Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Philip Eisenlohr
commit
426658eb36
|
|
@ -3962,7 +3962,6 @@ subroutine crystallite_orientations
|
|||
use plastic_nonlocal, only: &
|
||||
plastic_nonlocal_updateCompatibility
|
||||
|
||||
|
||||
implicit none
|
||||
integer(pInt) &
|
||||
c, & !< counter in integration point component loop
|
||||
|
|
@ -3978,25 +3977,25 @@ subroutine crystallite_orientations
|
|||
|
||||
! --- CALCULATE ORIENTATION AND LATTICE ROTATION ---
|
||||
|
||||
nonlocalPresent: if (any(plasticState%nonLocal)) then
|
||||
!$OMP PARALLEL DO PRIVATE(orientation)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||
do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||
do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
|
||||
! somehow this subroutine is not threadsafe, so need critical statement here; not clear, what exactly the problem is
|
||||
!$OMP CRITICAL (polarDecomp)
|
||||
orientation = math_RtoQ(transpose(math_rotationalPart33(crystallite_Fe(1:3,1:3,c,i,e)))) ! rotational part from polar decomposition as quaternion
|
||||
orientation = math_RtoQ(transpose(math_rotationalPart33(crystallite_Fe(1:3,1:3,c,i,e))))
|
||||
!$OMP END CRITICAL (polarDecomp)
|
||||
crystallite_rotation(1:4,c,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,c,i,e), & ! active rotation from ori0
|
||||
orientation) ! to current orientation (with no symmetry)
|
||||
crystallite_orientation(1:4,c,i,e) = orientation
|
||||
enddo; enddo; enddo
|
||||
crystallite_rotation(1:4,c,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,c,i,e), &! active rotation from initial
|
||||
orientation) ! to current orientation (with no symmetry)
|
||||
crystallite_orientation(1:4,c,i,e) = orientation
|
||||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
|
||||
! --- UPDATE SOME ADDITIONAL VARIABLES THAT ARE NEEDED FOR NONLOCAL MATERIAL ---
|
||||
! --- we use crystallite_orientation from above, so need a separate loop
|
||||
|
||||
nonlocalPresent: if (any(plasticState%nonLocal)) then
|
||||
!$OMP PARALLEL DO PRIVATE(myPhase,neighboring_e,neighboring_i,neighboringPhase)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||
|
|
|
|||
138
code/lattice.f90
138
code/lattice.f90
|
|
@ -17,13 +17,7 @@ module lattice
|
|||
LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
|
||||
LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
|
||||
LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures
|
||||
LATTICE_maxNcleavageFamily = 3_pInt, & !< max # of transformation system families over lattice structures
|
||||
LATTICE_maxNslip = 52_pInt, & !< max # of slip systems over lattice structures
|
||||
LATTICE_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
|
||||
LATTICE_maxNinteraction = 182_pInt, & !< max # of interaction types (in hardening matrix part)
|
||||
LATTICE_maxNnonSchmid = 6_pInt, & !< max # of non schmid contributions over lattice structures
|
||||
LATTICE_maxNtrans = 12_pInt, & !< max # of transformations over lattice structures
|
||||
LATTICE_maxNcleavage = 9_pInt !< max # of cleavage over lattice structures
|
||||
LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
|
||||
|
||||
integer(pInt), allocatable, dimension(:,:), protected, public :: &
|
||||
lattice_NslipSystem, & !< total # of slip systems in each family
|
||||
|
|
@ -80,25 +74,25 @@ module lattice
|
|||
lattice_NnonSchmid !< total # of non-Schmid contributions for each structure
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! fcc
|
||||
! face centered cubic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc
|
||||
LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc
|
||||
LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< total # of transformation systems per family for fcc
|
||||
LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< # of transformation systems per family for fcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< total # of cleavage systems per family for fcc
|
||||
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc
|
||||
|
||||
integer(pInt), parameter, private :: &
|
||||
LATTICE_fcc_Nslip = sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
|
||||
LATTICE_fcc_Ntwin = sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc
|
||||
LATTICE_fcc_Nslip = 12_pInt, & !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
|
||||
LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
|
||||
LATTICE_fcc_Ntrans = sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc
|
||||
LATTICE_fcc_Ncleavage = sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc
|
||||
LATTICE_fcc_Ntrans = 12_pInt, & !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
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
|
||||
LATTICE_fcc_systemSlip = reshape(real([&
|
||||
|
|
@ -312,8 +306,8 @@ module lattice
|
|||
0.0, 0.0, 1.0, 45.0 &
|
||||
],[ 4_pInt,LATTICE_fcc_Ntrans])
|
||||
|
||||
