Merge branch 'development' into MiscImprovements
This commit is contained in:
Martin Diehl
commit
bfe8585903
|
|
@ -3,6 +3,7 @@
|
|||
*.xdmf
|
||||
*.bak
|
||||
*~
|
||||
.DS_Store
|
||||
bin
|
||||
PRIVATE
|
||||
build
|
||||
|
|
|
|||
1
Makefile
1
Makefile
|
|
@ -35,4 +35,3 @@ clean:
|
|||
.PHONY: processing
|
||||
processing:
|
||||
@./installation/symlink_Processing.py ${MAKEFLAGS}
|
||||
|
||||
|
|
|
|||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
|||
Subproject commit 4a8f3ccc2f9241b4afceece57ce71cae8025faa3
|
||||
Subproject commit 83cb0b6ceea2e26c554ad4c6fbe6aabaee6fa27f
|
||||
|
|
@ -103,9 +103,9 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
|
|||
# print summary of floating point exeptions (invalid,zero,overflow,underflow,inexact,denormal)
|
||||
|
||||
# Additional options
|
||||
# -Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
|
||||
# -Warray-temporarieswarnings: because we have many temporary arrays (performance issue?)
|
||||
# -Wimplicit-interface: no interfaces for lapack/MPI routines
|
||||
# -Wunsafe-loop-optimizations: warn if the loop cannot be optimized due to nontrivial assumptions.
|
||||
# -Wunsafe-loop-optimizations: warn if the loop cannot be optimized due to nontrivial assumptions
|
||||
|
||||
#------------------------------------------------------------------------------------------------
|
||||
# Runtime debugging
|
||||
|
|
@ -122,6 +122,7 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
|
|||
|
||||
# Additional options
|
||||
# -ffpe-trap=precision,denormal,underflow
|
||||
|
||||
#------------------------------------------------------------------------------------------------
|
||||
# precision settings
|
||||
set (PRECISION_FLAGS "${PRECISION_FLAGS} -fdefault-real-8")
|
||||
|
|
|
|||
|
|
@ -2,23 +2,51 @@
|
|||
# PGI Compiler
|
||||
###################################################################################################
|
||||
|
||||
if (OPENMP)
|
||||
set (OPENMP_FLAGS "-mp")
|
||||
else ()
|
||||
set (OPENMP_FLAGS "-nomp")
|
||||
endif ()
|
||||
|
||||
|
||||
if (OPTIMIZATION STREQUAL "OFF")
|
||||
set (OPTIMIZATION_FLAGS "-O0" )
|
||||
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
||||
set (OPTIMIZATION_FLAGS "-O2")
|
||||
set (OPTIMIZATION_FLAGS "-O2 -fast")
|
||||
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
||||
set (OPTIMIZATION_FLAGS "-O3")
|
||||
set (OPTIMIZATION_FLAGS "-O4 -fast -Mvect=sse")
|
||||
endif ()
|
||||
|
||||
set (STANDARD_CHECK "-Mallocatable=03 -Mstandard")
|
||||
|
||||
#------------------------------------------------------------------------------------------------
|
||||
# Fine tuning compilation options
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
|
||||
# preprocessor
|
||||
|
||||
set (STANDARD_CHECK "-Mallocatable=03")
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Minfo=all")
|
||||
# instructs the compiler to produce information on standard error
|
||||
|
||||
#------------------------------------------------------------------------------------------------
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Minform=warn")
|
||||
# instructs the compiler to display error messages at the specified and higher levels
|
||||
|
||||
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mdclchk")
|
||||
# instructs the compiler to require that all program variables be declared
|
||||
|
||||
#------------------------------------------------------------------------------------------------O
|
||||
# Runtime debugging
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
||||
# Includes debugging information in the object module; sets the optimization level to zero unless a -O option is present on the command line
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -C")
|
||||
# Generates code to check array bounds
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -Mchkptr")
|
||||
# Check for NULL pointers (pgf95, pgfortran only)
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -Mchkstk")
|
||||
# Check the stack for available space upon entry to and before the start of a parallel region. Useful when many private variables are declared
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -Mbounds")
|
||||
# Specifies whether array bounds checking is enabled or disabled
|
||||
|
||||
#------------------------------------------------------------------------------------------------
|
||||
# precision settings
|
||||
set (PRECISION_FLAGS "${PRECISION_FLAGS} -r8")
|
||||
# Determines whether the compiler promotes REAL variables and constants to DOUBLE PRECISION
|
||||
|
|
|
|||
|
|
@ -2,15 +2,14 @@
|
|||
# usage: source DAMASK_env.csh
|
||||
|
||||
set CALLED=($_)
|
||||
set DIRNAME=`dirname $CALLED[2]`
|
||||
set DAMASK_ROOT=`python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $DIRNAME"/../"`
|
||||
set ENV_ROOT=`dirname $CALLED[2]`
|
||||
set DAMASK_ROOT=`python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $ENV_ROOT"/../"`
|
||||
|
||||
source $DAMASK_ROOT/CONFIG
|
||||
source $ENV_ROOT/CONFIG
|
||||
|
||||
set path = ($DAMASK_ROOT/bin $path)
|
||||
|
||||
set SOLVER=`which DAMASK_spectral`
|
||||
set PROCESSING=`which postResults`
|
||||
if ( "x$DAMASK_NUM_THREADS" == "x" ) then
|
||||
set DAMASK_NUM_THREADS=1
|
||||
endif
|
||||
|
|
@ -32,7 +31,6 @@ if ( $?prompt ) then
|
|||
echo Using environment with ...
|
||||
echo "DAMASK $DAMASK_ROOT"
|
||||
echo "Grid Solver $SOLVER"
|
||||
echo "Post Processing $PROCESSING"
|
||||
if ( $?PETSC_DIR) then
|
||||
echo "PETSc location $PETSC_DIR"
|
||||
endif
|
||||
|
|
@ -52,3 +50,6 @@ if ( ! $?PYTHONPATH ) then
|
|||
else
|
||||
setenv PYTHONPATH $DAMASK_ROOT/python:$PYTHONPATH
|
||||
endif
|
||||
setenv MSC_ROOT
|
||||
setenv ABAQUS_VERSION
|
||||
setenv MARC_VERSION
|
||||
|
|
|
|||
|
|
@ -10,14 +10,14 @@ function blink {
|
|||
}
|
||||
|
||||
if [ "$OSTYPE" == "linux-gnu" ] || [ "$OSTYPE" == 'linux' ]; then
|
||||
DAMASK_ROOT=$(dirname $BASH_SOURCE)
|
||||
ENV_ROOT=$(dirname $BASH_SOURCE)
|
||||
else
|
||||
[[ "${BASH_SOURCE::1}" == "/" ]] && BASE="" || BASE="$(pwd)/"
|
||||
STAT=$(stat "$(dirname $BASE$BASH_SOURCE)")
|
||||
DAMASK_ROOT=${STAT##* }
|
||||
ENV_ROOT=${STAT##* }
|
||||
fi
|
||||
|
||||
DAMASK_ROOT=$(canonicalPath "$DAMASK_ROOT/../")
|
||||
DAMASK_ROOT=$(canonicalPath "$ENV_ROOT/../")
|
||||
|
||||
|
||||
# shorthand command to change to DAMASK_ROOT directory
|
||||
|
|
@ -27,7 +27,7 @@ eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
|||
set() {
|
||||
export $1$2$3
|
||||
}
|
||||
source $DAMASK_ROOT/CONFIG
|
||||
source $ENV_ROOT/CONFIG
|
||||
unset -f set
|
||||
|
||||
# add BRANCH if DAMASK_ROOT is a git repository
|
||||
|
|
@ -38,9 +38,6 @@ PATH=${DAMASK_ROOT}/bin:$PATH
|
|||
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
|
||||
[ "x$SOLVER" == "x" ] && SOLVER=$(blink 'Not found!')
|
||||
|
||||
PROCESSING=$(type -p postResults || true 2>/dev/null)
|
||||
[ "x$PROCESSING" == "x" ] && PROCESSING=$(blink 'Not found!')
|
||||
|
||||
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1
|
||||
|
||||
# currently, there is no information that unlimited stack size causes problems
|
||||
|
|
@ -60,7 +57,6 @@ if [ ! -z "$PS1" ]; then
|
|||
echo Using environment with ...
|
||||
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
||||
echo "Grid Solver $SOLVER"
|
||||
echo "Post Processing $PROCESSING"
|
||||
if [ "x$PETSC_DIR" != "x" ]; then
|
||||
echo -n "PETSc location "
|
||||
[ -d $PETSC_DIR ] && echo $PETSC_DIR || blink $PETSC_DIR
|
||||
|
|
@ -93,12 +89,8 @@ fi
|
|||
export DAMASK_NUM_THREADS
|
||||
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
||||
|
||||
for var in BASE STAT SOLVER PROCESSING BRANCH; do
|
||||
for var in BASE STAT SOLVER BRANCH; do
|
||||
unset "${var}"
|
||||
done
|
||||
for var in DAMASK MSC; do
|
||||
unset "${var}_ROOT"
|
||||
done
|
||||
for var in ABAQUS MARC; do
|
||||
unset "${var}_VERSION"
|
||||
done
|
||||
unset "ENV_ROOT"
|
||||
unset "DAMASK_ROOT"
|
||||
|
|
|
|||
|
|
@ -9,6 +9,7 @@ function blink {
|
|||
echo -e "\033[2;5m$1\033[0m"
|
||||
}
|
||||
|
||||
ENV_ROOT=$(canonicalPath "${0:a:h}")
|
||||
DAMASK_ROOT=$(canonicalPath "${0:a:h}'/..")
