From f8e50cc304207d2cbbb9d960ec3021c3d6fe5f75 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 26 Apr 2016 09:35:42 +0200 Subject: [PATCH] fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0) --- code/lattice.f90 | 106 ++++++++++++++++++++++++++++++++--------------- 1 file changed, 73 insertions(+), 33 deletions(-) diff --git a/code/lattice.f90 b/code/lattice.f90 index 580368457..bf1f53658 100644 --- a/code/lattice.f90 +++ b/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 @@ -80,18 +74,18 @@ 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 = 12_pInt, & !sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc @@ -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, & @@ -363,18 +357,18 @@ 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 = 24_pInt, & !sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc @@ -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 @@ -568,10 +562,10 @@ 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 = 33_pInt, & !sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex @@ -842,18 +836,18 @@ 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 = 52_pInt, & !sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct @@ -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')