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95826d094c
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@ -28,12 +28,9 @@ module lattice
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integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
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integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
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lattice_interactionSlipSlip, & !< Slip--slip interaction type
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lattice_interactionSlipSlip, & !< Slip--slip interaction type
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lattice_interactionSlipTwin, & !< Slip--twin interaction type
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lattice_interactionTwinSlip, & !< Twin--slip interaction type
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lattice_interactionTwinTwin, & !< Twin--twin interaction type
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lattice_interactionSlipTrans, & !< Slip--trans interaction type
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lattice_interactionSlipTrans, & !< Slip--trans interaction type
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lattice_interactionTransSlip, & !< Trans--slip interaction type
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lattice_interactionTransSlip !< Trans--slip interaction type
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lattice_interactionTransTrans !< Trans--trans interaction type
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real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
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real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
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lattice_Sslip, & !< Schmid and non-Schmid matrices
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lattice_Sslip, & !< Schmid and non-Schmid matrices
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@ -44,14 +41,12 @@ module lattice
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lattice_Scleavage_v, & !< Mandel notation of lattice_Scleavege
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lattice_Scleavage_v, & !< Mandel notation of lattice_Scleavege
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lattice_Qtrans, & !< Total rotation: Q = R*B
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lattice_Qtrans, & !< Total rotation: Q = R*B
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lattice_Strans, & !< Eigendeformation tensor for phase transformation
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lattice_Strans, & !< Eigendeformation tensor for phase transformation
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lattice_Stwin, &
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lattice_Qtwin
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lattice_Qtwin
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real(pReal), allocatable, dimension(:,:,:), protected, public :: &
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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_sn, & !< normal direction of slip system
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lattice_st, & !< sd x sn
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lattice_st, & !< sd x sn
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lattice_sd, & !< slip direction of slip system
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lattice_sd, & !< slip direction of slip system
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lattice_Stwin_v, &
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lattice_Strans_v !< Eigendeformation tensor in vector form
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lattice_Strans_v !< Eigendeformation tensor in vector form
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real(pReal), allocatable, dimension(:,:), protected, public :: &
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real(pReal), allocatable, dimension(:,:), protected, public :: &
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@ -1344,8 +1339,6 @@ subroutine lattice_init
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allocate(lattice_Scleavage_v(6,3,lattice_maxNslip,Nphases),source=0.0_pReal)
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allocate(lattice_Scleavage_v(6,3,lattice_maxNslip,Nphases),source=0.0_pReal)
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allocate(lattice_Qtwin(3,3,lattice_maxNtwin,Nphases),source=0.0_pReal)
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allocate(lattice_Qtwin(3,3,lattice_maxNtwin,Nphases),source=0.0_pReal)
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allocate(lattice_Stwin(3,3,lattice_maxNtwin,Nphases),source=0.0_pReal)
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allocate(lattice_Stwin_v(6,lattice_maxNtwin,Nphases),source=0.0_pReal)
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allocate(lattice_shearTwin(lattice_maxNtwin,Nphases),source=0.0_pReal)
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allocate(lattice_shearTwin(lattice_maxNtwin,Nphases),source=0.0_pReal)
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allocate(lattice_shearTrans(lattice_maxNtrans,Nphases),source=0.0_pReal)
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allocate(lattice_shearTrans(lattice_maxNtrans,Nphases),source=0.0_pReal)
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@ -1360,12 +1353,8 @@ subroutine lattice_init
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allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0_pInt)
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allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0_pInt)
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allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionSlipTrans(lattice_maxNslip,lattice_maxNtrans,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionSlipTrans(lattice_maxNslip,lattice_maxNtrans,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionTransSlip(lattice_maxNtrans,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionTransSlip(lattice_maxNtrans,lattice_maxNslip,Nphases),source=0_pInt) ! other:me
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allocate(lattice_interactionTransTrans(lattice_maxNtrans,lattice_maxNtrans,Nphases),source=0_pInt) ! other:me
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allocate(CoverA(Nphases),source=0.0_pReal)
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allocate(CoverA(Nphases),source=0.0_pReal)
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allocate(CoverA_trans(Nphases),source=0.0_pReal)
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allocate(CoverA_trans(Nphases),source=0.0_pReal)
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@ -1694,12 +1683,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_fcc_NcleavageSystem
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lattice_NnonSchmid(myPhase) = lattice_fcc_NnonSchmid
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lattice_NnonSchmid(myPhase) = lattice_fcc_NnonSchmid