|
||||
|
||||
# shorthand command to change to DAMASK_ROOT directory
|
||||
|
|
@ -18,7 +19,7 @@ eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
|||
set() {
|
||||
export $1$2$3
|
||||
}
|
||||
source $DAMASK_ROOT/CONFIG
|
||||
source $ENV_ROOT/CONFIG
|
||||
unset -f set
|
||||
|
||||
# add BRANCH if DAMASK_ROOT is a git repository
|
||||
|
|
@ -29,9 +30,6 @@ PATH=${DAMASK_ROOT}/bin:$PATH
|
|||
SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
|
||||
[[ "x$SOLVER" == "x" ]] && SOLVER=$(blink 'Not found!')
|
||||
|
||||
PROCESSING=$(which postResults || true 2>/dev/null)
|
||||
[[ "x$PROCESSING" == "x" ]] && PROCESSING=$(blink 'Not found!')
|
||||
|
||||
[[ "x$DAMASK_NUM_THREADS" == "x" ]] && DAMASK_NUM_THREADS=1
|
||||
|
||||
# currently, there is no information that unlimited stack size causes problems
|
||||
|
|
@ -51,7 +49,6 @@ if [ ! -z "$PS1" ]; then
|
|||
echo "Using environment with ..."
|
||||
echo "DAMASK $DAMASK_ROOT $BRANCH"
|
||||
echo "Grid Solver $SOLVER"
|
||||
echo "Post Processing $PROCESSING"
|
||||
if [ "x$PETSC_DIR" != "x" ]; then
|
||||
echo -n "PETSc location "
|
||||
[ -d $PETSC_DIR ] && echo $PETSC_DIR || blink $PETSC_DIR
|
||||
|
|
@ -86,12 +83,8 @@ fi
|
|||
export DAMASK_NUM_THREADS
|
||||
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
||||
|
||||
for var in SOLVER PROCESSING BRANCH; do
|
||||
for var in SOLVER BRANCH; do
|
||||
unset "${var}"
|
||||
done
|
||||
for var in DAMASK MSC; do
|
||||
unset "${var}_ROOT"
|
||||
done
|
||||
for var in ABAQUS MARC; do
|
||||
unset "${var}_VERSION"
|
||||
done
|
||||
unset "ENV_ROOT"
|
||||
unset "DAMASK_ROOT"
|
||||
|
|
|
|||
|
|
@ -2,11 +2,6 @@
|
|||
|
||||
SCRIPTLOCATION="$( cd "$( dirname "$0" )" && pwd )"
|
||||
DAMASK_ROOT=$SCRIPTLOCATION/../../
|
||||
# defining set() allows to source the same file for tcsh and bash, with and without space around =
|
||||
set() {
|
||||
export $1$2$3
|
||||
}
|
||||
source $DAMASK_ROOT/CONFIG
|
||||
|
||||
if [ "x$MSC_ROOT" != "x" ]; then
|
||||
DEFAULT_DIR=$MSC_ROOT
|
||||
|
|
@ -15,7 +10,7 @@ if [ "x$MARC_VERSION" != "x" ]; then
|
|||
DEFAULT_VERSION=$MARC_VERSION
|
||||
fi
|
||||
if [ "x$DAMASK_BIN" != "x" ]; then
|
||||
BIN_DIR=$DAMASK_BIN
|
||||
BIN_DIR=$DAMASK_ROOT/bin
|
||||
fi
|
||||
|
||||
while [ ! -d "$SCRIPTLOCATION/$VERSION" ] || [ -z "$VERSION" ]
|
||||
|
|
|
|||
|
|
@ -1 +1,2 @@
|
|||
include damask/VERSION
|
||||
include damask/LICENSE
|
||||
|
|
|
|||
|
|
@ -0,0 +1,13 @@
|
|||
DAMASK - The Düsseldorf Advanced Material Simulation Kit
|
||||
Visit damask.mpie.de for installation and usage instructions
|
||||
|
||||
CONTACT INFORMATION
|
||||
|
||||
Max-Planck-Institut für Eisenforschung GmbH
|
||||
Max-Planck-Str. 1
|
||||
40237 Düsseldorf
|
||||
Germany
|
||||
|
||||
Email: DAMASK@mpie.de
|
||||
https://damask.mpie.de
|
||||
https://magit1.mpie.de
|
||||
|
|
@ -1 +0,0 @@
|
|||
../../README
|
||||
|
|
@ -1,20 +1,20 @@
|
|||
"""Main aggregator."""
|
||||
import os
|
||||
|
||||
with open(os.path.join(os.path.dirname(__file__),'VERSION')) as f:
|
||||
version = f.readline()[1:-1]
|
||||
import re
|
||||
|
||||
name = 'damask'
|
||||
with open(os.path.join(os.path.dirname(__file__),'VERSION')) as f:
|
||||
version = re.sub(r'^v','',f.readline().strip())
|
||||
|
||||
# classes
|
||||
from .environment import Environment # noqa
|
||||
from .asciitable import ASCIItable # noqa
|
||||
from .table import Table # noqa
|
||||
from .asciitable import ASCIItable # noqa
|
||||
|
||||
from .config import Material # noqa
|
||||
from .colormaps import Colormap, Color # noqa
|
||||
from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
|
||||
from .dadf5 import DADF5 # noqa
|
||||
from .dadf5 import DADF5 # noqa
|
||||
|
||||
from .geom import Geom # noqa
|
||||
from .solver import Solver # noqa
|
||||
|
|
@ -22,6 +22,10 @@ from .test import Test # noqa
|
|||
from .util import extendableOption # noqa
|
||||
|
||||
# functions in modules
|
||||
from . import mechanics # noqa
|
||||
from . import grid_filters # noqa
|
||||
from . import mechanics # noqa
|
||||
from . import grid_filters # noqa
|
||||
|
||||
# clean temporary variables
|
||||
del os
|
||||
del re
|
||||
del f
|
||||
|
|
|
|||
|
|
@ -1,27 +1,25 @@
|
|||
import os
|
||||
import re
|
||||
|
||||
class Environment():
|
||||
__slots__ = [ \
|
||||
'options',
|
||||
]
|
||||
__slots__ = [ \
|
||||
'options',
|
||||
]
|
||||
|
||||
def __init__(self):
|
||||
self.options = {}
|
||||
self.get_options()
|
||||
def __init__(self):
|
||||
"""Read and provide values of DAMASK configuration."""
|
||||
self.options = {}
|
||||
self.get_options()
|
||||
|
||||
def relPath(self,relative = '.'):
|
||||
return os.path.join(self.rootDir(),relative)
|
||||
def relPath(self,relative = '.'):
|
||||
return os.path.join(self.rootDir(),relative)
|
||||
|
||||
def rootDir(self):
|
||||
return os.path.normpath(os.path.join(os.path.realpath(__file__),'../../../'))
|
||||
def rootDir(self):
|
||||
return os.path.normpath(os.path.join(os.path.realpath(__file__),'../../../'))
|
||||
|
||||
def get_options(self):
|
||||
with open(self.relPath(self.rootDir()+'/CONFIG')) as configFile:
|
||||
for line in configFile:
|
||||
l = re.sub('^set ', '', line).strip() # remove "set" (tcsh) when setting variables
|
||||
if l and not l.startswith('#'):
|
||||
items = re.split(r'\s*=\s*',l)
|
||||
if len(items) == 2:
|
||||
self.options[items[0].upper()] = \
|
||||
re.sub('\$\{*DAMASK_ROOT\}*',self.rootDir(),os.path.expandvars(items[1])) # expand all shell variables and DAMASK_ROOT
|
||||
def get_options(self):
|
||||
for item in ['DAMASK_NUM_THREADS',
|
||||
'MSC_ROOT',
|
||||
'MARC_VERSION',
|
||||
'ABAQUS_VERSION',
|
||||
]:
|
||||
self.options[item] = os.environ[item] if item in os.environ else None
|
||||
|
|
|
|||
|
|
@ -1,743 +0,0 @@
|
|||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
# This tool converts a msc.marc result file into the vtk format that
|
||||
# can be viewed by Paraview software (Kitware), or MayaVi (needs xml-vtk, or ...
|
||||
#
|
||||
# About the vtk format: http://www.vtk.org/VTK/project/about.html
|
||||
# Some example vtk files: http://people.sc.fsu.edu/~jburkardt/data/vtk/vtk.html
|
||||
# www.paraview.org
|
||||
|
||||
import os,sys,re
|
||||
import numpy as np
|
||||
|
||||
import py_post # MSC closed source module to access marc result files
|
||||
|
||||
class MARC_POST():
|
||||
def __init__(self):
|
||||
self.projdir='./'
|
||||
|
||||
def opent16(self,incr=None):
|
||||
self.fpath=os.path.join(self.projdir,self.postname)
|
||||
print('Trying to open ',self.fpath,' ...')
|
||||
self.p=py_post.post_open(self.fpath)
|
||||
if self.p is None:
|
||||
print('Could not open %s.'%self.postname); #return 'err'#; sys.exit(1)
|
||||
raise Exception('Could not open t16')
|
||||
print('Postfile %s%s is open ...'%(self.projdir,self.postname))
|
||||
self.maxincr=self.p.increments()
|
||||
print('and has %i increments'%self.maxincr)
|
||||
if incr is None:
|
||||
self.p.moveto(self.maxincr-1)
|
||||
else:
|
||||
self.p.moveto(incr+1)
|
||||
print('moved to increment ', self.p.increment)
|
||||
self.p.extrapolation('translate') # linear, translate, average. query with p.extrapolate
|
||||
print('extrapolation method is ', self.p.extrapolate)
|
||||
print('collecting model information')
|
||||
self.t16info(printFlag=0)
|
||||
print('t16 is open')
|
||||
self.p
|
||||
|
||||
def t16info(self, printFlag=1
|
||||
):
|
||||
if not self.p:
|
||||
self.p=self.opent16()#post_open(self.postname)
|
||||
print(self.p)
|
||||
oldincr=self.p.position
|
||||
if oldincr==0:
|
||||
self.p.moveto(1)
|
||||
|
||||
self.nnodes=self.p.nodes() #self.p.node(self.nnodes) crashes; only to nnodes-1 possible
|
||||
self.nodes=range(0,self.nnodes)
|
||||
self.nscals=self.p.node_scalars(); #print 'nscals', nscals
|
||||
self.nscal_list=['']*self.nscals
|
||||
self.nel=self.p.elements()
|
||||
self.elscals=self.p.element_scalars()
|
||||
self.elscal_list=['']*self.elscals
|
||||
self.eltens=self.p.element_tensors()
|
||||
self.elten_list=['']*self.eltens
|
||||
for i in range(0,self.nscals):
|
||||
self.nscal_list[i]=self.p.node_scalar_label(i)
|
||||
for i in range (0,self.elscals):
|
||||
self.elscal_list[i]=self.p.element_scalar_label(i)
|
||||
if printFlag==1: print(i, self.elscal_list[i])
|
||||
for i in range (0,self.eltens):
|
||||
self.elten_list[i]=self.p.element_tensor_label(i)
|
||||
if printFlag==1: print(i, self.elten_list[i])
|
||||
for i in range(0,self.p.element_tensors()):
|
||||
if printFlag==1: print('Element Tensor: ', i, self.p.element_tensor_label(i))
|
||||
if printFlag==1: print('')
|
||||
for i in range(0,self.p.element_scalars()):
|
||||
if printFlag==1: print('Element Scalar: ', i, self.p.element_scalar_label(i))
|
||||
if oldincr==0:
|
||||
self.p.moveto(0)
|
||||
|
||||
def closet16(self):
|
||||
print('Trying to close FEM result file ...')
|
||||
try:
|
||||
if self.p:
|
||||
self.p.close()
|
||||
print('FEM result file closed.')
|
||||
self.p=None
|
||||
else:
|
||||
print('post object not open?')
|
||||
except:
|
||||
print('ERROR. Could not close FEM result file.')
|
||||
|
||||
def getLabelNr(self, label=None, type='Scalar'):
|
||||
if type[0]=='S' or type[0]=='s': # element scalar
|
||||
labelNr=self.elscal_list.index(label)
|
||||
elif type[0]=='N': # node scalar
|
||||
labelNr=self.nscal_list.index(label)
|
||||
elif type[0]=='T' or type[0]=='t': # tensor
|
||||
labelNr=self.elten_list.index(label)
|
||||
print('Found label %s at index %i'%(label,labelNr))
|
||||
return labelNr
|
||||
|
||||
|
||||
def writeNodes2VTK(self, fobj):
|
||||
self.points=[]
|
||||
self.VTKcnt=200 # number of values per line in vtk file
|
||||
fobj.write('POINTS %i'%self.p.nodes()+' float\n')
|
||||
self.nodes_dict={} # store the node IDs in case of holes in the numbering
|
||||
for iNd in self.nodes:
|
||||
nd=self.p.node(iNd)
|
||||
disp=self.p.node_displacement(iNd)
|
||||
nd_xyz=[nd.x+disp[0], nd.y+disp[1], nd.z+disp[2]]
|
||||
self.points.append(nd_xyz) # for pyvtk
|
||||
fobj.write('%f %f %f \n'%
|
||||
(nd.x+disp[0], nd.y+disp[1], nd.z+disp[2]))
|
||||
self.nodes_dict[nd.id-1]=iNd
|
||||
fobj.write('\n')
|
||||
print('Nodes written to VTK: %i'%self.p.nodes())
|
||||
|
||||
def writeElements2VTK(self, fobj):
|
||||
fobj.write('\nCELLS %i %i'%(self.p.elements(),self.p.elements()*9)+'\n')
|
||||
self.cells=[] #for pyvtk
|
||||
for iEl in range(0,self.nel):
|
||||
el=self.p.element(iEl)
|
||||
cell_nodes=[] # for pyvtk
|
||||
ndlist=el.items
|
||||
for k in [0, 1, 2, 3, 4, 5, 6, 7]: # FOR CELL TYPE VTK_HEXAHEDRON
|
||||
node=ndlist[k]-1
|
||||
cell_nodes.append(self.nodes_dict[node])
|
||||
self.cells.append(cell_nodes) # for pyvtk
|
||||
for e in self.cells:
|
||||
fobj.write('8 ')
|
||||
for n in e:
|
||||
fobj.write('%6i '%n)
|
||||
fobj.write('\n')
|
||||
fobj.write('\nCELL_TYPES %i'%self.p.elements()+'\n')
|
||||
cnt=0
|
||||
for iEl in range(0,self.nel):
|
||||
cnt=cnt+1
|
||||
#fobj.write('11\n') #VTK_VOXEL
|
||||
fobj.write('12 ') #VTK_HEXAHEDRON
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n');cnt=0
|
||||
fobj.write('\n')
|
||||
print('Elements written to VTK: %i'%self.p.elements())
|
||||
|
||||
def writeElScalars2NodesVTK(self,fobj):
|
||||
fobj.write('\nPOINT_DATA %i\n'%self.p.nodes())
|
||||
nScal=12
|
||||
nComponents=1+nScal
|
||||
fobj.write('SCALARS scalars float %i\n'%nComponents)
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
idxScal=self.nscal_list.index('Displacement Z')
|
||||
for iNd in self.nodes:
|
||||
fobj.write('%f '%(self.p.node_scalar(iNd,idxScal)))
|
||||
for iEl in range(0,self.nel):
|
||||
el=self.p.element(iEl)
|
||||
ndlist=el.items
|
||||
if (iNd+1) in ndlist:
|
||||
idx=ndlist.index(iNd+1)
|
||||
for iV in range(0,nScal):
|
||||
elData=self.p.element_scalar(iEl,35+iV)
|
||||
fobj.write('%f '%(elData[idx].value))
|
||||
break
|
||||
fobj.write('\n')
|
||||
fobj.write('\n')
|
||||
|
||||
def writeNodeScalars2VTK(self,fobj):
|
||||
fobj.write('\nPOINT_DATA %i\n'%self.p.nodes())
|
||||
self.pointDataScalars=[]
|
||||
for idxNdScal in range(-3,self.nscals): #now include node x,y,z
|
||||
if idxNdScal>=0:
|
||||
datalabel=self.nscal_list[idxNdScal]
|
||||
datalabel=re.sub("\s",'_',datalabel)
|
||||
else:
|
||||
if idxNdScal==-3: datalabel='node.x'
|
||||
if idxNdScal==-2: datalabel='node.y'
|
||||
if idxNdScal==-1: datalabel='node.z'
|
||||
fobj.write('SCALARS %s float %i\n'%(datalabel,1))#nComponents))
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
cnt=0
|
||||
for iNd in range(0,self.nnodes):
|
||||
cnt=cnt+1
|
||||
if idxNdScal>=0:
|
||||
ndData=self.p.node_scalar(iNd,idxNdScal)
|
||||
else:
|
||||
nd=self.p.node(iNd)
|
||||
if idxNdScal==-3: ndData=nd.x
|
||||
if idxNdScal==-2: ndData=nd.y
|
||||
if idxNdScal==-1: ndData=nd.z
|
||||
fobj.write('%E '%(ndData))
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n')
|
||||
cnt=0
|
||||
fobj.write('\n')
|
||||
fobj.write('\n')
|
||||
|
||||
def writeElementData2VTK(self,fobj):
|
||||
self.sig_vMises=[]
|
||||
self.sig33=[]
|
||||
idx_sig_vMises=self.getLabelNr('Equivalent Von Mises Stress')
|
||||
idx_sig33=self.getLabelNr('Comp 33 of Cauchy Stress')
|
||||
fobj.write('\nCELL_DATA %i\n'%self.p.elements())
|
||||
for idxElScal in range(0,self.elscals):
|
||||
datalabel=self.elscal_list[idxElScal]
|
||||
datalabel=re.sub("\s",'_',datalabel)
|
||||
fobj.write('\n\nSCALARS %s float %i\n'%(datalabel,1))
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
cnt=0
|
||||
for iEl in range(0,self.nel):
|
||||
cnt=cnt+1
|
||||
elData=self.p.element_scalar(iEl,idxElScal)
|
||||
avgScal=0.0
|
||||
if datalabel in ['phi1', 'PHI','phi2']: # Euler angles should not be averaged
|
||||
avgScal=avgScal+elData[0].value
|
||||
else:
|
||||
for IP in range(0,8):
|
||||
avgScal=avgScal+elData[IP].value
|
||||
avgScal=avgScal/8.
