr(1:3,1:3,i) = 0.0_pReal ! Bain deformation
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Utr(1:3,1:3,i) = 0.0_pReal ! Bain deformation
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||||||
if ((a_fcc > 0.0_pReal) .and. (a_bcc > 0.0_pReal)) then
|
if ((a_fcc > 0.0_pReal) .and. (a_bcc > 0.0_pReal)) then
|
||||||
Utr(1:3,1:3,i) = (a_bcc/a_fcc)*math_tensorproduct33(xtr(1:3,i), xtr(1:3,i)) + &
|
Utr(1:3,1:3,i) = (a_bcc/a_fcc)*math_tensorproduct33(xtr(1:3,i), xtr(1:3,i)) + &
|
||||||
sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct33(ytr(1:3,i), ytr(1:3,i)) + &
|
sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct33(ytr(1:3,i), ytr(1:3,i)) + &
|
||||||
|
|
|
@ -16,7 +16,6 @@ module numerics
|
||||||
integer(pInt), protected, public :: &
|
integer(pInt), protected, public :: &
|
||||||
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
|
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
|
||||||
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
|
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
|
||||||
nHomog = 20_pInt, & !< homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
|
|
||||||
nMPstate = 10_pInt, & !< materialpoint state loop limit
|
nMPstate = 10_pInt, & !< materialpoint state loop limit
|
||||||
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
|
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
|
||||||
nState = 10_pInt, & !< state loop limit
|
nState = 10_pInt, & !< state loop limit
|
||||||
|
@ -284,8 +283,6 @@ subroutine numerics_init
|
||||||
pert_Fg = IO_floatValue(line,chunkPos,2_pInt)
|
pert_Fg = IO_floatValue(line,chunkPos,2_pInt)
|
||||||
case ('pert_method')
|
case ('pert_method')
|
||||||
pert_method = IO_intValue(line,chunkPos,2_pInt)
|
pert_method = IO_intValue(line,chunkPos,2_pInt)
|
||||||
case ('nhomog')
|
|
||||||
nHomog = IO_intValue(line,chunkPos,2_pInt)
|
|
||||||
case ('nmpstate')
|
case ('nmpstate')
|
||||||
nMPstate = IO_intValue(line,chunkPos,2_pInt)
|
nMPstate = IO_intValue(line,chunkPos,2_pInt)
|
||||||
case ('ncryst')
|
case ('ncryst')
|
||||||
|
@ -536,7 +533,6 @@ subroutine numerics_init
|
||||||
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
|
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
|
||||||
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
|
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
|
||||||
|
|
||||||
write(6,'(a24,1x,i8)') ' nHomog: ',nHomog
|
|
||||||
write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog
|
write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog
|
||||||
write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog
|
write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog
|
||||||
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
|
write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
|
||||||
|
@ -646,7 +642,6 @@ subroutine numerics_init
|
||||||
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
|
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
|
||||||
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
|
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
|
||||||
call IO_error(301_pInt,ext_msg='pert_method')
|
call IO_error(301_pInt,ext_msg='pert_method')
|
||||||
if (nHomog < 1_pInt) call IO_error(301_pInt,ext_msg='nHomog')
|
|
||||||
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
|
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
|
||||||
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
|
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
|
||||||
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
|
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
|
||||||
|
|
Loading…
Reference in New Issue