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DAMASK_EICMD
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Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 

Conflicts:
	code/math.f90
This commit is contained in:
Martin Diehl 2016-02-03 09:15:15 +01:00
parent 34b21cb278 08150564cf
commit ebe7707ac7
6 changed files with 32 additions and 13 deletions
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12
code/DAMASK_abaqus_exp.f
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@ -35,14 +35,24 @@ contains
!> @brief just reporting
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
integer, dimension(8) :: &
dateAndTime ! type default integer
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_abaqus_exp -+>>>'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90"
end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief using Abaqus/Explicit function to get working directory name
!--------------------------------------------------------------------------------------------------

11
code/DAMASK_abaqus_std.f
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@ -35,8 +35,17 @@ contains
!> @brief just reporting
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
integer, dimension(8) :: &
dateAndTime ! type default integer
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90"

7
code/math.f90
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@ -2094,10 +2094,9 @@ pure function math_invariantsSym33(m)
real(pReal), dimension(3) :: math_invariantsSym33
math_invariantsSym33(1) = math_trace33(m)
math_invariantsSym33(2) = math_invariantsSym33(1)**2.0_pReal/2.0_pReal- (M(1,1)**2.0_pReal+M(2,2)**2.0_pReal+M(3,3)**2.0_pReal)&
/2.0_pReal-M(1,2)*M(2,1)-M(1,3)*M(3,1)-M(2,3)*M(3,2)
math_invariantsSym33(3) = math_det33(m)
math_invariantsSym33(2) = m(1,1)*m(2,2) + m(1,1)*m(3,3) + m(2,2)*m(3,3) &
-(m(1,2)**2 + m(1,3)**2 + m(2,3)**2)
math_invariantsSym33(3) = math_detSym33(m)
end function math_invariantsSym33

4
installation/mods_Abaqus/abaqus_v6.env
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@ -12,6 +12,7 @@
# Compile_cpp and link_exe for Abaqus make utility.
#
import os, re, glob, driverUtils
from damask import version as DAMASKVERSION
# Use the version in $PATH
fortCmd = "ifort"
@ -34,7 +35,8 @@ compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
"-I%I -I../lib -free -O1 -fpp -openmp " +
"-ftz -diag-disable 5268 " +
"-implicitnone -assume byterecl -stand f08 -standard-semantics " +
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4")
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
'-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION)
# Abaqus/CAE will generate an input file without parts and assemblies.
cae_no_parts_input_file=ON

7
installation/mods_Abaqus/abaqus_v6_serial.env
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@ -12,6 +12,7 @@
# Compile_cpp and link_exe for Abaqus make utility.
#
import os, re, glob, driverUtils
from damask import version as DAMASKVERSION
# Use the version in $PATH
fortCmd = "ifort"
@ -29,15 +30,13 @@ fortCmd = "ifort"
# -assume byterecl count record length in bytes
# -real-size 64 -DFLOAT=8 assume size of real to be 8 bytes, matches our definition of pReal
# -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt
# -L/usr/lib64 -L/usr/lib search path for lapack libraries
# -Wl,-rpath=/usr/lib64,-rpath=/usr/lib run path for lapack libraries
# -llapack link against lapack
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
"-I%I -I../lib -free -O1 -fpp " +
"-ftz -diag-disable 5268 " +
"-implicitnone -assume byterecl -stand f08 -standard-semantics " +
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4")
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
'-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION)
# Abaqus/CAE will generate an input file without parts and assemblies.
cae_no_parts_input_file=ON

2
lib/damask/util.py
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@ -180,7 +180,6 @@ other codes refers to the source code of minpack.py:
'''
from numpy import (array, arcsin, asarray, cos, dot, eye, empty_like,
isscalar,finfo, take, triu, transpose, sqrt, sin)
from scipy.optimize import _minpack
def _check_func(checker, argname, thefunc, x0, args, numinputs,
output_shape=None):
@ -279,6 +278,7 @@ def _ext2intLocal(bound):
def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0,
col_deriv=0, ftol=1.49012e-8, xtol=1.49012e-8,
gtol=0.0, maxfev=0, epsfcn=None, factor=100, diag=None):
from scipy.optimize import _minpack
'''
An internal parameter list is used to enforce contraints on the fitting
parameters. The transfomation is based on that of MINUIT package.