|
||||
fobj.write('%E '%(avgScal))
|
||||
if idxElScal==idx_sig_vMises:
|
||||
self.sig_vMises.append(avgScal)
|
||||
elif idxElScal==idx_sig33:
|
||||
self.sig33.append(avgScal)
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n')
|
||||
cnt=0
|
||||
fobj.write('\n')
|
||||
|
||||
def get_avg_el_scal(self,idxElScal):
|
||||
result=[]
|
||||
datalabel=self.elscal_list[idxElScal]
|
||||
print('Collecting %s from all elements'%datalabel)
|
||||
for iEl in range(0,self.nel):
|
||||
elData=self.p.element_scalar(iEl,idxElScal)
|
||||
avgScal=0.0
|
||||
for IP in range(0,8):
|
||||
avgScal=avgScal+elData[IP].value
|
||||
avgScal=avgScal/8.
|
||||
result.append(avgScal)
|
||||
return result
|
||||
|
||||
def writeUniaxiality2VTK(self,fobj):
|
||||
datalabel='uniaxiality_sig_vMises_durch_sig33'
|
||||
fobj.write('SCALARS %s float %i\n'%(datalabel,1))
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
cnt=0
|
||||
for iEl in range(0,self.nel):
|
||||
cnt=cnt+1
|
||||
if abs(self.sig_vMises[iEl])<1e-5:
|
||||
datum=0.
|
||||
else:
|
||||
datum=self.sig33[iEl]/self.sig_vMises[iEl]
|
||||
fobj.write('%E '%(datum))
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n')
|
||||
cnt=0
|
||||
fobj.write('\n')
|
||||
|
||||
def stress_per_element(self):
|
||||
self.stress=[]
|
||||
for iEl in range(0,self.nel):
|
||||
sig=self.avg_elten(2,elID=iEl)
|
||||
self.stress.append(sig[0])
|
||||
|
||||
def mean_stress_per_element(self):
|
||||
self.mean_stress=[]
|
||||
for iEl in range(0,self.nel):
|
||||
sig=self.stress[iEl]
|
||||
self.mean_stress.append(self.meanStress(sig))
|
||||
|
||||
def triaxiality_per_element(self):
|
||||
# classical triaxiality
|
||||
# 1/3 : uniax tension
|
||||
self.triaxiality=[]
|
||||
for iEl in range(0,self.nel):
|
||||
t=self.mean_stress[iEl]/self.sig_vMises[iEl]
|
||||
self.triaxiality.append(t)
|
||||
|
||||
def moreElData2VTK(self,fobj,data=[],label='datalabel'):
|
||||
fobj.write('SCALARS %s float %i\n'%(label,1))
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
cnt=0
|
||||
for iEl in range(0,self.nel):
|
||||
cnt=cnt+1
|
||||
fobj.write('%E '%(data[iEl]))
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n')
|
||||
cnt=0
|
||||
fobj.write('\n')
|
||||
|
||||
def calc_lode_parameter(self):
|
||||
self.lode=[]
|
||||
try:
|
||||
self.stress
|
||||
except:
|
||||
self.stress_per_element()
|
||||
for iEl in range(0,self.nel):
|
||||
sig=self.stress[iEl]
|
||||
lode=self.stress2lode(sig)
|
||||
self.lode.append(lode)
|
||||
|
||||
def stress2lode(self,stress):
|
||||
[pStress,pAxes]=self.princStress(stress)
|
||||
s1=pStress[0]
|
||||
s2=pStress[1]
|
||||
s3=pStress[2]
|
||||
lode=(2*s2-s1-s3) / ( s1 - s3 )
|
||||
return lode
|
||||
|
||||
def princStress(self, stress):
|
||||
"""
|
||||
Function to compute 3D principal stresses and sort them.
|
||||
|
||||
from: http://geodynamics.org/svn/cig/short/3D/PyLith/trunk/playpen/postproc/vtkcff.py
|
||||
"""
|
||||
stressMat=np.array(stress)
|
||||
(princStress, princAxes) = np.linalg.eigh(stressMat)
|
||||
idx = princStress.argsort()
|
||||
princStressOrdered = princStress[idx]
|
||||
princAxesOrdered = princAxes[:,idx]
|
||||
return princStressOrdered, princAxesOrdered
|
||||
|
||||
def avg_elten(self,
|
||||
idxElTen, mat=0, elID=None):
|
||||
tensum=np.zeros((3,3));
|
||||
T=np.zeros((3,3));
|
||||
pts=0;
|
||||
avg=np.zeros((3,3));
|
||||
|
||||
if elID is None:
|
||||
averaged_elements=range(0,self.nel)
|
||||
else:
|
||||
averaged_elements=[elID]
|
||||
for i in averaged_elements:
|
||||
if mat==0 or int(self.p.element_scalar(i,4)[0].value)==mat:
|
||||
T=self.p.element_tensor(i,idxElTen)
|
||||
for k in range (0,8):
|
||||
tensum[0][0] = tensum[0][0] + T[k].t11
|
||||
tensum[0][1] = tensum[0][1] + T[k].t12
|
||||
tensum[0][2] = tensum[0][2] + T[k].t13
|
||||
tensum[1][1] = tensum[1][1] + T[k].t22
|
||||
tensum[1][2] = tensum[1][2] + T[k].t23
|
||||
tensum[2][2] = tensum[2][2] + T[k].t33
|
||||
pts=pts+1
|
||||
avg=tensum/pts
|
||||
avg=self.fillComponents(avg)
|
||||
del [T]
|
||||
return (avg,tensum,pts)
|
||||
|
||||
def fillComponents(self,
|
||||
halftensor
|
||||
):
|
||||
halftensor[1][0]=halftensor[0][1]
|
||||
halftensor[2][0]=halftensor[0][2]
|
||||
halftensor[2][1]=halftensor[1][2]
|
||||
return halftensor
|
||||
|
||||
def vMises(self,tensor33):
|
||||
t=tensor33
|
||||
s=(t[0,0]-t[1,1])**2+(t[1,1]-t[2,2])**2+(t[0,0]-t[2,2])**2+\
|
||||
6*(t[0,1]**2+t[1,2]**2+t[2,0]**2)
|
||||
vM=np.sqrt(s/2.)
|
||||
return vM
|
||||
|
||||
def meanStress(self,tensor33):
|
||||
t=tensor33
|
||||
s=t[0,0]+t[1,1]+t[2,2]
|
||||
ms=s/3.
|
||||
return ms
|
||||
|
||||
def invariants(self,tensor33):
|
||||
t=tensor33
|
||||
I1=t[0,0]+t[1,1]+t[2,2]
|
||||
I2=t[0,0]*t[1,1]+t[1,1]*t[2,2]+t[0,0]*t[2,2]-\
|
||||
t[0,1]**2-t[1,2]**2-t[0,2]**2
|
||||
I3=t[0,0]*t[1,1]*t[2,2]+\
|
||||
2*t[0,1]*t[1,2]*t[2,0]-\
|
||||
t[2,2]*t[0,1]**2-t[0,0]*t[1,2]**2-t[1,1]*t[0,2]**2
|
||||
return [ I1, I2, I3 ]
|
||||
|
||||
|
||||
class VTK_WRITER():
|
||||
"""
|
||||
The resulting vtk-file can be imported in Paraview 3.12
|
||||
|
||||
Then use Filters: Cell Data to Point Data + Contour
|
||||
to plot semi-transparent iso-surfaces.
|
||||
"""
|
||||
|
||||
def __init__(self):
|
||||
self.p=MARC_POST() # self.p
|
||||
|
||||
def openFile(self, filename='test.vtp'):
|
||||
self.f=open(filename,'w+')
|
||||
self.fname=filename
|
||||
|
||||
def writeFirstLines(self,
|
||||
vtkFile=None,
|
||||
version='2.0',
|
||||
comment='Test',
|
||||
dformat='ASCII', # BINARY | [ASCII]
|
||||
dtype='UNSTRUCTURED_GRID' # UNSTRUCTURED GRID
|
||||
):
|
||||
if vtkFile is None:
|
||||
vtkFile=self.f
|
||||
# First Line contains Data format version
|
||||
self.versionVTK=version
|
||||
vtkFile.write('# vtk DataFile Version %s\n'%self.versionVTK)
|
||||
# Comment goes to 2nd line and has maximum 256 chars
|
||||
vtkFile.write(comment+'\n')
|
||||
vtkFile.write(dformat+'\n')
|
||||
vtkFile.write('DATASET '+dtype+'\n')
|
||||
|
||||
|
||||
def marc2vtkBatch(self):
|
||||
for iori in range(1,63):
|
||||
self.p.postname='indent_fric0.3_R2.70_cA146.0_h0.320_ori%03i_OST_h19d.t16'%(iori)
|
||||
if os.path.exists(self.p.postname):
|
||||
self.marc2vtk(mode='fast', batchMode=1)
|
||||
|
||||
def marc2vtk(self, label=None, mode='fast',
|
||||
batchMode=0,
|
||||
incRange=None,
|
||||
incStepMult=1.):
|
||||
if batchMode==0:
|
||||
try:
|
||||
self.p
|
||||
except:
|
||||
self.p=MARC_POST()
|
||||
### ---- CHANGE dir/job/model to process here
|
||||
os.chdir('M:/nicu');
|
||||
jobname='ori001'
|
||||
self.p.postname='indent_fric0.3_R0.25_cA90.0_h0.010_4320els_'+jobname+'.t16'
|
||||
### ----
|
||||
|
||||
self.p.opent16()
|
||||
self.p.t16info()
|
||||
|
||||
incMax=self.p.p.increments();
|
||||
if incRange is None:
|
||||
incStep=5
|
||||
incRange=range(0,incMax+1,incStep)
|
||||
self.vtkPath=os.getcwd()+'/vtk_%s/'%self.p.postname
|
||||
if not os.path.exists(self.vtkPath):
|
||||
os.mkdir(self.vtkPath)
|
||||
for inc in incRange:
|
||||
print('Increment: %i'%inc)
|
||||
self.p.p.moveto(inc)
|
||||
t=self.p.p.time
|
||||
sys.stdout.write('inc:%i, time:%.3f\n'%(self.p.p.increment,t))
|
||||
self.incStr='inc%03i'%(inc*incStepMult)
|
||||
self.openFile(filename=self.vtkPath+self.p.postname[0:-4]+'_'+
|
||||
self.incStr+'.vtk')
|
||||
self.writeFirstLines(comment=self.p.postname,
|
||||
dtype='UNSTRUCTURED_GRID')
|
||||
self.p.writeNodes2VTK(fobj=self.f)
|
||||
self.p.writeElements2VTK(fobj=self.f)
|
||||
self.p.writeNodeScalars2VTK(fobj=self.f)
|
||||
self.p.writeElementData2VTK(fobj=self.f)
|
||||
# insert generation and writing of derived post values
|
||||
# *here*
|
||||
|
||||
self.f.close()
|
||||
print('Increment (self.p.p.increment): %i'%self.p.p.increment)
|
||||
print('Data written.')
|
||||
print(self.p.postname+' ready.')
|
||||
|
||||
|
||||
def scaleBar(self, length=1.0, posXYZ=[0., 0., 0.]):
|
||||
self.fsb=open('micronbar_l%.1f.vtp'%length,'w+')
|
||||
self.writeFirstLines(self.fsb, comment='micronbar')
|
||||
pts=np.array([])
|
||||
width=length*1.
|
||||
height=length*1.
|
||||
wVec=np.array([0., width, 0.])
|
||||
lVec=np.array([length,0.,0.])
|
||||
hVec=np.array([0.,0.,height])
|
||||
posXYZ=posXYZ-0.5*wVec-0.5*lVec#-0.5*hVec # CENTERING Y/N
|
||||
posXYZ=np.array(posXYZ)
|
||||
pts=[posXYZ, posXYZ+lVec,
|
||||
posXYZ+wVec,
|
||||
posXYZ+wVec+lVec]
|
||||
pts.extend([pts[0]+hVec,pts[1]+hVec,pts[2]+hVec,pts[3]+hVec])
|
||||
print(len(pts), pts)
|
||||
self.fsb.write('POINTS %i float\n'%len(pts))
|
||||
for npts in range(0,len(pts)):
|
||||
self.fsb.write('%f %f %f\n'%(pts[npts][0], pts[npts][1], pts[npts][2]))
|
||||
if 1: #Triad
|
||||
nCells=3
|
||||
ptsPerCell=2 # Lines (Type=3)
|
||||
cellSize=(ptsPerCell+1)*nCells
|
||||
self.fsb.write('CELLS %i %i\n'%(nCells,cellSize))
|
||||
self.fsb.write('2 0 1\n') #X-Line
|
||||
self.fsb.write('2 0 2\n') #Y-Line
|
||||
self.fsb.write('2 0 4\n') #Z-Line
|
||||
self.fsb.write('CELL_TYPES %i\n'%(nCells))
|
||||
self.fsb.write('3\n3\n3\n')#Line
|
||||
else: # Cube, change posXYZ
|
||||
nCells=1
|
||||
ptsPerCell=2 # Lines (Type=3)
|
||||
cellSize=(ptsPerCell+1)*nCells
|
||||
self.fsb.write('CELLS %i %i\n'%(nCells,cellSize))
|
||||
self.fsb.write('2 0 1\n') #Line
|
||||
self.fsb.write('CELL_TYPES %i\n'%(nCells))
|
||||
self.fsb.write('3\n')#Line
|
||||
|
||||
self.fsb.write('\n')
|
||||
self.fsb.close()
|
||||
print(self.fsb)
|
||||
|
||||
def example_unstructured(self):
|
||||
self.openFile(filename='example_unstructured_grid.vtk')
|
||||
self.f.write("""
|
||||
# vtk DataFile Version 2.0
|
||||
example_unstruct_grid
|
||||
ASCII
|
||||
|
||||
POINTS 12 float
|
||||
0 0 0
|
||||
1 0 0
|
||||
1 1 0
|
||||
0 1 0
|
||||
0 0 1
|
||||
1 0 1
|
||||
1 1 1
|
||||
0 1 1
|
||||
0 0 1.9
|
||||
1 0 1.9
|
||||
1 1 1.9
|
||||
0 1 1.9
|
||||
|
||||
|
||||
CELLS 2 18
|
||||
8 0 1 2 3 4 5 6 7
|
||||
8 4 5 6
|
||||
7 8 9 10 11
|
||||
|
||||
CELL_TYPES 2
|
||||
12
|
||||
12
|
||||
|
||||
POINT_DATA 12
|
||||
SCALARS nodex float 1
|
||||
LOOKUP_TABLE default
|
||||
2.34E+12
|
||||
2.00
|
||||
0.00
|
||||
1.62
|
||||
5.03
|
||||
1.02
|
||||
1.50
|
||||
0.00
|
||||
3 5 6 23423423423423423423.23423423""")
|
||||
self.f.close()
|
||||
|
||||
|
||||
|
||||
def writeNodes2VTK(self, fobj):
|
||||
self.VTKcnt=200 # how many numbers per line in vtk file
|
||||
fobj.write('POINTS %i'%self.p.nodes()+' float\n')
|
||||
for iNd in self.nodes:
|
||||
nd=self.p.node(iNd)
|
||||
disp=self.p.node_displacement(iNd)
|
||||
fobj.write('%f %f %f \n'%
|
||||
(nd.x+disp[0], nd.y+disp[1], nd.z+disp[2]))
|
||||
fobj.write('\n')
|
||||
print('Nodes written to VTK: %i'%self.p.nodes())
|
||||
|
||||
def writeElements2VTK(self, fobj):
|
||||
fobj.write('\nCELLS %i %i'%(self.p.elements(),self.p.elements()*9)+'\n')
|
||||
for iEl in range(0,self.nel):
|
||||
el=self.p.element(iEl)
|
||||
fobj.write('8 ')
|
||||
ndlist=el.items
|
||||
for k in [0, 1, 2, 3, 4, 5, 6, 7]: # FOR CELL TYPE VTK_HEXAHEDRON
|
||||
fobj.write('%6i '%(ndlist[k]-1))
|
||||
fobj.write('\n')
|
||||
fobj.write('\nCELL_TYPES %i'%self.p.elements()+'\n')
|
||||
cnt=0
|
||||
for iEl in range(0,self.nel):
|
||||
cnt=cnt+1
|
||||
fobj.write('12 ') #VTK_HEXAHEDRON
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n');cnt=0
|
||||
fobj.write('\n')
|
||||
print('Elements written to VTK: %i'%self.p.elements())
|
||||
|
||||
def writeElScalars2NodesVTK(self,fobj):
|
||||
fobj.write('\nPOINT_DATA %i\n'%self.p.nodes())
|
||||
nScal=12
|
||||
nComponents=1+nScal
|
||||
fobj.write('SCALARS scalars float %i\n'%nComponents)
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
idxScal=self.nscal_list.index('Displacement Z')
|
||||
for iNd in self.nodes:
|
||||
fobj.write('%f '%(self.p.node_scalar(iNd,idxScal)))
|
||||
for iEl in range(0,self.nel):
|
||||
el=self.p.element(iEl)
|
||||
ndlist=el.items
|
||||
if (iNd+1) in ndlist:
|
||||
idx=ndlist.index(iNd+1)
|
||||
for iV in range(0,nScal):
|
||||
elData=self.p.element_scalar(iEl,35+iV)
|
||||
fobj.write('%f '%(elData[idx].value))
|
||||
break
|
||||
fobj.write('\n')
|
||||
fobj.write('\n')
|
||||
|
||||
def writeNodeScalars2VTK(self,fobj):
|
||||
fobj.write('\nPOINT_DATA %i\n'%self.p.nodes())
|
||||
for idxNdScal in range(-3,self.nscals): # include node x,y,z
|
||||
if idxNdScal>=0:
|
||||
datalabel=self.nscal_list[idxNdScal]
|
||||
datalabel=re.sub("\s",'_',datalabel)
|
||||
else:
|
||||
if idxNdScal==-3: datalabel='node.x'
|
||||
if idxNdScal==-2: datalabel='node.y'
|
||||
if idxNdScal==-1: datalabel='node.z'
|
||||
fobj.write('SCALARS %s float %i\n'%(datalabel,1))#nComponents))
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
cnt=0
|
||||
for iNd in range(0,self.nnodes):
|
||||
cnt=cnt+1
|
||||
if idxNdScal>=0:
|
||||
ndData=self.p.node_scalar(iNd,idxNdScal)
|
||||
else:
|
||||
nd=self.p.node(iNd)
|
||||
if idxNdScal==-3: ndData=nd.x
|
||||
if idxNdScal==-2: ndData=nd.y
|
||||
if idxNdScal==-1: ndData=nd.z
|
||||
fobj.write('%E '%(ndData))
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n')
|
||||
cnt=0
|
||||
fobj.write('\n')
|
||||
fobj.write('\n')
|
||||
|
||||
def writeElementData2VTK(self,fobj):
|
||||
fobj.write('\nCELL_DATA %i\n'%self.p.elements())
|
||||
for idxElScal in range(0,self.elscals):
|
||||
datalabel=self.elscal_list[idxElScal]
|
||||
datalabel=re.sub("\s",'_',datalabel)
|
||||
fobj.write('\n\nSCALARS %s float %i\n'%(datalabel,1))#nComponents))
|
||||
fobj.write('LOOKUP_TABLE default\n')
|
||||
cnt=0
|
||||
for iEl in range(0,self.nel):
|
||||
cnt=cnt+1
|
||||
elData=self.p.element_scalar(iEl,idxElScal)
|
||||
avgScal=0.0
|
||||
if datalabel in ['phi1', 'PHI','phi2']:
|
||||
avgScal=avgScal+elData[0].value
|
||||
else:
|
||||
for IP in range(0,8):
|
||||
avgScal=avgScal+elData[IP].value
|
||||
avgScal=avgScal/8.