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lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_fcc_interactionSlipSlip
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lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_fcc_interactionSlipSlip
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lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_fcc_interactionSlipTwin
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lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myPhase) = lattice_fcc_interactionTwinSlip
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lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myPhase) = lattice_fcc_interactionTwinTwin
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lattice_interactionSlipTrans(1:myNslip,1:myNtrans,myPhase) = lattice_fccTohex_interactionSlipTrans
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lattice_interactionSlipTrans(1:myNslip,1:myNtrans,myPhase) = lattice_fccTohex_interactionSlipTrans
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lattice_interactionTransSlip(1:myNtrans,1:myNslip,myPhase) = lattice_fccTohex_interactionTransSlip
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lattice_interactionTransSlip(1:myNtrans,1:myNslip,myPhase) = lattice_fccTohex_interactionTransSlip
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lattice_interactionTransTrans(1:myNtrans,1:myNtrans,myPhase) = lattice_fccTohex_interactionTransTrans
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! bcc
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! bcc
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@ -1746,9 +1731,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_bcc_NcleavageSystem
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lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
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lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
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lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip
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lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_bcc_interactionSlipSlip
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lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_bcc_interactionSlipTwin
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lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myPhase) = lattice_bcc_interactionTwinSlip
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lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myPhase) = lattice_bcc_interactionTwinTwin
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!--------------------------------------------------------------------------------------------------
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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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! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
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@ -1803,9 +1785,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem
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lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_hex_NcleavageSystem
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lattice_NnonSchmid(myPhase) = lattice_hex_NnonSchmid
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lattice_NnonSchmid(myPhase) = lattice_hex_NnonSchmid
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lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_hex_interactionSlipSlip
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lattice_interactionSlipSlip(1:myNslip,1:myNslip,myPhase) = lattice_hex_interactionSlipSlip
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lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myPhase) = lattice_hex_interactionSlipTwin
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lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myPhase) = lattice_hex_interactionTwinSlip
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lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myPhase) = lattice_hex_interactionTwinTwin
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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! bct
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! bct
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@ -1882,17 +1861,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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call IO_error(0_pInt,myPhase,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
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call IO_error(0_pInt,myPhase,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
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enddo
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enddo
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do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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lattice_td(1:3,i,myPhase) = td(1:3,i)/norm2(td(1:3,i)) ! make unit vector
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lattice_tn(1:3,i,myPhase) = tn(1:3,i)/norm2(tn(1:3,i)) ! make unit vector
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lattice_tn(1:3,i,myPhase) = tn(1:3,i)/norm2(tn(1:3,i)) ! make unit vector
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lattice_tt(1:3,i,myPhase) = math_crossproduct(lattice_td(1:3,i,myPhase), &
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lattice_tn(1:3,i,myPhase))
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lattice_Stwin(1:3,1:3,i,myPhase) = math_tensorproduct33(lattice_td(1:3,i,myPhase), &
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lattice_tn(1:3,i,myPhase))
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lattice_Stwin_v(1:6,i,myPhase) = math_Mandel33to6(math_symmetric33(lattice_Stwin(1:3,1:3,i,myPhase)))
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lattice_Qtwin(1:3,1:3,i,myPhase) = math_axisAngleToR(tn(1:3,i),180.0_pReal*INRAD)
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lattice_Qtwin(1:3,1:3,i,myPhase) = math_axisAngleToR(tn(1:3,i),180.0_pReal*INRAD)
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lattice_shearTwin(i,myPhase) = ts(i)
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lattice_shearTwin(i,myPhase) = ts(i)
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if (abs(math_trace33(lattice_Stwin(1:3,1:3,i,myPhase))) > tol_math_check) &
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call IO_error(301_pInt,myPhase,ext_msg = 'dilatational twin Schmid matrix')
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enddo
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enddo
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do i = 1_pInt,myNtrans
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do i = 1_pInt,myNtrans
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lattice_Qtrans(1:3,1:3,i,myPhase) = Qtr(1:3,1:3,i)
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lattice_Qtrans(1:3,1:3,i,myPhase) = Qtr(1:3,1:3,i)
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