real(pReal), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans), parameter, private :: & ! Matrix for projection of shear from slip system to fault-band (twin) systems
|
||||
LATTICE_fccTobcc_projectionTrans = reshape(real([& ! For ns = nt = nr
|
||||
real(pReal), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans), parameter, private :: & ! Matrix for projection of shear from slip system to fault-band (twin) systems
|
||||
LATTICE_fccTobcc_projectionTrans = reshape(real([& ! For ns = nt = nr
|
||||
0, 1,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
|
||||
-1, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
|
||||
1,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
|
||||
|
|
@ -363,25 +357,25 @@ module lattice
|
|||
],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Ncleavage])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! bcc
|
||||
! body centered cubic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc
|
||||
LATTICE_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0], pInt) !< # of slip systems per family for bcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< total # of twin systems per family for bcc
|
||||
LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_bcc_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for bcc
|
||||
LATTICE_bcc_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_bcc_NcleavageSystem = int([3,6,0],pInt) !< total # of cleavage systems per family for bcc
|
||||
LATTICE_bcc_NcleavageSystem = int([3,6,0],pInt) !< # of cleavage systems per family for bcc
|
||||
|
||||
integer(pInt), parameter, private :: &
|
||||
LATTICE_bcc_Nslip = sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
|
||||
LATTICE_bcc_Ntwin = sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc
|
||||
LATTICE_bcc_Nslip = 24_pInt, & !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
|
||||
LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
|
||||
LATTICE_bcc_Ntrans = sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
|
||||
LATTICE_bcc_Ncleavage = sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
|
||||
LATTICE_bcc_Ntrans = 0_pInt, & !sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
|
||||
LATTICE_bcc_Ncleavage = 9_pInt !sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
|
||||
LATTICE_bcc_systemSlip = reshape(real([&
|
||||
|
|
@ -560,7 +554,7 @@ module lattice
|
|||
],pReal),[ 3_pInt + 3_pInt,LATTICE_bcc_Ncleavage])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! hex
|
||||
! hexagonal
|
||||
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
|
||||
|
||||
|
|
@ -568,17 +562,17 @@ module lattice
|
|||
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_hex_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for hex
|
||||
LATTICE_hex_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for hex
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_hex_NcleavageSystem = int([3,0,0],pInt) !< total # 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 :: &
|
||||
LATTICE_hex_Nslip = sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex
|
||||
LATTICE_hex_Ntwin = sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex
|
||||
LATTICE_hex_Nslip = 33_pInt, & !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_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex
|
||||
LATTICE_hex_Ntrans = sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex
|
||||
LATTICE_hex_Ncleavage = sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex
|
||||
LATTICE_hex_Ntrans = 0_pInt, & !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
|
||||
|
||||
real(pReal), dimension(4+4,LATTICE_hex_Nslip), parameter, private :: &
|
||||
LATTICE_hex_systemSlip = reshape(real([&
|
||||
|
|
@ -842,25 +836,25 @@ module lattice
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! bct
|
||||
! body centered tetragonal
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_bct_NslipSystem = int([2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ],pInt) !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< total # of twin systems per family for bct-example
|
||||
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_bct_NtransSystem = int([0,0],pInt) !< total # of transformation systems per family for bct
|
||||
LATTICE_bct_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bct
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_bct_NcleavageSystem = int([0,0,0],pInt) !< total # 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 :: &
|
||||
LATTICE_bct_Nslip = sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct
|
||||
LATTICE_bct_Ntwin = sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct
|
||||
LATTICE_bct_Nslip = 52_pInt, & !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_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct
|
||||
LATTICE_bct_Ntrans = sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct
|
||||