|
||||
fobj.write('%E '%(avgScal))
|
||||
if cnt>self.VTKcnt:
|
||||
fobj.write('\n')
|
||||
cnt=0
|
||||
fobj.write('\n')
|
||||
|
||||
|
||||
def example1(self):
|
||||
self.openFile()
|
||||
self.writeFirstLines()
|
||||
self.f.write("""DATASET POLYDATA
|
||||
POINTS 8 float
|
||||
0.0 0.0 0.0
|
||||
1.0 0.0 0.0
|
||||
1.0 1.0 0.0
|
||||
0.0 1.0 0.0
|
||||
0.0 0.0 1.0
|
||||
1.0 0.0 1.0
|
||||
1.0 1.0 1.0
|
||||
0.0 1.0 1.0
|
||||
POLYGONS 6 30
|
||||
4 0 1 2 3
|
||||
4 4 5 6 7
|
||||
4 0 1 5 4
|
||||
4 2 3 7 6
|
||||
4 0 4 7 3
|
||||
4 1 2 6 5
|
||||
|
||||
CELL_DATA 6
|
||||
SCALARS cell_scalars int 1
|
||||
LOOKUP_TABLE default
|
||||
0
|
||||
1
|
||||
2
|
||||
3
|
||||
4
|
||||
5
|
||||
NORMALS cell_normals float
|
||||
0 0 -1
|
||||
0 0 1
|
||||
0 -1 0
|
||||
0 1 0
|
||||
-1 0 0
|
||||
1 0 0
|
||||
FIELD FieldData 2
|
||||
cellIds 1 6 int
|
||||
0 1 2 3 4 5
|
||||
faceAttributes 2 6 float
|
||||
0.0 1.0 1.0 2.0 2.0 3.0 3.0 4.0 4.0 5.0 5.0 6.0
|
||||
|
||||
POINT_DATA 8
|
||||
SCALARS sample_scalars float 1
|
||||
LOOKUP_TABLE my_table
|
||||
0.0
|
||||
1.0
|
||||
2.0
|
||||
3.0
|
||||
4.0
|
||||
5.0
|
||||
6.0
|
||||
7.0
|
||||
LOOKUP_TABLE my_table 8
|
||||
0.0 0.0 0.0 1.0
|
||||
1.0 0.0 0.0 1.0
|
||||
0.0 1.0 0.0 1.0
|
||||
1.0 1.0 0.0 1.0
|
||||
0.0 0.0 1.0 1.0
|
||||
1.0 0.0 1.0 1.0
|
||||
0.0 1.0 1.0 1.0
|
||||
1.0 1.0 1.0 1.0""")
|
||||
self.f.close()
|
||||
|
||||
|
||||
import pyvtk
|
||||
class marc_to_vtk():
|
||||
"""
|
||||
Anybody wants to implement it with pyvtk?
|
||||
|
||||
The advantage would be that pyvtk can also wirte the
|
||||
<xml>-VTK format and binary.
|
||||
These can be plotted with mayavi.
|
||||
"""
|
||||
|
||||
def __init__(self):
|
||||
self.p=[]#MARC_POST() # self.p
|
||||
|
||||
def run(self):
|
||||
vtk = pyvtk.VtkData(\
|
||||
pyvtk.UnstructuredGrid(self.p.points,
|
||||
hexahedron=self.p.cells),
|
||||
'm2v output')
|
||||
vtk.tofile('m2v_file')
|
||||
|
||||
|
|
@ -5,30 +5,32 @@ import damask
|
|||
|
||||
|
||||
class Abaqus(Solver):
|
||||
"""Wrapper to run DAMASK with Abaqus."""
|
||||
"""Wrapper to run DAMASK with Abaqus."""
|
||||
|
||||
def __init__(self,version=int(damask.Environment().options['ABAQUS_VERSION'])):
|
||||
"""
|
||||
Create a Abaqus solver object.
|
||||
def __init__(self,version=damask.Environment().options['ABAQUS_VERSION']):
|
||||
"""
|
||||
Create a Abaqus solver object.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
version : integer
|
||||
Abaqus version
|
||||
Parameters
|
||||
----------
|
||||
version : integer
|
||||
Abaqus version
|
||||
|
||||
"""
|
||||
self.solver ='Abaqus'
|
||||
self.version = int(version)
|
||||
"""
|
||||
self.solver = 'Abaqus'
|
||||
try:
|
||||
self.version = int(version)
|
||||
except TypeError:
|
||||
self.version = -1
|
||||
|
||||
def return_run_command(self,model):
|
||||
env=damask.Environment()
|
||||
try:
|
||||
cmd='abq'+self.version
|
||||
subprocess.check_output([cmd,'information=release'])
|
||||
except OSError: # link to abqXXX not existing
|
||||
cmd='abaqus'
|
||||
process = subprocess.Popen(['abaqus','information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
|
||||
detectedVersion = int(process.stdout.readlines()[1].split()[1].decode('utf-8'))
|
||||
if self.version != detectedVersion:
|
||||
raise Exception('found Abaqus version {}, but requested {}'.format(detectedVersion,self.version))
|
||||
return '{} -job {} -user {}/src/DAMASK_abaqus interactive'.format(cmd,model,env.rootDir())
|
||||
def return_run_command(self,model):
|
||||
try:
|
||||
cmd = 'abq{}'.format(self.version)
|
||||
subprocess.check_output([cmd,'information=release'])
|
||||
except OSError: # link to abqXXX not existing
|
||||
cmd = 'abaqus'
|
||||
process = subprocess.Popen([cmd,'information=release'],stdout = subprocess.PIPE,stderr = subprocess.PIPE)
|
||||
detectedVersion = int(process.stdout.readlines()[1].split()[1].decode('utf-8'))
|
||||
if self.version not in [detectedVersion,-1]:
|
||||
raise Exception('found Abaqus version {}, but requested {}'.format(detectedVersion,self.version))
|
||||
return '{} -job {} -user {}/src/DAMASK_abaqus interactive'.format(cmd,model,damask.Environment().rootDir())
|
||||
|
|
|
|||
|
|
@ -1,89 +1,91 @@
|
|||
import os
|
||||
import subprocess
|
||||
import shlex
|
||||
import string
|
||||
|
||||
from .solver import Solver
|
||||
import damask
|
||||
|
||||
class Marc(Solver):
|
||||
"""Wrapper to run DAMASK with MSCMarc."""
|
||||
"""Wrapper to run DAMASK with MSCMarc."""
|
||||
|
||||
def __init__(self,version=damask.Environment().options['MARC_VERSION']):
|
||||
"""
|
||||
Create a Marc solver object.
|
||||
def __init__(self,version=damask.Environment().options['MARC_VERSION']):
|
||||
"""
|
||||
Create a Marc solver object.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
version : float
|
||||
Marc version
|
||||
Parameters
|
||||
----------
|
||||
version : float
|
||||
Marc version
|
||||
|
||||
"""
|
||||
self.solver ='Marc'
|
||||
self.version = damask.environment.Environment().options['MARC_VERSION']
|
||||
"""
|
||||
self.solver = 'Marc'
|
||||
try:
|
||||
self.version = int(version)
|
||||
except TypeError:
|
||||
self.version = -1
|
||||
|
||||
|
||||
#--------------------------
|
||||
def libraryPath(self):
|
||||
def libraryPath(self):
|
||||
|
||||
path_MSC = damask.environment.Environment().options['MSC_ROOT']
|
||||
path_lib = '{}/mentat{}/shlib/linux64'.format(path_MSC,self.version)
|
||||
path_MSC = damask.Environment().options['MSC_ROOT']
|
||||
path_lib = '{}/mentat{}/shlib/linux64'.format(path_MSC,self.version)
|
||||
|
||||
return path_lib if os.path.exists(path_lib) else ''
|
||||
return path_lib if os.path.exists(path_lib) else ''
|
||||
|
||||
|
||||
#--------------------------
|
||||
def toolsPath(self):
|
||||
def toolsPath(self):
|
||||
|
||||
path_MSC = damask.environment.Environment().options['MSC_ROOT']
|
||||
path_tools = '{}/marc{}/tools'.format(path_MSC,self.version)
|
||||
path_MSC = damask.Environment().options['MSC_ROOT']
|
||||
path_tools = '{}/marc{}/tools'.format(path_MSC,self.version)
|
||||
|
||||
return path_tools if os.path.exists(path_tools) else ''
|
||||
return path_tools if os.path.exists(path_tools) else ''
|
||||
|
||||
|
||||
#--------------------------
|
||||
def submit_job(self,
|
||||
model,
|
||||
job = 'job1',
|
||||
logfile = False,
|
||||
compile = False,
|
||||
optimization ='',
|
||||
):
|
||||
def submit_job(self,
|
||||
model,
|
||||
job = 'job1',
|
||||
logfile = False,
|
||||
compile = False,
|
||||
optimization = '',
|
||||
):
|
||||
|
||||
|
||||
damaskEnv = damask.environment.Environment()
|
||||
damaskEnv = damask.Environment()
|
||||
|
||||
user = os.path.join(damaskEnv.relPath('src'),'DAMASK_marc{}.{}'.format(self.version,'f90' if compile else 'marc'))
|
||||
if not os.path.isfile(user):
|
||||
raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),user))
|
||||
user = os.path.join(damaskEnv.relPath('src'),'DAMASK_marc{}.{}'.format(self.version,'f90' if compile else 'marc'))
|
||||
if not os.path.isfile(user):
|
||||
raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),user))
|
||||
|
||||
# Define options [see Marc Installation and Operation Guide, pp 23]
|
||||
script = 'run_damask_{}mp'.format(optimization)
|
||||
# Define options [see Marc Installation and Operation Guide, pp 23]
|
||||
script = 'run_damask_{}mp'.format(optimization)
|
||||
|
||||
cmd = os.path.join(self.toolsPath(),script) + \
|
||||
' -jid ' + model + '_' + job + \
|
||||
' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no'
|
||||
cmd = os.path.join(self.toolsPath(),script) + \
|
||||
' -jid ' + model + '_' + job + \
|
||||
' -nprocd 1 -autorst 0 -ci n -cr n -dcoup 0 -b no -v no'
|
||||
|
||||
if compile: cmd += ' -u ' + user + ' -save y'
|
||||
else: cmd += ' -prog ' + os.path.splitext(user)[0]
|
||||
if compile: cmd += ' -u ' + user + ' -save y'
|
||||
else: cmd += ' -prog ' + os.path.splitext(user)[0]
|
||||
|
||||
print('job submission with{} compilation: {}'.format('' if compile else 'out',user))
|
||||
if logfile: log = open(logfile, 'w')
|
||||
print(cmd)
|
||||
process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)
|
||||
log.close()
|
||||
process.wait()
|
||||
print('job submission {} compilation: {}'.format('with' if compile else 'without',user))
|
||||
if logfile: log = open(logfile, 'w')
|
||||
print(cmd)
|
||||
process = subprocess.Popen(shlex.split(cmd),stdout = log,stderr = subprocess.STDOUT)
|
||||
log.close()
|
||||
process.wait()
|
||||
|
||||
#--------------------------
|
||||
def exit_number_from_outFile(self,outFile=None):
|
||||
import string
|
||||
exitnumber = -1
|
||||
fid_out = open(outFile,'r')
|
||||
for line in fid_out:
|
||||
if (string.find(line,'tress iteration') != -1):
|
||||
print(line)
|
||||
elif (string.find(line,'Exit number') != -1):
|
||||
substr = line[string.find(line,'Exit number'):len(line)]
|
||||
exitnumber = int(substr[12:16])
|
||||
def exit_number_from_outFile(self,outFile=None):
|
||||
exitnumber = -1
|
||||
with open(outFile,'r') as fid_out:
|
||||
for line in fid_out:
|
||||
if (string.find(line,'tress iteration') != -1):
|
||||
print(line)
|
||||
elif (string.find(line,'Exit number') != -1):
|
||||
substr = line[string.find(line,'Exit number'):len(line)]
|
||||
exitnumber = int(substr[12:16])
|
||||
|
||||
fid_out.close()
|
||||
return exitnumber
|
||||
return exitnumber
|
||||
|
|
|
|||
|
|
@ -1,8 +1,9 @@
|
|||
import setuptools
|
||||
import os
|
||||
import re
|
||||
|
||||
with open(os.path.join(os.path.dirname(__file__),'damask/VERSION')) as f:
|
||||
version = f.readline()[1:-1]
|
||||
version = re.sub(r'(-([^-]*)).*$',r'.\2',re.sub(r'^v(\d+\.\d+(\.\d+)?)',r'\1',f.readline().strip()))
|
||||
|
||||
setuptools.setup(
|
||||
name="damask",
|
||||
|
|
@ -18,12 +19,13 @@ setuptools.setup(
|
|||
"pandas",
|
||||
"scipy",
|
||||
"h5py",
|
||||
"vtk"
|
||||
"vtk",
|
||||
],
|
||||
license = 'GPL3',
|
||||
classifiers = [
|
||||
"Intended Audience :: Science/Research",
|
||||
"Topic :: Scientific/Engineering",
|
||||
"Programming Language :: Python :: 3",
|
||||
"License :: OSI Approved :: GPL3",
|
||||
"License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
|
||||
"Operating System :: OS Independent",
|
||||
],
|
||||
)
|
||||
|
|
|
|||
|
|
@ -2,8 +2,6 @@ import os
|
|||
|
||||
import pytest
|
||||
|
||||
import damask
|
||||
|
||||
def pytest_addoption(parser):
|
||||
parser.addoption("--update",
|
||||
action="store_true",
|
||||
|
|
@ -17,5 +15,4 @@ def update(request):
|
|||
@pytest.fixture
|
||||
def reference_dir_base():
|
||||
"""Directory containing reference results."""
|
||||
env = damask.Environment()
|
||||
return os.path.join(env.rootDir(),'python','tests','reference')
|
||||
return os.path.join(os.path.dirname(__file__),'reference')
|
||||
|
|
|
|||
|
|
@ -433,10 +433,10 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
|
|||
E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
|
||||
S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
|
||||
|
||||
forall (i=1:3, j=1:3)
|
||||
do i =1, 3;do j=1,3
|
||||
dS_dFe(i,j,1:3,1:3) = matmul(Fe,matmul(matmul(Fi,C(i,j,1:3,1:3)),transpose(Fi))) !< dS_ij/dFe_kl = C_ijmn * Fi_lm * Fi_on * Fe_ko
|
||||
dS_dFi(i,j,1:3,1:3) = 2.0_pReal*matmul(matmul(E,Fi),C(i,j,1:3,1:3)) !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
|
||||
end forall
|
||||
enddo; enddo
|
||||
|
||||
end subroutine constitutive_hooke_SandItsTangents
|
||||
|
||||
|
|
|
|||
|
|
@ -43,10 +43,17 @@ module lattice
|
|||
LATTICE_FCC_NCLEAVAGESYSTEM = [3, 4] !< # of cleavage systems per family for fcc
|
||||
|
||||
integer, parameter :: &
|
||||
#ifndef __PGI
|
||||
LATTICE_FCC_NSLIP = sum(LATTICE_FCC_NSLIPSYSTEM), & !< total # of slip systems for fcc
|
||||
LATTICE_FCC_NTWIN = sum(LATTICE_FCC_NTWINSYSTEM), & !< total # of twin systems for fcc
|
||||
LATTICE_FCC_NTRANS = sum(LATTICE_FCC_NTRANSSYSTEM), & !< total # of transformation systems for fcc
|
||||
LATTICE_FCC_NCLEAVAGE = sum(LATTICE_FCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for fcc
|
||||
#else
|
||||
LATTICE_FCC_NSLIP = 18, &
|
||||
LATTICE_FCC_NTWIN = 12, &
|
||||
LATTICE_FCC_NTRANS = 12, &
|
||||
LATTICE_FCC_NCLEAVAGE = 7
|
||||
#endif
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_FCC_NSLIP), parameter :: &
|
||||
LATTICE_FCC_SYSTEMSLIP = reshape(real([&
|
||||
|
|
@ -128,9 +135,15 @@ module lattice
|
|||
LATTICE_BCC_NCLEAVAGESYSTEM = [3, 6] !< # of cleavage systems per family for bcc
|
||||
|
||||
integer, parameter :: &
|
||||
#ifndef __PGI
|
||||
LATTICE_BCC_NSLIP = sum(LATTICE_BCC_NSLIPSYSTEM), & !< total # of slip systems for bcc
|
||||
LATTICE_BCC_NTWIN = sum(LATTICE_BCC_NTWINSYSTEM), & !< total # of twin systems for bcc
|
||||
LATTICE_BCC_NCLEAVAGE = sum(LATTICE_BCC_NCLEAVAGESYSTEM) !< total # of cleavage systems for bcc
|
||||
#else
|
||||
LATTICE_BCC_NSLIP = 24, &
|
||||
LATTICE_BCC_NTWIN = 12, &
|
||||
LATTICE_BCC_NCLEAVAGE = 9
|
||||
#endif
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_BCC_NSLIP), parameter :: &
|
||||
LATTICE_BCC_SYSTEMSLIP = reshape(real([&
|
||||
|
|
@ -206,9 +219,15 @@ module lattice
|
|||
LATTICE_HEX_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for hex
|
||||
|
||||
integer, parameter :: &
|
||||
#ifndef __PGI
|
||||
LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSYSTEM), & !< total # of slip systems for hex
|
||||
LATTICE_HEX_NTWIN = sum(LATTICE_HEX_NTWINSYSTEM), & !< total # of twin systems for hex
|
||||
LATTICE_HEX_NCLEAVAGE = sum(LATTICE_HEX_NCLEAVAGESYSTEM) !< total # of cleavage systems for hex
|
||||
#else
|
||||
LATTICE_HEX_NSLIP = 33, &
|
||||
LATTICE_HEX_NTWIN = 24, &
|
||||
LATTICE_HEX_NCLEAVAGE = 3
|
||||
#endif
|
||||
|
||||
real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter :: &
|
||||
LATTICE_HEX_SYSTEMSLIP = reshape(real([&
|
||||
|
|
@ -301,7 +320,11 @@ module lattice
|
|||
LATTICE_BCT_NSLIPSYSTEM = [2, 2, 2, 4, 2, 4, 2, 2, 4, 8, 4, 8, 8 ] !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
|
||||
|
||||
integer, parameter :: &
|
||||
#ifndef __PGI
|
||||
LATTICE_BCT_NSLIP = sum(LATTICE_BCT_NSLIPSYSTEM) !< total # of slip systems for bct
|
||||
#else
|
||||
LATTICE_BCT_NSLIP = 52
|
||||
#endif
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_BCT_NSLIP), parameter :: &
|
||||
LATTICE_BCT_SYSTEMSLIP = reshape(real([&
|
||||
|
|
@ -379,7 +402,11 @@ module lattice
|
|||
LATTICE_ISO_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for iso
|
||||
|
||||
integer, parameter :: &
|
||||
#ifndef __PGI
|
||||
LATTICE_ISO_NCLEAVAGE = sum(LATTICE_ISO_NCLEAVAGESYSTEM) !< total # of cleavage systems for iso
|
||||
#else
|
||||
LATTICE_ISO_NCLEAVAGE = 3
|
||||
#endif
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_ISO_NCLEAVAGE), parameter :: &
|
||||
LATTICE_ISO_SYSTEMCLEAVAGE= reshape(real([&
|
||||
|
|
@ -396,7 +423,11 @@ module lattice
|
|||
LATTICE_ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho
|
||||
|
||||
integer, parameter :: &
|
||||
#ifndef __PGI
|
||||
LATTICE_ORT_NCLEAVAGE = sum(LATTICE_ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho
|
||||
#else
|
||||
LATTICE_ORT_NCLEAVAGE = 3
|
||||
#endif
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_ORT_NCLEAVAGE), parameter :: &
|
||||
LATTICE_ORT_SYSTEMCLEAVAGE = reshape(real([&
|
||||
|
|
|
|||
|
|
@ -610,7 +610,7 @@ function om2ax(om) result(ax)
|
|||
else
|
||||
call dgeev('N','V',3,om_,3,Wr,Wi,devNull,3,VR,3,work,size(work,1),ierr)
|
||||
if (ierr /= 0) call IO_error(0,ext_msg='Error in om2ax: DGEEV return not zero')
|
||||
#if defined(__GFORTRAN__) && __GNUC__<9 || defined(__INTEL_COMPILER) && INTEL_COMPILER<1800
|
||||
#if defined(__GFORTRAN__) && __GNUC__<9 || defined(__INTEL_COMPILER) && INTEL_COMPILER<1800 || defined(__PGI)
|
||||
i = maxloc(merge(1,0,cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal)),dim=1)
|
||||
#else
|
||||
i = findloc(cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal),.true.,dim=1) !find eigenvalue (1,0)
|
||||
|
|
@ -1266,38 +1266,49 @@ subroutine unitTest
|
|||
sin(2.0_pReal*PI*x(1))*A]
|
||||
if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
|
||||
endif
|
||||
|
||||
#ifndef __PGI
|
||||
if(dNeq0(norm2(om2qu(qu2om(qu))-qu),1.0e-12_pReal)) msg = trim(msg)//'om2qu/qu2om,'
|
||||
if(dNeq0(norm2(eu2qu(qu2eu(qu))-qu),1.0e-12_pReal)) msg = trim(msg)//'eu2qu/qu2eu,'
|
||||
if(dNeq0(norm2(ax2qu(qu2ax(qu))-qu),1.0e-12_pReal)) msg = trim(msg)//'ax2qu/qu2ax,'
|
||||
if(dNeq0(norm2(ro2qu(qu2ro(qu))-qu),1.0e-12_pReal)) msg = trim(msg)//'ro2qu/qu2ro,'
|
||||
if(dNeq0(norm2(ho2qu(qu2ho(qu))-qu),1.0e-7_pReal)) msg = trim(msg)//'ho2qu/qu2ho,'
|
||||
if(dNeq0(norm2(cu2qu(qu2cu(qu))-qu),1.0e-7_pReal)) msg = trim(msg)//'cu2qu/qu2cu,'
|
||||
#endif
|
||||
|
||||
om = qu2om(qu)
|
||||
#ifndef __PGI
|
||||
if(dNeq0(norm2(om2qu(eu2om(om2eu(om)))-qu),1.0e-7_pReal)) msg = trim(msg)//'eu2om/om2eu,'
|
||||
if(dNeq0(norm2(om2qu(ax2om(om2ax(om)))-qu),1.0e-7_pReal)) msg = trim(msg)//'ax2om/om2ax,'
|
||||
if(dNeq0(norm2(om2qu(ro2om(om2ro(om)))-qu),1.0e-12_pReal)) msg = trim(msg)//'ro2om/om2ro,'
|
||||
if(dNeq0(norm2(om2qu(ho2om(om2ho(om)))-qu),1.0e-7_pReal)) msg = trim(msg)//'ho2om/om2ho,'
|
||||
if(dNeq0(norm2(om2qu(cu2om(om2cu(om)))-qu),1.0e-7_pReal)) msg = trim(msg)//'cu2om/om2cu,'
|
||||
#endif
|
||||
|
||||
eu = qu2eu(qu)
|
||||
#ifndef __PGI
|
||||
if(dNeq0(norm2(eu2qu(ax2eu(eu2ax(eu)))-qu),1.0e-12_pReal)) msg = trim(msg)//'ax2eu/eu2ax,'
|
||||
if(dNeq0(norm2(eu2qu(ro2eu(eu2ro(eu)))-qu),1.0e-12_pReal)) msg = trim(msg)//'ro2eu/eu2ro,'
|
||||
if(dNeq0(norm2(eu2qu(ho2eu(eu2ho(eu)))-qu),1.0e-7_pReal)) msg = trim(msg)//'ho2eu/eu2ho,'
|
||||
if(dNeq0(norm2(eu2qu(cu2eu(eu2cu(eu)))-qu),1.0e-7_pReal)) msg = trim(msg)//'cu2eu/eu2cu,'
|
||||
#endif
|
||||
|
||||
ax = qu2ax(qu)
|
||||
#ifndef __PGI
|
||||
if(dNeq0(norm2(ax2qu(ro2ax(ax2ro(ax)))-qu),1.0e-12_pReal)) msg = trim(msg)//'ro2ax/ax2ro,'
|
||||
if(dNeq0(norm2(ax2qu(ho2ax(ax2ho(ax)))-qu),1.0e-7_pReal)) msg = trim(msg)//'ho2ax/ax2ho,'
|
||||
if(dNeq0(norm2(ax2qu(cu2ax(ax2cu(ax)))-qu),1.0e-7_pReal)) msg = trim(msg)//'cu2ax/ax2cu,'
|
||||
#endif
|
||||
|
||||
ro = qu2ro(qu)
|
||||
#ifndef __PGI
|
||||
if(dNeq0(norm2(ro2qu(ho2ro(ro2ho(ro)))-qu),1.0e-7_pReal)) msg = trim(msg)//'ho2ro/ro2ho,'
|
||||
if(dNeq0(norm2(ro2qu(cu2ro(ro2cu(ro)))-qu),1.0e-7_pReal)) msg = trim(msg)//'cu2ro/ro2cu,'
|
||||
#endif
|
||||
|
||||
ho = qu2ho(qu)
|
||||
#ifndef __PGI
|
||||
if(dNeq0(norm2(ho2qu(cu2ho(ho2cu(ho)))-qu),1.0e-7_pReal)) msg = trim(msg)//'cu2ho/ho2cu,'
|
||||
#endif
|
||||
|
||||
call R%fromMatrix(om)
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue