public variables not needed anymore
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@ -16,27 +16,20 @@ module lattice
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! BEGIN DEPRECATED
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integer(pInt), parameter, public :: &
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LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip 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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integer(pInt), allocatable, dimension(:,:), protected, public :: &
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lattice_NslipSystem, & !< total # of slip systems in each family
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lattice_NcleavageSystem !< total # of transformation systems in each family
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real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
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lattice_Scleavage !< Schmid matrices for cleavage systems
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real(pReal), allocatable, dimension(:,:,:), protected, public :: &
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lattice_sn, & !< normal direction of slip system
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lattice_st, & !< sd x sn
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lattice_sd !< slip direction of slip system
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! END DEPRECATED
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!--------------------------------------------------------------------------------------------------
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! face centered cubic
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: &
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LATTICE_FCC_NSLIPSYSTEM = int([12, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc
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integer(pInt), dimension(2), parameter, private :: &
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LATTICE_FCC_NSLIPSYSTEM = int([12, 6],pInt) !< # of slip systems per family for fcc
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integer(pInt), dimension(1), parameter, private :: &
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LATTICE_FCC_NTWINSYSTEM = int([12],pInt) !< # of twin systems per family for fcc
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@ -131,8 +124,8 @@ module lattice
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!--------------------------------------------------------------------------------------------------
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! body centered cubic
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: &
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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
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integer(pInt), dimension(2), parameter, private :: &
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LATTICE_BCC_NSLIPSYSTEM = int([12, 12], pInt) !< # of slip systems per family for bcc
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integer(pInt), dimension(1), parameter, private :: &
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LATTICE_BCC_NTWINSYSTEM = int([12], pInt) !< # of twin systems per family for bcc
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@ -216,8 +209,8 @@ module lattice
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!--------------------------------------------------------------------------------------------------
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! hexagonal
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: &
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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
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integer(pInt), dimension(6), parameter, private :: &
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LATTICE_HEX_NSLIPSYSTEM = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex
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integer(pInt), dimension(4), parameter, private :: &
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LATTICE_HEX_NTWINSYSTEM = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
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@ -331,7 +324,7 @@ module lattice
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!--------------------------------------------------------------------------------------------------
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! body centered tetragonal
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integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, private :: &
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integer(pInt), dimension(13), parameter, private :: &
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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
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integer(pInt), parameter, private :: &
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@ -458,8 +451,6 @@ module lattice
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! BEGIN DEPRECATED
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integer(pInt), parameter, public :: &
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LATTICE_maxNslip = max(LATTICE_FCC_NSLIP,LATTICE_BCC_NSLIP,LATTICE_HEX_NSLIP, &
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LATTICE_bct_Nslip), & !< max # of slip systems over lattice structures
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LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
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LATTICE_hex_Ncleavage, &
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LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage) !< max # of cleavage systems over lattice structures
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@ -581,18 +572,12 @@ subroutine lattice_init
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allocate(lattice_mu(Nphases), source=0.0_pReal)
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allocate(lattice_nu(Nphases), source=0.0_pReal)
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allocate(lattice_NslipSystem(lattice_maxNslipFamily,Nphases),source=0_pInt)
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allocate(lattice_Scleavage(3,3,3,lattice_maxNslip,Nphases),source=0.0_pReal)
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allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal)
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allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0_pInt)
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allocate(CoverA(Nphases),source=0.0_pReal)
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allocate(lattice_sd(3,lattice_maxNslip,Nphases),source=0.0_pReal)
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allocate(lattice_st(3,lattice_maxNslip,Nphases),source=0.0_pReal)
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allocate(lattice_sn(3,lattice_maxNslip,Nphases),source=0.0_pReal)
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do p = 1, size(config_phase)
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tag = config_phase(p)%getString('lattice_structure')
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select case(trim(tag))
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@ -682,11 +667,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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real(pReal), intent(in) :: &
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CoverA
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real(pReal), dimension(3,lattice_maxNslip) :: &
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sd, sn
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integer(pInt) :: &
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i, &
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myNslip, myNcleavage
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myNcleavage
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lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
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lattice_C66(1:6,1:6,myPhase))
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@ -715,77 +698,36 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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lattice_thermalConductivity33 (1:3,1:3,myPhase))
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lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
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lattice_DamageDiffusion33 (1:3,1:3,myPhase))
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myNslip = 0_pInt
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myNcleavage = 0_pInt
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select case(lattice_structure(myPhase))
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!--------------------------------------------------------------------------------------------------
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! fcc
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case (LATTICE_fcc_ID)
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myNslip = LATTICE_FCC_NSLIP
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myNcleavage = lattice_fcc_Ncleavage
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lattice_NslipSystem (1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem
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lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
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lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavageSystem,'fcc',covera)
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do i = 1_pInt,myNslip
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sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
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sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
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enddo
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!--------------------------------------------------------------------------------------------------
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! bcc
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case (LATTICE_bcc_ID)
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myNslip = LATTICE_BCC_NSLIP
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myNcleavage = lattice_bcc_Ncleavage
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lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
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lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
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lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera)
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do i = 1_pInt,myNslip
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sd(1:3,i) = lattice_bcc_systemSlip(1:3,i)
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sn(1:3,i) = lattice_bcc_systemSlip(4:6,i)
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enddo
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!--------------------------------------------------------------------------------------------------
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! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
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case (LATTICE_hex_ID)
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myNslip = LATTICE_HEX_NSLIP
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myNcleavage = lattice_hex_Ncleavage
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lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = LATTICE_HEX_NSLIPSystem
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem
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lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
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lattice_SchmidMatrix_cleavage(lattice_hex_ncleavagesystem,'hex',covera)
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do i = 1_pInt,myNslip ! assign slip system vectors
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sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
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sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*&
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0.5_pReal*sqrt(3.0_pReal)
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sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
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sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
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sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
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sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
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enddo
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!--------------------------------------------------------------------------------------------------
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! bct
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case (LATTICE_bct_ID)
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myNslip = lattice_bct_Nslip
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lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bct_NslipSystem
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do i = 1_pInt,myNslip ! assign slip system vectors
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sd(1:2,i) = lattice_bct_systemSlip(1:2,i)
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sd(3,i) = lattice_bct_systemSlip(3,i)*CoverA
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sn(1:2,i) = lattice_bct_systemSlip(4:5,i)
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sn(3,i) = lattice_bct_systemSlip(6,i)/CoverA
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enddo
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!--------------------------------------------------------------------------------------------------
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! orthorhombic (no crystal plasticity)
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case (LATTICE_ort_ID)
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@ -810,13 +752,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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call IO_error(130_pInt,ext_msg='lattice_initializeStructure')
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end select
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do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
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lattice_sd(1:3,i,myPhase) = sd(1:3,i)/norm2(sd(1:3,i)) ! make unit vector
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lattice_sn(1:3,i,myPhase) = sn(1:3,i)/norm2(sn(1:3,i)) ! make unit vector
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lattice_st(1:3,i,myPhase) = math_cross(lattice_sd(1:3,i,myPhase),lattice_sn(1:3,i,myPhase))
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enddo
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end subroutine lattice_initializeStructure
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