LATTICE_bct_Ncleavage = sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct
|
||||
LATTICE_bct_Ntrans = 0_pInt, & !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
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_bct_Nslip), parameter, private :: &
|
||||
LATTICE_bct_systemSlip = reshape(real([&
|
||||
|
|
@ -1003,12 +997,25 @@ module lattice
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! isotropic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_iso_NslipSystem = int([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ],pInt) !< # of slip systems per family for iso
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_iso_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for iso
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_iso_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for iso
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_iso_NcleavageSystem = int([3,0,0],pInt) !< total # 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 :: &
|
||||
LATTICE_iso_Ncleavage = sum(LATTICE_iso_NcleavageSystem) !< total # of cleavage systems for iso
|
||||
|
||||
LATTICE_iso_Nslip = 0_pInt, & !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_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_Ncleavage = 3_pInt !sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
|
||||
LATTICE_iso_systemCleavage = reshape(real([&
|
||||
! Cleavage direction Plane normal
|
||||
|
|
@ -1019,12 +1026,25 @@ module lattice
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! orthorhombic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_ortho_NslipSystem = int([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ],pInt) !< # of slip systems per family for ortho
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_ortho_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for ortho
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
|
||||
LATTICE_ortho_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for ortho
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
|
||||
LATTICE_ortho_NcleavageSystem = int([1,1,1],pInt) !< total # 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 :: &
|
||||
LATTICE_ortho_Ncleavage = sum(LATTICE_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
|
||||
|
||||
LATTICE_ortho_Nslip = 0_pInt, & !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_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_Ncleavage = 3_pInt !sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: &
|
||||
LATTICE_ortho_systemCleavage = reshape(real([&
|
||||
! Cleavage direction Plane normal
|
||||
|
|
@ -1033,6 +1053,26 @@ module lattice
|
|||
1, 0, 0, 0, 0, 1 &
|
||||
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage])
|
||||
|
||||
integer(pInt), parameter, public :: &
|
||||
LATTICE_maxNslip = 52_pInt, &
|
||||
!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_maxNtwin = 24_pInt, &
|
||||
!LATTICE_maxNtwin = maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin,\
|
||||
! LATTICE_bct_Ntwin,LATTICE_iso_Ntwin,LATTICE_ortho_Ntwin]), & !< max # of twin systems over lattice structures
|
||||
LATTICE_maxNnonSchmid = 6_pInt, &
|
||||
!LATTICE_maxNtwin = maxval([LATTICE_fcc_NnonSchmid,LATTICE_bcc_NnonSchmid,\
|
||||
! LATTICE_hex_NnonSchmid,LATTICE_bct_NnonSchmid,\
|
||||
! LATTICE_iso_NnonSchmid,LATTICE_ortho_NnonSchmid]), & !< max # of non-Schmid contributions over lattice structures
|
||||
LATTICE_maxNtrans = 12_pInt, &
|
||||
!LATTICE_maxNtrans = maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans,\
|
||||
! LATTICE_bct_Ntrans,LATTICE_iso_Ntrans,LATTICE_ortho_Ntrans]),&!< max # of transformation systems over lattice structures
|
||||
LATTICE_maxNcleavage = 9_pInt, &
|
||||
!LATTICE_maxNcleavage = maxval([LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage,\
|
||||
! LATTICE_hex_Ncleavage,LATTICE_bct_Ncleavage,\
|
||||
! LATTICE_iso_Ncleavage,LATTICE_ortho_Ncleavage]) !< max # of cleavage systems over lattice structures
|
||||
LATTICE_maxNinteraction = 182_pInt !< max # of interaction types (in hardening matrix part)
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
|
||||
lattice_C66, lattice_trans_C66
|
||||
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
|
||||
|
|
@ -1250,7 +1290,7 @@ subroutine lattice_init
|
|||
endif mainProcess
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! consistency checks
|
||||
! 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')
|
||||
|
|
|
|||
|
|
@ -839,6 +839,9 @@ subroutine math_invert(myDim,A, InvA, error)
|
|||
|
||||
real(pReal), dimension(myDim,myDim), intent(out) :: invA
|
||||
logical, intent(out) :: error
|
||||
external :: &
|
||||
dgetrf, &
|
||||
dgetri
|
||||
|
||||
invA = A
|
||||
call dgetrf(myDim,myDim,invA,myDim,ipiv,ierr)
|
||||
|
|
|
|||
|
|
@ -0,0 +1 @@
|
|||
postProc
|
||||
|
|
@ -21,7 +21,7 @@ Operates on periodic three-dimensional x,y,z-ordered data sets.
|
|||
|
||||
|
||||
parser.add_option('-c','--coordinates',
|
||||
dest = 'coords',
|
||||
dest = 'pos',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'column heading of coordinates [%default]')
|
||||
parser.add_option('-f','--defgrad',
|
||||
|
|
@ -36,10 +36,10 @@ parser.add_option('--no-volume','-v',
|
|||
dest = 'volume',
|
||||
action = 'store_false',
|
||||
help = 'omit volume mismatch')
|
||||
parser.set_defaults(coords = 'pos',
|
||||
defgrad = 'f',
|
||||
shape = True,
|
||||
volume = True,
|
||||
parser.set_defaults(pos = 'pos',
|
||||
defgrad = 'f',
|
||||
shape = True,
|
||||
volume = True,
|
||||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
|
@ -64,8 +64,8 @@ for name in filenames:
|
|||
errors = []
|
||||
remarks = []
|
||||
|
||||
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
|
||||
else: colCoord = table.label_index(options.coords)
|
||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
if table.label_dimension(options.defgrad) != 9: errors.append('deformation gradient {} is not a tensor.'.format(options.defgrad))
|
||||
else: colF = table.label_index(options.defgrad)
|
||||
|
|
|
|||
|
|
@ -71,7 +71,7 @@ Deals with both vector- and tensor fields.
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-p','--pos','--periodiccellcenter',
|
||||
dest = 'coords',
|
||||
dest = 'pos',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'label of coordinates [%default]')
|
||||
parser.add_option('-v','--vector',
|
||||
|
|
@ -83,7 +83,7 @@ parser.add_option('-t','--tensor',
|
|||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'label(s) of tensor field values')
|
||||
|
||||
parser.set_defaults(coords = 'pos',
|
||||
parser.set_defaults(pos = 'pos',
|
||||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
|
@ -114,8 +114,8 @@ for name in filenames:
|
|||
remarks = []
|
||||
column = {}
|
||||
|
||||
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
|
||||
else: colCoord = table.label_index(options.coords)
|
||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
for type, data in items.iteritems():
|
||||
for what in (data['labels'] if data['labels'] is not None else []):
|
||||
|
|
|
|||
|
|
@ -57,7 +57,7 @@ Deals with both vector- and tensor-valued fields.
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-p','--pos','--periodiccellcenter',
|
||||
dest = 'coords',
|
||||
dest = 'pos',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'label of coordinates [%default]')
|
||||
parser.add_option('-v','--vector',
|
||||
|
|
@ -69,7 +69,7 @@ parser.add_option('-t','--tensor',
|
|||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'label(s) of tensor field values')
|
||||
|
||||
parser.set_defaults(coords = 'pos',
|
||||
parser.set_defaults(pos = 'pos',
|
||||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
|
@ -100,8 +100,8 @@ for name in filenames:
|
|||
remarks = []
|
||||
column = {}
|
||||
|
||||
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
|
||||
else: colCoord = table.label_index(options.coords)
|
||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
for type, data in items.iteritems():
|
||||
for what in (data['labels'] if data['labels'] is not None else []):
|
||||
|
|
|
|||
|
|
@ -90,7 +90,7 @@ Add column(s) containing Euclidean distance to grain structural features: bounda
|
|||
|
||||
parser.add_option('-p',
|
||||
'--pos', '--position',
|
||||
dest = 'coords', metavar = 'string',
|
||||
dest = 'pos', metavar = 'string',
|
||||
help = 'label of coordinates [%default]')
|
||||
parser.add_option('-i',
|
||||
'--id', '--identifier',
|
||||
|
|
@ -109,7 +109,7 @@ parser.add_option('-s',
|
|||
dest = 'scale', type = 'float', metavar = 'float',
|
||||
help = 'voxel size [%default]')
|
||||
|
||||
parser.set_defaults(coords = 'pos',
|
||||
parser.set_defaults(pos = 'pos',
|
||||
id = 'texture',
|
||||
neighborhood = 'neumann',
|
||||
scale = 1.0,
|
||||
|
|
@ -151,10 +151,10 @@ for name in filenames:
|
|||
remarks = []
|
||||
column = {}
|
||||
|
||||
coordDim = table.label_dimension(options.coords)
|
||||
coordDim = table.label_dimension(options.pos)
|
||||
if not 3 >= coordDim >= 1:
|
||||
errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.coords))
|
||||
else: coordCol = table.label_index(options.coords)
|
||||
errors.append('coordinates "{}" need to have one, two, or three dimensions.'.format(options.pos))
|
||||
else: coordCol = table.label_index(options.pos)
|
||||
|
||||
if table.label_dimension(options.id) != 1: errors.append('grain identifier {} not found.'.format(options.id))
|
||||
else: idCol = table.label_index(options.id)
|
||||
|
|
|
|||
|
|
@ -61,7 +61,7 @@ Deals with both vector- and scalar fields.
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-p','--pos','--periodiccellcenter',
|
||||
dest = 'coords',
|
||||
dest = 'pos',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'label of coordinates [%default]')
|
||||
parser.add_option('-v','--vector',
|
||||
|
|
@ -73,7 +73,7 @@ parser.add_option('-s','--scalar',
|
|||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'label(s) of scalar field values')
|
||||
|
||||
parser.set_defaults(coords = 'pos',
|
||||
parser.set_defaults(pos = 'pos',
|
||||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
|
@ -104,8 +104,8 @@ for name in filenames:
|
|||
remarks = []
|
||||
column = {}
|
||||
|
||||
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
|
||||
else: colCoord = table.label_index(options.coords)
|
||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
for type, data in items.iteritems():
|
||||
for what in (data['labels'] if data['labels'] is not None else []):
|
||||
|
|
|
|||
|
|
@ -20,7 +20,7 @@ Average each data block of size 'packing' into single values thus reducing the f
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-c','--coordinates',
|
||||
dest = 'coords',
|
||||
dest = 'pos',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'column label of coordinates [%default]')
|
||||
parser.add_option('-p','--packing',
|
||||
|
|
@ -39,7 +39,7 @@ parser.add_option('-s', '--size',
|
|||
dest = 'size',
|
||||
type = 'float', nargs = 3, metavar = 'float float float',
|
||||
help = 'size in x,y,z [autodetect]')
|
||||
parser.set_defaults(coords = 'pos',
|
||||
parser.set_defaults(pos = 'pos',
|
||||
packing = (2,2,2),
|
||||
shift = (0,0,0),
|
||||
grid = (0,0,0),
|
||||
|
|
@ -75,8 +75,8 @@ for name in filenames:
|
|||
errors = []
|
||||
remarks = []
|
||||
|
||||
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
|
||||
else: colCoord = table.label_index(options.coords)
|
||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
|
|
|
|||
|
|
@ -20,7 +20,7 @@ to resolution*packing.
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-c','--coordinates',
|
||||
dest = 'coords', metavar = 'string',
|
||||
dest = 'pos', metavar = 'string',
|
||||
help = 'column label of coordinates [%default]')
|
||||
parser.add_option('-p','--packing',
|
||||
dest = 'packing', type = 'int', nargs = 3, metavar = 'int int int',
|
||||
|
|
@ -31,7 +31,7 @@ parser.add_option('-g','--grid',
|
|||
parser.add_option('-s','--size',
|
||||
dest = 'dimension', type = 'float', nargs = 3, metavar = 'int int int',
|
||||
help = 'dimension in x,y,z [autodetect]')
|
||||
parser.set_defaults(coords = 'pos',
|
||||
parser.set_defaults(pos = 'pos',
|
||||
packing = (2,2,2),
|
||||
grid = (0,0,0),
|
||||
size = (0.0,0.0,0.0),
|
||||
|
|
@ -63,8 +63,8 @@ for name in filenames:
|
|||
errors = []
|
||||
remarks = []
|
||||
|
||||
if table.label_dimension(options.coords) != 3: errors.append('coordinates {} are not a vector.'.format(options.coords))
|
||||
else: colCoord = table.label_index(options.coords)
|
||||
if table.label_dimension(options.pos) != 3: errors.append('coordinates {} are not a vector.'.format(options.pos))
|
||||
else: colCoord = table.label_index(options.pos)
|
||||
|
||||
colElem = table.label_index('elem')
|
||||
|
||||
|
|
@ -76,7 +76,7 @@ for name in filenames:
|
|||
|
||||
# --------------- figure out size and grid ---------------------------------------------------------
|
||||
|
||||
table.data_readArray(options.coords)
|
||||
table.data_readArray(options.pos)
|
||||
table.data_rewind()
|
||||
|
||||
coords = [np.unique(table.data[:,i]) for i in xrange(3)]
|
||||
|
|
|
|||
|
|
@ -19,7 +19,7 @@ to resolution/packing.
|
|||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-c','--coordinates', dest='coords', type='string',\
|
||||
parser.add_option('-c','--coordinates', dest='pos', type='string',\
|
||||
help='column heading for coordinates [%default]')
|
||||
parser.add_option('-p','--packing', dest='packing', type='int', nargs=3, \
|
||||
help='dimension of packed group %default')
|
||||
|
|
@ -29,7 +29,7 @@ parser.add_option('-r','--resolution', dest='resolution', type='int', nargs=3,
|
|||
help='resolution in x,y,z [autodetect]')
|
||||
parser.add_option('-d','--dimension', dest='dimension', type='float', nargs=3, \
|
||||
help='dimension in x,y,z [autodetect]')
|
||||
parser.set_defaults(coords = 'ipinitialcoord')
|
||||
parser.set_defaults(coords = 'pos')
|
||||
parser.set_defaults(packing = [2,2,2])
|
||||
parser.set_defaults(shift = [0,0,0])
|
||||
parser.set_defaults(resolution = [0,0,0])
|
||||
|
|
@ -75,12 +75,12 @@ for file in files:
|
|||
|
||||
# --------------- figure out size and grid ---------------------------------------------------------
|
||||
try:
|
||||
locationCol = table.labels.index('1_%s'%options.coords) # columns containing location data
|
||||
locationCol = table.labels.index('1_%s'%options.pos) # columns containing location data
|
||||
except ValueError:
|
||||
try:
|
||||
locationCol = table.labels.index('%s.x'%options.coords) # columns containing location data (legacy naming scheme)
|
||||
locationCol = table.labels.index('%s.x'%options.pos) # columns containing location data (legacy naming scheme)
|
||||
except ValueError:
|
||||
file['croak'].write('no coordinate data (1_%s/%s.x) found...\n'%(options.coords,options.coords))
|
||||
file['croak'].write('no coordinate data (1_%s/%s.x) found...\n'%(options.pos,options.pos))
|
||||
continue
|
||||
|
||||
if (any(options.resolution)==0 or any(options.dimension)==0.0):
|
||||
|
|
|
|||
|
|
@ -21,7 +21,7 @@ Generate geometry description and material configuration from position, phase, a
|
|||
""", version = scriptID)
|
||||
|
||||
parser.add_option('--coordinates',
|
||||
dest = 'coordinates',
|
||||
dest = 'pos',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'coordinates label')
|
||||
parser.add_option('--phase',
|
||||
|
|
@ -135,11 +135,11 @@ for name in filenames:
|
|||
|
||||
# ------------------------------------------ sanity checks ---------------------------------------
|
||||
|
||||
coordDim = table.label_dimension(options.coordinates)
|
||||
coordDim = table.label_dimension(options.pos)
|
||||
|
||||
errors = []
|
||||
if not 3 >= coordDim >= 2:
|
||||
errors.append('coordinates "{}" need to have two or three dimensions.'.format(options.coordinates))
|
||||
errors.append('coordinates "{}" need to have two or three dimensions.'.format(options.pos))
|
||||
if not np.all(table.label_dimension(label) == dim):
|
||||
errors.append('input "{}" needs to have dimension {}.'.format(label,dim))
|
||||
if options.phase and table.label_dimension(options.phase) != 1:
|
||||
|
|
@ -150,7 +150,7 @@ for name in filenames:
|
|||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
table.data_readArray([options.coordinates] \
|
||||
table.data_readArray([options.pos] \
|
||||
+ ([label] if isinstance(label, types.StringTypes) else label) \
|
||||
+ ([options.phase] if options.phase else []))
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue