From 5114e0b43e8f35d82ad764658fef9c8b3b50b8f9 Mon Sep 17 00:00:00 2001 From: Su Leen Wong Date: Mon, 22 Jun 2015 08:10:20 +0000 Subject: [PATCH] Cleaning up --- code/lattice.f90 | 34 +++++++++++++++++++--------------- 1 file changed, 19 insertions(+), 15 deletions(-) diff --git a/code/lattice.f90 b/code/lattice.f90 index fb7f739fd..6f38c8bd5 100644 --- a/code/lattice.f90 +++ b/code/lattice.f90 @@ -89,13 +89,13 @@ module lattice LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< total # 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) !< total # of cleavage systems per family for fcc integer(pInt), parameter, private :: & 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 = 12_pInt, & !< total # of transformations for fcc + LATTICE_fcc_Ntrans = 12_pInt, & !< total # of transformations for fcc LATTICE_fcc_Ncleavage = 7_pInt !< total # of cleavage systems for fcc real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: & @@ -1333,7 +1333,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc) use prec, only: & tol_math_check use math, only: & - math_identity2nd, & math_vectorproduct, & math_tensorproduct, & math_norm3, & @@ -1345,7 +1344,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc) math_Mandel3333to66, & math_Voigt66to3333, & math_axisAngleToR, & - INRAD + INRAD, & + MATH_I3 use IO, only: & IO_error, & IO_warning @@ -1370,9 +1370,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc) real(pReal), dimension(lattice_maxNtwin) :: & ts real(pReal), dimension(3,lattice_maxNtrans) :: & - xb, yb, zb + xtr, ytr, ztr real(pReal), dimension(3,3,lattice_maxNtrans) :: & - Rtr, Utr, Btr + Rtr, Utr, Btr, Qtr, Str real(pReal), dimension(3,lattice_maxNcleavage) :: & cd, cn, ct integer(pInt) :: & @@ -1444,17 +1444,21 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc) lattice_fcc_systemTrans(4,i)*INRAD) Btr(1:3,1:3,i) = math_axisAngleToR(lattice_fcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system lattice_fcc_bainRot(4,i)*INRAD) - - xb(1:3,i) = real(LATTICE_fcc_bainVariant(1:3,i),pReal) - yb(1:3,i) = real(LATTICE_fcc_bainVariant(4:6,i),pReal) - zb(1:3,i) = real(LATTICE_fcc_bainVariant(7:9,i),pReal) + xtr(1:3,i) = real(LATTICE_fcc_bainVariant(1:3,i),pReal) + ytr(1:3,i) = real(LATTICE_fcc_bainVariant(4:6,i),pReal) + ztr(1:3,i) = real(LATTICE_fcc_bainVariant(7:9,i),pReal) Utr(1:3,1:3,i) = 0.0_pReal ! Bain deformation if ((a_fcc > 0.0_pReal) .and. (a_bcc > 0.0_pReal)) then - Utr(1:3,1:3,i) = (a_bcc/a_fcc)*math_tensorproduct(xb(1:3,i), xb(1:3,i)) + & - sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(yb(1:3,i), yb(1:3,i)) + & - sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(zb(1:3,i), zb(1:3,i)) + Utr(1:3,1:3,i) = (a_bcc/a_fcc)*math_tensorproduct(xtr(1:3,i), xtr(1:3,i)) + & + sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(ytr(1:3,i), ytr(1:3,i)) + & + sqrt(2.0_pReal)*(a_bcc/a_fcc)*math_tensorproduct(ztr(1:3,i), ztr(1:3,i)) endif + Qtr(1:3,1:3,i) = math_mul33x33(Rtr(1:3,1:3,i), Btr(1:3,1:3,i)) + Str(1:3,1:3,i) = math_mul33x33(Rtr(1:3,1:3,i), Utr(1:3,1:3,i)) - MATH_I3 enddo + case default + Qtr = 0.0_pReal + Str = 0.0_pReal end select lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem @@ -1641,8 +1645,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc) call IO_error(301_pInt,myPhase,ext_msg = 'dilatational twin Schmid matrix') enddo do i = 1_pInt,myNtrans - lattice_Qtrans(1:3,1:3,i,myPhase) = math_mul33x33(Rtr(1:3,1:3,i), Btr(1:3,1:3,i)) - lattice_Strans(1:3,1:3,i,myPhase) = math_mul33x33(Rtr(1:3,1:3,i), Utr(1:3,1:3,i)) - math_identity2nd(3) + lattice_Qtrans(1:3,1:3,i,myPhase) = Qtr(1:3,1:3,i) + lattice_Strans(1:3,1:3,i,myPhase) = Str(1:3,1:3,i) lattice_Strans_v(1:6,i,myPhase) = math_Mandel33to6(math_symmetric33(lattice_Strans(1:3,1:3,i,myPhase))) enddo do i = 1_pInt,myNcleavage ! store slip system vectors and Schmid matrix for my structure