Merge branch 'development' into HDF5-spectral-displacements
This commit is contained in:
commit
de912c22b4
|
@ -75,7 +75,7 @@ variables:
|
||||||
MSC: "$MSC2019"
|
MSC: "$MSC2019"
|
||||||
IntelMarc: "$IntelCompiler17_8"
|
IntelMarc: "$IntelCompiler17_8"
|
||||||
IntelAbaqus: "$IntelCompiler16_4"
|
IntelAbaqus: "$IntelCompiler16_4"
|
||||||
HDF5Marc: "HDF5/1.10.4/Intel-17.8"
|
HDF5Marc: "HDF5/1.10.5/Intel-17.8"
|
||||||
# ++++++++++++ Documentation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
# ++++++++++++ Documentation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||||
Doxygen1_8_15: "Documentation/Doxygen/1.8.15"
|
Doxygen1_8_15: "Documentation/Doxygen/1.8.15"
|
||||||
# ------------ Defaults ----------------------------------------------
|
# ------------ Defaults ----------------------------------------------
|
||||||
|
|
2
PRIVATE
2
PRIVATE
|
@ -1 +1 @@
|
||||||
Subproject commit cdf79281330b2cf6e11426685b1d0c999efc24cf
|
Subproject commit 214c69be8b51adb39eb7ad25b139727c8b98afce
|
|
@ -63,6 +63,7 @@ else
|
||||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||||
fi
|
fi
|
||||||
|
|
||||||
|
FCOMP=ifort
|
||||||
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
||||||
|
|
||||||
# find the root directory of the compiler installation:
|
# find the root directory of the compiler installation:
|
||||||
|
@ -103,9 +104,6 @@ if test "$DAMASK_HDF5" = "ON";then
|
||||||
H5FC="$(h5fc -shlib -show)"
|
H5FC="$(h5fc -shlib -show)"
|
||||||
HDF5_LIB=${H5FC//ifort/}
|
HDF5_LIB=${H5FC//ifort/}
|
||||||
FCOMP="$H5FC -DDAMASK_HDF5"
|
FCOMP="$H5FC -DDAMASK_HDF5"
|
||||||
echo $FCOMP
|
|
||||||
else
|
|
||||||
FCOMP=ifort
|
|
||||||
fi
|
fi
|
||||||
|
|
||||||
# AEM
|
# AEM
|
||||||
|
@ -531,7 +529,7 @@ else
|
||||||
FORT_OPT=" $FORT_OPT -save -zero"
|
FORT_OPT=" $FORT_OPT -save -zero"
|
||||||
fi
|
fi
|
||||||
if test "$MARCHDF" = "HDF"; then
|
if test "$MARCHDF" = "HDF"; then
|
||||||
FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF $HDF_INCLUDE"
|
FORT_OPT="$FORT_OPT -DMARCHDF=$MARCHDF"
|
||||||
fi
|
fi
|
||||||
|
|
||||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
@ -757,7 +755,7 @@ SECLIBS="-L$MARC_LIB -llapi"
|
||||||
|
|
||||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a $HDF_LIBS $HDF_LIB"
|
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a $HDF5_LIB"
|
||||||
|
|
||||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||||
if test "$AEM_DLL" -eq 1
|
if test "$AEM_DLL" -eq 1
|
||||||
|
|
|
@ -3,6 +3,7 @@
|
||||||
import os
|
import os
|
||||||
import argparse
|
import argparse
|
||||||
|
|
||||||
|
import h5py
|
||||||
import numpy as np
|
import numpy as np
|
||||||
import vtk
|
import vtk
|
||||||
from vtk.util import numpy_support
|
from vtk.util import numpy_support
|
||||||
|
@ -40,21 +41,30 @@ if options.con is None: options.con=[]
|
||||||
for filename in options.filenames:
|
for filename in options.filenames:
|
||||||
results = damask.DADF5(filename)
|
results = damask.DADF5(filename)
|
||||||
|
|
||||||
if results.structured: # for grid solvers use rectilinear grid
|
if results.structured: # for grid solvers use rectilinear grid
|
||||||
rGrid = vtk.vtkRectilinearGrid()
|
grid = vtk.vtkRectilineagrid()
|
||||||
coordArray = [vtk.vtkDoubleArray(),
|
coordArray = [vtk.vtkDoubleArray(),
|
||||||
vtk.vtkDoubleArray(),
|
vtk.vtkDoubleArray(),
|
||||||
vtk.vtkDoubleArray(),
|
vtk.vtkDoubleArray(),
|
||||||
]
|
]
|
||||||
|
|
||||||
rGrid.SetDimensions(*(results.grid+1))
|
grid.SetDimensions(*(results.grid+1))
|
||||||
for dim in [0,1,2]:
|
for dim in [0,1,2]:
|
||||||
for c in np.linspace(0,results.size[dim],1+results.grid[dim]):
|
for c in np.linspace(0,results.size[dim],1+results.grid[dim]):
|
||||||
coordArray[dim].InsertNextValue(c)
|
coordArray[dim].InsertNextValue(c)
|
||||||
|
|
||||||
rGrid.SetXCoordinates(coordArray[0])
|
grid.SetXCoordinates(coordArray[0])
|
||||||
rGrid.SetYCoordinates(coordArray[1])
|
grid.SetYCoordinates(coordArray[1])
|
||||||
rGrid.SetZCoordinates(coordArray[2])
|
grid.SetZCoordinates(coordArray[2])
|
||||||
|
else:
|
||||||
|
nodes = vtk.vtkPoints()
|
||||||
|
with h5py.File(filename) as f:
|
||||||
|
nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True))
|
||||||
|
grid = vtk.vtkUnstructuredGrid()
|
||||||
|
grid.SetPoints(nodes)
|
||||||
|
grid.Allocate(f['/geometry/T_c'].shape[0])
|
||||||
|
for i in f['/geometry/T_c']:
|
||||||
|
grid.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1)
|
||||||
|
|
||||||
|
|
||||||
for i,inc in enumerate(results.iter_visible('increments')):
|
for i,inc in enumerate(results.iter_visible('increments')):
|
||||||
|
@ -75,7 +85,7 @@ for filename in options.filenames:
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
rGrid.GetCellData().AddArray(vtk_data[-1])
|
grid.GetCellData().AddArray(vtk_data[-1])
|
||||||
else:
|
else:
|
||||||
x = results.get_dataset_location(label)
|
x = results.get_dataset_location(label)
|
||||||
if len(x) == 0:
|
if len(x) == 0:
|
||||||
|
@ -84,7 +94,7 @@ for filename in options.filenames:
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
rGrid.GetCellData().AddArray(vtk_data[-1])
|
grid.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
|
||||||
results.set_visible('constituents', False)
|
results.set_visible('constituents', False)
|
||||||
results.set_visible('materialpoints',True)
|
results.set_visible('materialpoints',True)
|
||||||
|
@ -99,7 +109,7 @@ for filename in options.filenames:
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
rGrid.GetCellData().AddArray(vtk_data[-1])
|
grid.GetCellData().AddArray(vtk_data[-1])
|
||||||
else:
|
else:
|
||||||
x = results.get_dataset_location(label)
|
x = results.get_dataset_location(label)
|
||||||
if len(x) == 0:
|
if len(x) == 0:
|
||||||
|
@ -108,10 +118,10 @@ for filename in options.filenames:
|
||||||
shape = [array.shape[0],np.product(array.shape[1:])]
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
rGrid.GetCellData().AddArray(vtk_data[-1])
|
grid.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
|
||||||
if results.structured:
|
writer = vtk.vtkXMLRectilineagridWriter() if results.structured else \
|
||||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
vtk.vtkXMLUnstructuredGridWriter()
|
||||||
|
|
||||||
results.set_visible('constituents', False)
|
results.set_visible('constituents', False)
|
||||||
results.set_visible('materialpoints',False)
|
results.set_visible('materialpoints',False)
|
||||||
|
@ -128,7 +138,6 @@ for filename in options.filenames:
|
||||||
writer.SetCompressorTypeToZLib()
|
writer.SetCompressorTypeToZLib()
|
||||||
writer.SetDataModeToBinary()
|
writer.SetDataModeToBinary()
|
||||||
writer.SetFileName(os.path.join(dirname,file_out))
|
writer.SetFileName(os.path.join(dirname,file_out))
|
||||||
if results.structured:
|
writer.SetInputData(grid)
|
||||||
writer.SetInputData(rGrid)
|
|
||||||
|
|
||||||
writer.Write()
|
writer.Write()
|
||||||
|
|
|
@ -0,0 +1,121 @@
|
||||||
|
#!/usr/bin/env python3
|
||||||
|
|
||||||
|
import os
|
||||||
|
import argparse
|
||||||
|
|
||||||
|
import numpy as np
|
||||||
|
import vtk
|
||||||
|
from vtk.util import numpy_support
|
||||||
|
|
||||||
|
import damask
|
||||||
|
|
||||||
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
# MAIN
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
parser = argparse.ArgumentParser()
|
||||||
|
|
||||||
|
#ToDo: We need to decide on a way of handling arguments of variable lentght
|
||||||
|
#https://stackoverflow.com/questions/15459997/passing-integer-lists-to-python
|
||||||
|
|
||||||
|
#parser.add_argument('--version', action='version', version='%(prog)s {}'.format(scriptID))
|
||||||
|
parser.add_argument('filenames', nargs='+',
|
||||||
|
help='DADF5 files')
|
||||||
|
parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
|
||||||
|
help='name of subdirectory relative to the location of the DADF5 file to hold output')
|
||||||
|
parser.add_argument('--mat', nargs='+',
|
||||||
|
help='labels for materialpoint',dest='mat')
|
||||||
|
parser.add_argument('--con', nargs='+',
|
||||||
|
help='labels for constituent',dest='con')
|
||||||
|
|
||||||
|
options = parser.parse_args()
|
||||||
|
|
||||||
|
if options.mat is None: options.mat=[]
|
||||||
|
if options.con is None: options.con=[]
|
||||||
|
|
||||||
|
# --- loop over input files ------------------------------------------------------------------------
|
||||||
|
|
||||||
|
for filename in options.filenames:
|
||||||
|
results = damask.DADF5(filename)
|
||||||
|
|
||||||
|
Points = vtk.vtkPoints()
|
||||||
|
Vertices = vtk.vtkCellArray()
|
||||||
|
for c in results.cell_coordinates():
|
||||||
|
pointID = Points.InsertNextPoint(c)
|
||||||
|
Vertices.InsertNextCell(1)
|
||||||
|
Vertices.InsertCellPoint(pointID)
|
||||||
|
|
||||||
|
Polydata = vtk.vtkPolyData()
|
||||||
|
Polydata.SetPoints(Points)
|
||||||
|
Polydata.SetVerts(Vertices)
|
||||||
|
Polydata.Modified()
|
||||||
|
|
||||||
|
for i,inc in enumerate(results.iter_visible('increments')):
|
||||||
|
print('Output step {}/{}'.format(i+1,len(results.increments)))
|
||||||
|
vtk_data = []
|
||||||
|
|
||||||
|
results.set_visible('materialpoints',False)
|
||||||
|
results.set_visible('constituents', True)
|
||||||
|
for label in options.con:
|
||||||
|
|
||||||
|
for p in results.iter_visible('con_physics'):
|
||||||
|
if p != 'generic':
|
||||||
|
for c in results.iter_visible('constituents'):
|
||||||
|
x = results.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = results.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
|
Polydata.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
else:
|
||||||
|
x = results.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = results.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
|
Polydata.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
|
||||||
|
results.set_visible('constituents', False)
|
||||||
|
results.set_visible('materialpoints',True)
|
||||||
|
for label in options.mat:
|
||||||
|
for p in results.iter_visible('mat_physics'):
|
||||||
|
if p != 'generic':
|
||||||
|
for m in results.iter_visible('materialpoints'):
|
||||||
|
x = results.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = results.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
|
Polydata.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
else:
|
||||||
|
x = results.get_dataset_location(label)
|
||||||
|
if len(x) == 0:
|
||||||
|
continue
|
||||||
|
array = results.read_dataset(x,0)
|
||||||
|
shape = [array.shape[0],np.product(array.shape[1:])]
|
||||||
|
vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE))
|
||||||
|
vtk_data[-1].SetName('1_'+x[0].split('/',1)[1])
|
||||||
|
Polydata.GetCellData().AddArray(vtk_data[-1])
|
||||||
|
|
||||||
|
writer = vtk.vtkXMLPolyDataWriter()
|
||||||
|
|
||||||
|
|
||||||
|
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
||||||
|
if not os.path.isdir(dirname):
|
||||||
|
os.mkdir(dirname,0o755)
|
||||||
|
file_out = '{}_{}.{}'.format(os.path.splitext(os.path.split(filename)[-1])[0],inc,writer.GetDefaultFileExtension())
|
||||||
|
|
||||||
|
writer.SetCompressorTypeToZLib()
|
||||||
|
writer.SetDataModeToBinary()
|
||||||
|
writer.SetFileName(os.path.join(dirname,file_out))
|
||||||
|
writer.SetInputData(Polydata)
|
||||||
|
|
||||||
|
writer.Write()
|
|
@ -0,0 +1,149 @@
|
||||||
|
#!/usr/bin/env python3
|
||||||
|
|
||||||
|
import argparse
|
||||||
|
import os
|
||||||
|
|
||||||
|
import h5py
|
||||||
|
import numpy as np
|
||||||
|
|
||||||
|
import damask
|
||||||
|
|
||||||
|
class AttributeManagerNullterm(h5py.AttributeManager):
|
||||||
|
"""
|
||||||
|
Attribute management for DREAM.3D hdf5 files.
|
||||||
|
|
||||||
|
String attribute values are stored as fixed-length string with NULLTERM
|
||||||
|
|
||||||
|
References
|
||||||
|
----------
|
||||||
|
https://stackoverflow.com/questions/38267076
|
||||||
|
https://stackoverflow.com/questions/52750232
|
||||||
|
|
||||||
|
"""
|
||||||
|
|
||||||
|
def create(self, name, data, shape=None, dtype=None):
|
||||||
|
if isinstance(data,str):
|
||||||
|
tid = h5py.h5t.C_S1.copy()
|
||||||
|
tid.set_size(len(data + ' '))
|
||||||
|
super().create(name=name,data=data+' ',dtype = h5py.Datatype(tid))
|
||||||
|
else:
|
||||||
|
super().create(name=name,data=data,shape=shape,dtype=dtype)
|
||||||
|
|
||||||
|
|
||||||
|
h5py._hl.attrs.AttributeManager = AttributeManagerNullterm # 'Monkey patch'
|
||||||
|
|
||||||
|
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
# Crystal structure specifications
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
Crystal_structures = {'fcc': 1,
|
||||||
|
'bcc': 1,
|
||||||
|
'hcp': 0,
|
||||||
|
'bct': 7,
|
||||||
|
'ort': 6} #TODO: is bct Tetragonal low/Tetragonal high?
|
||||||
|
Phase_types = {'Primary': 0} #further additions to these can be done by looking at 'Create Ensemble Info' filter
|
||||||
|
|
||||||
|
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
# MAIN
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
parser = argparse.ArgumentParser(description='Creating a file for DREAM3D from DAMASK data')
|
||||||
|
parser.add_argument('filenames',nargs='+',help='HDF5 based output file')
|
||||||
|
parser.add_argument('--inc',nargs='+',help='Increment for which DREAM3D to be used, eg. 00025',type=int)
|
||||||
|
parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
|
||||||
|
help='name of subdirectory to hold output')
|
||||||
|
|
||||||
|
options = parser.parse_args()
|
||||||
|
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
# loop over input files
|
||||||
|
for filename in options.filenames:
|
||||||
|
f = damask.DADF5(filename) #DAMASK output file
|
||||||
|
count = 0
|
||||||
|
for increment in f.increments:
|
||||||
|
if int(increment[3:]) not in options.inc:
|
||||||
|
count = count + 1
|
||||||
|
continue
|
||||||
|
|
||||||
|
#-------output file creation-------------------------------------
|
||||||
|
dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
|
||||||
|
print(dirname)
|
||||||
|
try:
|
||||||
|
os.mkdir(dirname)
|
||||||
|
except FileExistsError:
|
||||||
|
pass
|
||||||
|
|
||||||
|
o = h5py.File(dirname + '/' + os.path.splitext(filename)[0] + '_{}.dream3D'.format(increment),'w')
|
||||||
|
#-----------------------------------------------------------------
|
||||||
|
o.attrs['DADF5toDREAM3D'] = '1.0'
|
||||||
|
o.attrs['FileVersion'] = '7.0'
|
||||||
|
#-----------------------------------------------------------------
|
||||||
|
|
||||||
|
|
||||||
|
for g in ['DataContainerBundles','Pipeline']: # empty groups (needed)
|
||||||
|
o.create_group(g)
|
||||||
|
|
||||||
|
data_container_label = 'DataContainers/ImageDataContainer'
|
||||||
|
cell_data_label = data_container_label + '/CellData'
|
||||||
|
|
||||||
|
|
||||||
|
# Phase information of DREAM.3D is constituent ID in DAMASK
|
||||||
|
o[cell_data_label + '/Phases'] = f.get_constituent_ID().reshape(tuple(f.grid)+(1,))
|
||||||
|
# Data quaternions
|
||||||
|
DAMASK_quaternion = f.read_dataset(f.get_dataset_location('orientation'),0)
|
||||||
|
DREAM_3D_quaternion = np.empty((np.prod(f.grid),4),dtype=np.float32)
|
||||||
|
# Convert: DAMASK uses P = -1, DREAM.3D uses P = +1. Also change position of imagninary part
|
||||||
|
DREAM_3D_quaternion = np.hstack((-DAMASK_quaternion['x'],-DAMASK_quaternion['y'],-DAMASK_quaternion['z'],
|
||||||
|
DAMASK_quaternion['w']))
|
||||||
|
o[cell_data_label + '/Quats'] = DREAM_3D_quaternion.reshape(tuple(f.grid)+(4,))
|
||||||
|
|
||||||
|
# Attributes to CellData group
|
||||||
|
o[cell_data_label].attrs['AttributeMatrixType'] = np.array([3],np.uint32)
|
||||||
|
o[cell_data_label].attrs['TupleDimensions'] = f.grid.astype(np.uint64)
|
||||||
|
|
||||||
|
# Common Attributes for groups in CellData
|
||||||
|
for group in ['/Phases','/Quats']:
|
||||||
|
o[cell_data_label + group].attrs['DataArrayVersion'] = np.array([2],np.int32)
|
||||||
|
o[cell_data_label + group].attrs['Tuple Axis Dimensions'] = 'x={},y={},z={}'.format(*f.grid)
|
||||||
|
|
||||||
|
# phase attributes
|
||||||
|
o[cell_data_label + '/Phases'].attrs['ComponentDimensions'] = np.array([1],np.uint64)
|
||||||
|
o[cell_data_label + '/Phases'].attrs['ObjectType'] = 'DataArray<int32_t>'
|
||||||
|
|
||||||
|
# Quats attributes
|
||||||
|
o[cell_data_label + '/Quats'].attrs['ComponentDimensions'] = np.array([4],np.uint64)
|
||||||
|
o[cell_data_label + '/Quats'].attrs['ObjectType'] = 'DataArray<float>'
|
||||||
|
|
||||||
|
# Create EnsembleAttributeMatrix
|
||||||
|
ensemble_label = data_container_label + '/EnsembleAttributeMatrix'
|
||||||
|
|
||||||
|
# Data CrystalStructures
|
||||||
|
o[ensemble_label + '/CrystalStructures'] = np.uint32(np.array([999,\
|
||||||
|
Crystal_structures[f.get_crystal_structure()]])).reshape((2,1))
|
||||||
|
o[ensemble_label + '/PhaseTypes'] = np.uint32(np.array([999,Phase_types['Primary']])).reshape((2,1)) # ToDo
|
||||||
|
|
||||||
|
# Attributes Ensemble Matrix
|
||||||
|
o[ensemble_label].attrs['AttributeMatrixType'] = np.array([11],np.uint32)
|
||||||
|
o[ensemble_label].attrs['TupleDimensions'] = np.array([2], np.uint64)
|
||||||
|
|
||||||
|
# Attributes for data in Ensemble matrix
|
||||||
|
for group in ['CrystalStructures','PhaseTypes']: # 'PhaseName' not required MD: But would be nice to take the phase name mapping
|
||||||
|
o[ensemble_label+'/'+group].attrs['ComponentDimensions'] = np.array([1],np.uint64)
|
||||||
|
o[ensemble_label+'/'+group].attrs['Tuple Axis Dimensions'] = 'x=2'
|
||||||
|
o[ensemble_label+'/'+group].attrs['DataArrayVersion'] = np.array([2],np.int32)
|
||||||
|
o[ensemble_label+'/'+group].attrs['ObjectType'] = 'DataArray<uint32_t>'
|
||||||
|
o[ensemble_label+'/'+group].attrs['TupleDimensions'] = np.array([2],np.uint64)
|
||||||
|
|
||||||
|
|
||||||
|
# Create geometry info
|
||||||
|
geom_label = data_container_label + '/_SIMPL_GEOMETRY'
|
||||||
|
|
||||||
|
o[geom_label + '/DIMENSIONS'] = np.int64(f.grid)
|
||||||
|
o[geom_label + '/ORIGIN'] = np.float32(np.zeros(3))
|
||||||
|
o[geom_label + '/SPACING'] = np.float32(f.size)
|
||||||
|
|
||||||
|
o[geom_label].attrs['GeometryName'] = 'ImageGeometry'
|
||||||
|
o[geom_label].attrs['GeometryTypeName'] = 'ImageGeometry'
|
||||||
|
o[geom_label].attrs['GeometryType'] = np.array([0],np.uint32)
|
||||||
|
o[geom_label].attrs['SpatialDimensionality'] = np.array([3],np.uint32)
|
||||||
|
o[geom_label].attrs['UnitDimensionality'] = np.array([3],np.uint32)
|
|
@ -309,6 +309,19 @@ class DADF5():
|
||||||
return path
|
return path
|
||||||
|
|
||||||
|
|
||||||
|
def get_constituent_ID(self,c=0):
|
||||||
|
"""Pointwise constituent ID."""
|
||||||
|
with h5py.File(self.filename,'r') as f:
|
||||||
|
names = f['/mapping/cellResults/constituent']['Name'][:,c].astype('str')
|
||||||
|
return np.array([int(n.split('_')[0]) for n in names.tolist()],dtype=np.int32)
|
||||||
|
|
||||||
|
|
||||||
|
def get_crystal_structure(self): # ToDo: extension to multi constituents/phase
|
||||||
|
"""Info about the crystal structure."""
|
||||||
|
with h5py.File(self.filename,'r') as f:
|
||||||
|
return f[self.get_dataset_location('orientation')[0]].attrs['Lattice'].astype('str') # np.bytes_ to string
|
||||||
|
|
||||||
|
|
||||||
def read_dataset(self,path,c):
|
def read_dataset(self,path,c):
|
||||||
"""
|
"""
|
||||||
Dataset for all points/cells.
|
Dataset for all points/cells.
|
||||||
|
@ -318,7 +331,7 @@ class DADF5():
|
||||||
with h5py.File(self.filename,'r') as f:
|
with h5py.File(self.filename,'r') as f:
|
||||||
shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
|
shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
|
||||||
if len(shape) == 1: shape = shape +(1,)
|
if len(shape) == 1: shape = shape +(1,)
|
||||||
dataset = np.full(shape,np.nan)
|
dataset = np.full(shape,np.nan,dtype=np.dtype(f[path[0]]))
|
||||||
for pa in path:
|
for pa in path:
|
||||||
label = pa.split('/')[2]
|
label = pa.split('/')[2]
|
||||||
|
|
||||||
|
@ -345,6 +358,20 @@ class DADF5():
|
||||||
return dataset
|
return dataset
|
||||||
|
|
||||||
|
|
||||||
|
def cell_coordinates(self):
|
||||||
|
"""Initial coordinates of the cell centers."""
|
||||||
|
if self.structured:
|
||||||
|
delta = self.size/self.grid*0.5
|
||||||
|
z, y, x = np.meshgrid(np.linspace(delta[2],self.size[2]-delta[2],self.grid[2]),
|
||||||
|
np.linspace(delta[1],self.size[1]-delta[1],self.grid[1]),
|
||||||
|
np.linspace(delta[0],self.size[0]-delta[0],self.grid[0]),
|
||||||
|
)
|
||||||
|
return np.concatenate((x[:,:,:,None],y[:,:,:,None],y[:,:,:,None]),axis = 3).reshape([np.product(self.grid),3])
|
||||||
|
else:
|
||||||
|
with h5py.File(self.filename,'r') as f:
|
||||||
|
return f['geometry/x_c'][()]
|
||||||
|
|
||||||
|
|
||||||
def add_Cauchy(self,P='P',F='F'):
|
def add_Cauchy(self,P='P',F='F'):
|
||||||
"""
|
"""
|
||||||
Adds Cauchy stress calculated from 1st Piola-Kirchhoff stress and deformation gradient.
|
Adds Cauchy stress calculated from 1st Piola-Kirchhoff stress and deformation gradient.
|
||||||
|
|
|
@ -381,6 +381,7 @@ subroutine CPFEM_results(inc,time)
|
||||||
call results_addIncrement(inc,time)
|
call results_addIncrement(inc,time)
|
||||||
call constitutive_results
|
call constitutive_results
|
||||||
call crystallite_results
|
call crystallite_results
|
||||||
|
call homogenization_results
|
||||||
call results_removeLink('current') ! ToDo: put this into closeJobFile
|
call results_removeLink('current') ! ToDo: put this into closeJobFile
|
||||||
call results_closeJobFile
|
call results_closeJobFile
|
||||||
#endif
|
#endif
|
||||||
|
|
|
@ -313,11 +313,10 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
|
||||||
|
|
||||||
call CPFEM_general(computationMode,usePingPong,dfgrd0,dfgrd1,temperature,dtime,noel,npt,stress_h,ddsdde_h)
|
call CPFEM_general(computationMode,usePingPong,dfgrd0,dfgrd1,temperature,dtime,noel,npt,stress_h,ddsdde_h)
|
||||||
|
|
||||||
! Mandel: 11, 22, 33, SQRT(2)*12, SQRT(2)*23, SQRT(2)*13
|
! DAMASK: 11, 22, 33, 12, 23, 13
|
||||||
! straight: 11, 22, 33, 12, 23, 13
|
! ABAQUS explicit: 11, 22, 33, 12, 23, 13
|
||||||
! ABAQUS explicit: 11, 22, 33, 12, 23, 13
|
! ABAQUS implicit: 11, 22, 33, 12, 13, 23
|
||||||
! ABAQUS implicit: 11, 22, 33, 12, 13, 23
|
! ABAQUS implicit: 11, 22, 33, 12
|
||||||
! ABAQUS implicit: 11, 22, 33, 12
|
|
||||||
|
|
||||||
ddsdde = ddsdde_h(1:ntens,1:ntens)
|
ddsdde = ddsdde_h(1:ntens,1:ntens)
|
||||||
stress = stress_h(1:ntens)
|
stress = stress_h(1:ntens)
|
||||||
|
|
|
@ -13,7 +13,7 @@
|
||||||
#define INTEL_MIN 1600
|
#define INTEL_MIN 1600
|
||||||
#define PETSC_MAJOR 3
|
#define PETSC_MAJOR 3
|
||||||
#define PETSC_MINOR_MIN 10
|
#define PETSC_MINOR_MIN 10
|
||||||
#define PETSC_MINOR_MAX 11
|
#define PETSC_MINOR_MAX 12
|
||||||
|
|
||||||
module DAMASK_interface
|
module DAMASK_interface
|
||||||
use, intrinsic :: iso_fortran_env
|
use, intrinsic :: iso_fortran_env
|
||||||
|
|
|
@ -265,8 +265,8 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
||||||
call debug_reset() ! resets debugging
|
call debug_reset() ! resets debugging
|
||||||
outdatedFFN1 = .false.
|
outdatedFFN1 = .false.
|
||||||
cycleCounter = cycleCounter + 1
|
cycleCounter = cycleCounter + 1
|
||||||
mesh_cellnode = mesh_build_cellnodes() ! update cell node coordinates
|
!mesh_cellnode = mesh_build_cellnodes() ! update cell node coordinates
|
||||||
call mesh_build_ipCoordinates() ! update ip coordinates
|
!call mesh_build_ipCoordinates() ! update ip coordinates
|
||||||
endif
|
endif
|
||||||
if (outdatedByNewInc) then
|
if (outdatedByNewInc) then
|
||||||
computationMode = ior(computationMode,CPFEM_AGERESULTS) ! calc and age results
|
computationMode = ior(computationMode,CPFEM_AGERESULTS) ! calc and age results
|
||||||
|
@ -315,9 +315,6 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
|
||||||
lastLovl = lovl ! record lovl
|
lastLovl = lovl ! record lovl
|
||||||
|
|
||||||
call CPFEM_general(computationMode,usePingPong,ffn,ffn1,t(1),timinc,m(1),nn,stress,ddsdde)
|
call CPFEM_general(computationMode,usePingPong,ffn,ffn1,t(1),timinc,m(1),nn,stress,ddsdde)
|
||||||
! Mandel: 11, 22, 33, SQRT(2)*12, SQRT(2)*23, SQRT(2)*13
|
|
||||||
! Marc: 11, 22, 33, 12, 23, 13
|
|
||||||
! Marc: 11, 22, 33, 12
|
|
||||||
|
|
||||||
d = ddsdde(1:ngens,1:ngens)
|
d = ddsdde(1:ngens,1:ngens)
|
||||||
s = stress(1:ndi+nshear)
|
s = stress(1:ndi+nshear)
|
||||||
|
|
|
@ -112,14 +112,10 @@ subroutine HDF5_utilities_init
|
||||||
call h5open_f(hdferr)
|
call h5open_f(hdferr)
|
||||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5open_f')
|
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5open_f')
|
||||||
|
|
||||||
#ifndef Marc4DAMASK
|
|
||||||
! This test should ensure that integer size matches. For some reasons, the HDF5 libraries
|
|
||||||
! that come with MSC.Marc>=2019 seem to be of 4byte even though it is a 8byte Marc version
|
|
||||||
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
|
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
|
||||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
|
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (int)')
|
||||||
if (int(bit_size(0),SIZE_T)/=typeSize*8) &
|
if (int(bit_size(0),SIZE_T)/=typeSize*8) &
|
||||||
call IO_error(0,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
|
call IO_error(0,ext_msg='Default integer size does not match H5T_NATIVE_INTEGER')
|
||||||
#endif
|
|
||||||
|
|
||||||
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
|
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
|
||||||
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
|
if (hdferr < 0) call IO_error(1,ext_msg='HDF5_Utilities_init: h5tget_size_f (double)')
|
||||||
|
|
50
src/IO.f90
50
src/IO.f90
|
@ -44,7 +44,6 @@ module IO
|
||||||
IO_extractValue, &
|
IO_extractValue, &
|
||||||
IO_countDataLines
|
IO_countDataLines
|
||||||
#elif defined(Marc4DAMASK)
|
#elif defined(Marc4DAMASK)
|
||||||
IO_skipChunks, &
|
|
||||||
IO_fixedNoEFloatValue, &
|
IO_fixedNoEFloatValue, &
|
||||||
IO_fixedIntValue, &
|
IO_fixedIntValue, &
|
||||||
IO_countNumericalDataLines
|
IO_countNumericalDataLines
|
||||||
|
@ -189,17 +188,17 @@ integer function IO_open_binary(fileName,mode)
|
||||||
m = 'r'
|
m = 'r'
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (m == 'w') then
|
if (m == 'w') then
|
||||||
open(newunit=IO_open_binary, file=trim(fileName),&
|
open(newunit=IO_open_binary, file=trim(fileName),&
|
||||||
status='replace',access='stream',action='write',iostat=ierr)
|
status='replace',access='stream',action='write',iostat=ierr)
|
||||||
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (w): '//trim(fileName))
|
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (w): '//trim(fileName))
|
||||||
elseif(m == 'r') then
|
elseif(m == 'r') then
|
||||||
open(newunit=IO_open_binary, file=trim(fileName),&
|
open(newunit=IO_open_binary, file=trim(fileName),&
|
||||||
status='old', access='stream',action='read', iostat=ierr)
|
status='old', access='stream',action='read', iostat=ierr)
|
||||||
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (r): '//trim(fileName))
|
if (ierr /= 0) call IO_error(100,ext_msg='could not open file (r): '//trim(fileName))
|
||||||
else
|
else
|
||||||
call IO_error(100,ext_msg='unknown access mode: '//m)
|
call IO_error(100,ext_msg='unknown access mode: '//m)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end function IO_open_binary
|
end function IO_open_binary
|
||||||
|
|
||||||
|
@ -403,7 +402,7 @@ pure function IO_stringPos(string)
|
||||||
left = right + verify(string(right+1:),SEP)
|
left = right + verify(string(right+1:),SEP)
|
||||||
right = left + scan(string(left:),SEP) - 2
|
right = left + scan(string(left:),SEP) - 2
|
||||||
if ( string(left:left) == '#' ) exit
|
if ( string(left:left) == '#' ) exit
|
||||||
IO_stringPos = [IO_stringPos,left, right]
|
IO_stringPos = [IO_stringPos,left,right]
|
||||||
IO_stringPos(1) = IO_stringPos(1)+1
|
IO_stringPos(1) = IO_stringPos(1)+1
|
||||||
endOfString: if (right < left) then
|
endOfString: if (right < left) then
|
||||||
IO_stringPos(IO_stringPos(1)*2+1) = len_trim(string)
|
IO_stringPos(IO_stringPos(1)*2+1) = len_trim(string)
|
||||||
|
@ -1023,27 +1022,6 @@ integer function IO_countNumericalDataLines(fileUnit)
|
||||||
backspace(fileUnit)
|
backspace(fileUnit)
|
||||||
|
|
||||||
end function IO_countNumericalDataLines
|
end function IO_countNumericalDataLines
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief reads file to skip (at least) N chunks (may be over multiple lines)
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine IO_skipChunks(fileUnit,N)
|
|
||||||
|
|
||||||
integer, intent(in) :: fileUnit, & !< file handle
|
|
||||||
N !< minimum number of chunks to skip
|
|
||||||
|
|
||||||
integer :: remainingChunks
|
|
||||||
character(len=65536) :: line
|
|
||||||
|
|
||||||
line = ''
|
|
||||||
remainingChunks = N
|
|
||||||
|
|
||||||
do while (trim(line) /= IO_EOF .and. remainingChunks > 0)
|
|
||||||
line = IO_read(fileUnit)
|
|
||||||
remainingChunks = remainingChunks - (size(IO_stringPos(line))-1)/2
|
|
||||||
enddo
|
|
||||||
end subroutine IO_skipChunks
|
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
||||||
|
@ -1072,8 +1050,8 @@ integer function IO_countContinuousIntValues(fileUnit)
|
||||||
if (chunkPos(1) < 1) then ! empty line
|
if (chunkPos(1) < 1) then ! empty line
|
||||||
exit
|
exit
|
||||||
elseif (IO_lc(IO_stringValue(line,chunkPos,2)) == 'to' ) then ! found range indicator
|
elseif (IO_lc(IO_stringValue(line,chunkPos,2)) == 'to' ) then ! found range indicator
|
||||||
IO_countContinuousIntValues = 1 + abs( IO_intValue(line,chunkPos,3) &
|
IO_countContinuousIntValues = 1 + abs( IO_intValue(line,chunkPos,3) &
|
||||||
- IO_intValue(line,chunkPos,1))
|
-IO_intValue(line,chunkPos,1))
|
||||||
exit ! only one single range indicator allowed
|
exit ! only one single range indicator allowed
|
||||||
else
|
else
|
||||||
IO_countContinuousIntValues = IO_countContinuousIntValues+chunkPos(1)-1 ! add line's count when assuming 'c'
|
IO_countContinuousIntValues = IO_countContinuousIntValues+chunkPos(1)-1 ! add line's count when assuming 'c'
|
||||||
|
|
|
@ -14,11 +14,11 @@
|
||||||
#include "Lambert.f90"
|
#include "Lambert.f90"
|
||||||
#include "rotations.f90"
|
#include "rotations.f90"
|
||||||
#include "FEsolving.f90"
|
#include "FEsolving.f90"
|
||||||
#include "geometry_plastic_nonlocal.f90"
|
|
||||||
#include "element.f90"
|
#include "element.f90"
|
||||||
#include "mesh_base.f90"
|
#include "mesh_base.f90"
|
||||||
#include "HDF5_utilities.f90"
|
#include "HDF5_utilities.f90"
|
||||||
#include "results.f90"
|
#include "results.f90"
|
||||||
|
#include "geometry_plastic_nonlocal.f90"
|
||||||
#include "discretization.f90"
|
#include "discretization.f90"
|
||||||
#ifdef Abaqus
|
#ifdef Abaqus
|
||||||
#include "mesh_abaqus.f90"
|
#include "mesh_abaqus.f90"
|
||||||
|
|
|
@ -2090,7 +2090,7 @@ end subroutine setConvergenceFlag
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t)
|
!> @brief Standard forwarding of state as state = state0 + dotState * (delta t) comment seems wrong!
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine update_stress(timeFraction)
|
subroutine update_stress(timeFraction)
|
||||||
|
|
||||||
|
|
|
@ -146,11 +146,11 @@ module element
|
||||||
8 & ! 3D 8node
|
8 & ! 3D 8node
|
||||||
] !< number of cell nodes in a specific cell type
|
] !< number of cell nodes in a specific cell type
|
||||||
|
|
||||||
! *** FE_ipNeighbor ***
|
! *** IPneighbor ***
|
||||||
! is a list of the neighborhood of each IP.
|
! list of the neighborhood of each IP.
|
||||||
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
|
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
|
||||||
! Positive integers denote an intra-FE IP identifier.
|
! Positive integers denote an intra-element IP identifier.
|
||||||
! Negative integers denote the interface behind which the neighboring (extra-FE) IP will be located.
|
! Negative integers denote the interface behind which the neighboring (extra-element) IP will be located.
|
||||||
|
|
||||||
integer, dimension(nIPneighbor(cellType(1)),nIP(1)), parameter, private :: IPneighbor1 = &
|
integer, dimension(nIPneighbor(cellType(1)),nIP(1)), parameter, private :: IPneighbor1 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
|
@ -256,10 +256,6 @@ module element
|
||||||
-3,26,-4,24,-6,18 &
|
-3,26,-4,24,-6,18 &
|
||||||
],[nIPneighbor(cellType(10)),nIP(10)])
|
],[nIPneighbor(cellType(10)),nIP(10)])
|
||||||
|
|
||||||
! MD: probably not needed END
|
|
||||||
! --------------------------------------------------------------------------------------------------
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
integer, dimension(nNode(1),NcellNode(geomType(1))), parameter :: cellNodeParentNodeWeights1 = &
|
integer, dimension(nNode(1),NcellNode(geomType(1))), parameter :: cellNodeParentNodeWeights1 = &
|
||||||
reshape([&
|
reshape([&
|
||||||
|
@ -757,7 +753,7 @@ subroutine tElement_init(self,elemType)
|
||||||
self%cell = CELL10
|
self%cell = CELL10
|
||||||
end select
|
end select
|
||||||
|
|
||||||
self%NcellNodesPerCell = NCELLNODEPERCELL(self%cellType)
|
self%NcellnodesPerCell = NCELLNODEPERCELL(self%cellType)
|
||||||
|
|
||||||
select case(self%cellType)
|
select case(self%cellType)
|
||||||
case(1)
|
case(1)
|
||||||
|
|
|
@ -7,6 +7,7 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module geometry_plastic_nonlocal
|
module geometry_plastic_nonlocal
|
||||||
use prec
|
use prec
|
||||||
|
use results
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
@ -32,6 +33,7 @@ module geometry_plastic_nonlocal
|
||||||
geometry_plastic_nonlocal_setIPvolume, &
|
geometry_plastic_nonlocal_setIPvolume, &
|
||||||
geometry_plastic_nonlocal_setIParea, &
|
geometry_plastic_nonlocal_setIParea, &
|
||||||
geometry_plastic_nonlocal_setIPareaNormal, &
|
geometry_plastic_nonlocal_setIPareaNormal, &
|
||||||
|
geometry_plastic_nonlocal_results, &
|
||||||
geometry_plastic_nonlocal_disable
|
geometry_plastic_nonlocal_disable
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
@ -112,4 +114,45 @@ subroutine geometry_plastic_nonlocal_disable
|
||||||
|
|
||||||
end subroutine geometry_plastic_nonlocal_disable
|
end subroutine geometry_plastic_nonlocal_disable
|
||||||
|
|
||||||
|
|
||||||
|
!---------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief Writes geometry data to results file
|
||||||
|
!---------------------------------------------------------------------------------------------------
|
||||||
|
subroutine geometry_plastic_nonlocal_results
|
||||||
|
|
||||||
|
integer, dimension(:), allocatable :: shp
|
||||||
|
|
||||||
|
#if defined(DAMASK_HDF5)
|
||||||
|
call results_openJobFile
|
||||||
|
|
||||||
|
writeVolume: block
|
||||||
|
real(pReal), dimension(:), allocatable :: temp
|
||||||
|
shp = shape(geometry_plastic_nonlocal_IPvolume0)
|
||||||
|
temp = reshape(geometry_plastic_nonlocal_IPvolume0,[shp(1)*shp(2)])
|
||||||
|
call results_writeDataset('geometry',temp,'v_0',&
|
||||||
|
'initial cell volume','m³')
|
||||||
|
end block writeVolume
|
||||||
|
|
||||||
|
writeAreas: block
|
||||||
|
real(pReal), dimension(:,:), allocatable :: temp
|
||||||
|
shp = shape(geometry_plastic_nonlocal_IParea0)
|
||||||
|
temp = reshape(geometry_plastic_nonlocal_IParea0,[shp(1),shp(2)*shp(3)])
|
||||||
|
call results_writeDataset('geometry',temp,'a_0',&
|
||||||
|
'initial cell face area','m²')
|
||||||
|
end block writeAreas
|
||||||
|
|
||||||
|
writeNormals: block
|
||||||
|
real(pReal), dimension(:,:,:), allocatable :: temp
|
||||||
|
shp = shape(geometry_plastic_nonlocal_IPareaNormal0)
|
||||||
|
temp = reshape(geometry_plastic_nonlocal_IPareaNormal0,[shp(1),shp(2),shp(3)*shp(4)])
|
||||||
|
call results_writeDataset('geometry',temp,'n_0',&
|
||||||
|
'initial cell face normals','-',transposed=.false.)
|
||||||
|
end block writeNormals
|
||||||
|
|
||||||
|
|
||||||
|
call results_closeJobFile
|
||||||
|
#endif
|
||||||
|
|
||||||
|
end subroutine geometry_plastic_nonlocal_results
|
||||||
|
|
||||||
end module geometry_plastic_nonlocal
|
end module geometry_plastic_nonlocal
|
||||||
|
|
112
src/lattice.f90
112
src/lattice.f90
|
@ -228,92 +228,92 @@ module lattice
|
||||||
real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter :: &
|
real(pReal), dimension(4+4,LATTICE_HEX_NSLIP), parameter :: &
|
||||||
LATTICE_HEX_SYSTEMSLIP = reshape(real([&
|
LATTICE_HEX_SYSTEMSLIP = reshape(real([&
|
||||||
! Slip direction Plane normal
|
! Slip direction Plane normal
|
||||||
! Basal systems <11.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
|
! Basal systems <-1-1.0>{00.1} (independent of c/a-ratio, Bravais notation (4 coordinate base))
|
||||||
2, -1, -1, 0, 0, 0, 0, 1, &
|
2, -1, -1, 0, 0, 0, 0, 1, &
|
||||||
-1, 2, -1, 0, 0, 0, 0, 1, &
|
-1, 2, -1, 0, 0, 0, 0, 1, &
|
||||||
-1, -1, 2, 0, 0, 0, 0, 1, &
|
-1, -1, 2, 0, 0, 0, 0, 1, &
|
||||||
! 1st type prismatic systems <11.0>{10.0} (independent of c/a-ratio)
|
! 1st type prismatic systems <-1-1.0>{1-1.0} (independent of c/a-ratio)
|
||||||
2, -1, -1, 0, 0, 1, -1, 0, &
|
2, -1, -1, 0, 0, 1, -1, 0, &
|
||||||
-1, 2, -1, 0, -1, 0, 1, 0, &
|
-1, 2, -1, 0, -1, 0, 1, 0, &
|
||||||
-1, -1, 2, 0, 1, -1, 0, 0, &
|
-1, -1, 2, 0, 1, -1, 0, 0, &
|
||||||
! 2nd type prismatic systems <10.0>{11.0} -- a slip; plane normals independent of c/a-ratio
|
! 2nd type prismatic systems <-11.0>{11.0} -- a slip; plane normals independent of c/a-ratio
|
||||||
0, 1, -1, 0, 2, -1, -1, 0, &
|
-1, 1, 0, 0, 1, 1, -2, 0, &
|
||||||
-1, 0, 1, 0, -1, 2, -1, 0, &
|
0, -1, 1, 0, -2, 1, 1, 0, &
|
||||||
1, -1, 0, 0, -1, -1, 2, 0, &
|
1, 0, -1, 0, 1, -2, 1, 0, &
|
||||||
! 1st type 1st order pyramidal systems <11.0>{-11.1} -- plane normals depend on the c/a-ratio
|
! 1st type 1st order pyramidal systems <-1-1.0>{-11.1} -- plane normals depend on the c/a-ratio
|
||||||
2, -1, -1, 0, 0, 1, -1, 1, &
|
-1, 2, -1, 0, 1, 0, -1, 1, &
|
||||||
-1, 2, -1, 0, -1, 0, 1, 1, &
|
-2, 1, 1, 0, 0, 1, -1, 1, &
|
||||||
-1, -1, 2, 0, 1, -1, 0, 1, &
|
-1, -1, 2, 0, -1, 1, 0, 1, &
|
||||||
1, 1, -2, 0, -1, 1, 0, 1, &
|
1, -2, 1, 0, -1, 0, 1, 1, &
|
||||||
-2, 1, 1, 0, 0, -1, 1, 1, &
|
2, -1, -1, 0, 0, -1, 1, 1, &
|
||||||
1, -2, 1, 0, 1, 0, -1, 1, &
|
1, 1, -2, 0, 1, -1, 0, 1, &
|
||||||
! pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio
|
! pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio
|
||||||
2, -1, -1, 3, -1, 1, 0, 1, &
|
|
||||||
1, -2, 1, 3, -1, 1, 0, 1, &
|
|
||||||
-1, -1, 2, 3, 1, 0, -1, 1, &
|
|
||||||
-2, 1, 1, 3, 1, 0, -1, 1, &
|
-2, 1, 1, 3, 1, 0, -1, 1, &
|
||||||
-1, 2, -1, 3, 0, -1, 1, 1, &
|
-1, -1, 2, 3, 1, 0, -1, 1, &
|
||||||
1, 1, -2, 3, 0, -1, 1, 1, &
|
|
||||||
-2, 1, 1, 3, 1, -1, 0, 1, &
|
|
||||||
-1, 2, -1, 3, 1, -1, 0, 1, &
|
|
||||||
1, 1, -2, 3, -1, 0, 1, 1, &
|
|
||||||
2, -1, -1, 3, -1, 0, 1, 1, &
|
|
||||||
1, -2, 1, 3, 0, 1, -1, 1, &
|
|
||||||
-1, -1, 2, 3, 0, 1, -1, 1, &
|
-1, -1, 2, 3, 0, 1, -1, 1, &
|
||||||
|
1, -2, 1, 3, 0, 1, -1, 1, &
|
||||||
|
1, -2, 1, 3, -1, 1, 0, 1, &
|
||||||
|
2, -1, -1, 3, -1, 1, 0, 1, &
|
||||||
|
2, -1, -1, 3, -1, 0, 1, 1, &
|
||||||
|
1, 1, -2, 3, -1, 0, 1, 1, &
|
||||||
|
1, 1, -2, 3, 0, -1, 1, 1, &
|
||||||
|
-1, 2, -1, 3, 0, -1, 1, 1, &
|
||||||
|
-1, 2, -1, 3, 1, -1, 0, 1, &
|
||||||
|
-2, 1, 1, 3, 1, -1, 0, 1, &
|
||||||
! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
|
! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
|
||||||
2, -1, -1, 3, -2, 1, 1, 2, & ! sorted according to similar twin system
|
-1, -1, 2, 3, 1, 1, -2, 2, & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
|
||||||
-1, 2, -1, 3, 1, -2, 1, 2, & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
|
|
||||||
-1, -1, 2, 3, 1, 1, -2, 2, &
|
|
||||||
-2, 1, 1, 3, 2, -1, -1, 2, &
|
|
||||||
1, -2, 1, 3, -1, 2, -1, 2, &
|
1, -2, 1, 3, -1, 2, -1, 2, &
|
||||||
1, 1, -2, 3, -1, -1, 2, 2 &
|
2, -1, -1, 3, -2, 1, 1, 2, &
|
||||||
],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
|
1, 1, -2, 3, -1, -1, 2, 2, &
|
||||||
|
-1, 2, -1, 3, 1, -2, 1, 2, &
|
||||||
|
-2, 1, 1, 3, 2, -1, -1, 2 &
|
||||||
|
],pReal),shape(LATTICE_HEX_SYSTEMSLIP)) !< slip systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
|
||||||
|
|
||||||
character(len=*), dimension(6), parameter :: LATTICE_HEX_SLIPFAMILY_NAME = &
|
character(len=*), dimension(6), parameter :: LATTICE_HEX_SLIPFAMILY_NAME = &
|
||||||
['<1 1 . 1>{0 0 . 1} ', &
|
['< 1 1 . 0>{ 0 0 . 1}', &
|
||||||
'<1 1 . 1>{1 0 . 0} ', &
|
'< 1 1 . 0>{ 1 0 . 0}', &
|
||||||
'<1 0 . 0>{1 1 . 0} ', &
|
'<-1 1 . 0>{ 1 1 . 0}', &
|
||||||
'<1 1 . 0>{-1 1 . 1} ', &
|
'< 1 1 . 0>{ 1 -1 . 1}', &
|
||||||
'<1 1 . 3>{-1 0 . 1} ', &
|
'< 1 1 . 3>{-1 0 . 1}', &
|
||||||
'<1 1 . 3>{-1 -1 . 2}']
|
'< 1 1 . 3>{-1 -1 . 2}']
|
||||||
|
|
||||||
real(pReal), dimension(4+4,LATTICE_HEX_NTWIN), parameter :: &
|
real(pReal), dimension(4+4,LATTICE_HEX_NTWIN), parameter :: &
|
||||||
LATTICE_HEX_SYSTEMTWIN = reshape(real([&
|
LATTICE_HEX_SYSTEMTWIN = reshape(real([&
|
||||||
! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
|
! Compression or Tension = f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
|
||||||
1, -1, 0, 1, -1, 1, 0, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
|
-1, 0, 1, 1, 1, 0, -1, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
|
||||||
-1, 0, 1, 1, 1, 0, -1, 2, &
|
0, -1, 1, 1, 0, 1, -1, 2, &
|
||||||
|
1, -1, 0, 1, -1, 1, 0, 2, &
|
||||||
|
1, 0, -1, 1, -1, 0, 1, 2, &
|
||||||
0, 1, -1, 1, 0, -1, 1, 2, &
|
0, 1, -1, 1, 0, -1, 1, 2, &
|
||||||
-1, 1, 0, 1, 1, -1, 0, 2, &
|
-1, 1, 0, 1, 1, -1, 0, 2, &
|
||||||
1, 0, -1, 1, -1, 0, 1, 2, &
|
|
||||||
0, -1, 1, 1, 0, 1, -1, 2, &
|
|
||||||
!
|
!
|
||||||
2, -1, -1, 6, -2, 1, 1, 1, & ! <11.6>{-1-1.1} shear = 1/(c/a)
|
-1, -1, 2, 6, 1, 1, -2, 1, & ! <11.6>{-1-1.1} shear = 1/(c/a)
|
||||||
-1, 2, -1, 6, 1, -2, 1, 1, &
|
|
||||||
-1, -1, 2, 6, 1, 1, -2, 1, &
|
|
||||||
-2, 1, 1, 6, 2, -1, -1, 1, &
|
|
||||||
1, -2, 1, 6, -1, 2, -1, 1, &
|
1, -2, 1, 6, -1, 2, -1, 1, &
|
||||||
|
2, -1, -1, 6, -2, 1, 1, 1, &
|
||||||
1, 1, -2, 6, -1, -1, 2, 1, &
|
1, 1, -2, 6, -1, -1, 2, 1, &
|
||||||
|
-1, 2, -1, 6, 1, -2, 1, 1, &
|
||||||
|
-2, 1, 1, 6, 2, -1, -1, 1, &
|
||||||
!
|
!
|
||||||
-1, 1, 0, -2, -1, 1, 0, 1, & !! <10.-2>{10.1} shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
|
1, 0, -1, -2, 1, 0, -1, 1, & ! <10.-2>{10.1} shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
|
||||||
1, 0, -1, -2, 1, 0, -1, 1, &
|
0, 1, -1, -2, 0, 1, -1, 1, &
|
||||||
|
-1, 1, 0, -2, -1, 1, 0, 1, &
|
||||||
|
-1, 0, 1, -2, -1, 0, 1, 1, &
|
||||||
0, -1, 1, -2, 0, -1, 1, 1, &
|
0, -1, 1, -2, 0, -1, 1, 1, &
|
||||||
1, -1, 0, -2, 1, -1, 0, 1, &
|
1, -1, 0, -2, 1, -1, 0, 1, &
|
||||||
-1, 0, 1, -2, -1, 0, 1, 1, &
|
|
||||||
0, 1, -1, -2, 0, 1, -1, 1, &
|
|
||||||
!
|
!
|
||||||
2, -1, -1, -3, 2, -1, -1, 2, & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
|
1, 1, -2, -3, 1, 1, -2, 2, & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
|
||||||
-1, 2, -1, -3, -1, 2, -1, 2, &
|
-1, 2, -1, -3, -1, 2, -1, 2, &
|
||||||
-1, -1, 2, -3, -1, -1, 2, 2, &
|
|
||||||
-2, 1, 1, -3, -2, 1, 1, 2, &
|
-2, 1, 1, -3, -2, 1, 1, 2, &
|
||||||
|
-1, -1, 2, -3, -1, -1, 2, 2, &
|
||||||
1, -2, 1, -3, 1, -2, 1, 2, &
|
1, -2, 1, -3, 1, -2, 1, 2, &
|
||||||
1, 1, -2, -3, 1, 1, -2, 2 &
|
2, -1, -1, -3, 2, -1, -1, 2 &
|
||||||
],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, order follows Prof. Tom Bieler's scheme
|
],pReal),shape(LATTICE_HEX_SYSTEMTWIN)) !< twin systems for hex, sorted by P. Eisenlohr CCW around <c> starting next to a_1 axis
|
||||||
|
|
||||||
character(len=*), dimension(4), parameter :: LATTICE_HEX_TWINFAMILY_NAME = &
|
character(len=*), dimension(4), parameter :: LATTICE_HEX_TWINFAMILY_NAME = &
|
||||||
['<-1 0 . 1>{1 0 . 2} ', &
|
['<-1 0 . 1>{ 1 0 . 2}', &
|
||||||
'<1 1 . 6>{-1 -1 . 1}', &
|
'< 1 1 . 6>{-1 -1 . 1}', &
|
||||||
'<1 0 . -2>{1 0 . 1} ', &
|
'< 1 0 . -2>{ 1 0 . 1}', &
|
||||||
'<1 1 . -3>{1 1 . 2} ']
|
'< 1 1 . -3>{ 1 1 . 2}']
|
||||||
|
|
||||||
real(pReal), dimension(4+4,LATTICE_HEX_NCLEAVAGE), parameter :: &
|
real(pReal), dimension(4+4,LATTICE_HEX_NCLEAVAGE), parameter :: &
|
||||||
LATTICE_HEX_SYSTEMCLEAVAGE = reshape(real([&
|
LATTICE_HEX_SYSTEMCLEAVAGE = reshape(real([&
|
||||||
|
|
16
src/math.f90
16
src/math.f90
|
@ -1307,10 +1307,10 @@ real(pReal) pure function math_volTetrahedron(v1,v2,v3,v4)
|
||||||
real(pReal), dimension (3,3) :: m
|
real(pReal), dimension (3,3) :: m
|
||||||
|
|
||||||
m(1:3,1) = v1-v2
|
m(1:3,1) = v1-v2
|
||||||
m(1:3,2) = v2-v3
|
m(1:3,2) = v1-v3
|
||||||
m(1:3,3) = v3-v4
|
m(1:3,3) = v1-v4
|
||||||
|
|
||||||
math_volTetrahedron = math_det33(m)/6.0_pReal
|
math_volTetrahedron = abs(math_det33(m))/6.0_pReal
|
||||||
|
|
||||||
end function math_volTetrahedron
|
end function math_volTetrahedron
|
||||||
|
|
||||||
|
@ -1404,6 +1404,7 @@ subroutine unitTest
|
||||||
integer, dimension(5) :: range_out_ = [1,2,3,4,5]
|
integer, dimension(5) :: range_out_ = [1,2,3,4,5]
|
||||||
|
|
||||||
real(pReal) :: det
|
real(pReal) :: det
|
||||||
|
real(pReal), dimension(3) :: v3_1,v3_2,v3_3,v3_4
|
||||||
real(pReal), dimension(6) :: v6
|
real(pReal), dimension(6) :: v6
|
||||||
real(pReal), dimension(9) :: v9
|
real(pReal), dimension(9) :: v9
|
||||||
real(pReal), dimension(3,3) :: t33,t33_2
|
real(pReal), dimension(3,3) :: t33,t33_2
|
||||||
|
@ -1452,6 +1453,15 @@ subroutine unitTest
|
||||||
if(any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
if(any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
||||||
call IO_error(401,ext_msg='math_symmetric33')
|
call IO_error(401,ext_msg='math_symmetric33')
|
||||||
|
|
||||||
|
call random_number(v3_1)
|
||||||
|
call random_number(v3_2)
|
||||||
|
call random_number(v3_3)
|
||||||
|
call random_number(v3_4)
|
||||||
|
|
||||||
|
if(dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0, &
|
||||||
|
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pReal)) &
|
||||||
|
call IO_error(401,ext_msg='math_volTetrahedron')
|
||||||
|
|
||||||
call random_number(t33)
|
call random_number(t33)
|
||||||
if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
||||||
call IO_error(401,ext_msg='math_det33/math_detSym33')
|
call IO_error(401,ext_msg='math_det33/math_detSym33')
|
||||||
|
|
|
@ -28,8 +28,7 @@ module mesh
|
||||||
integer, public, protected :: &
|
integer, public, protected :: &
|
||||||
mesh_Nboundaries, &
|
mesh_Nboundaries, &
|
||||||
mesh_NcpElems, & !< total number of CP elements in mesh
|
mesh_NcpElems, & !< total number of CP elements in mesh
|
||||||
mesh_NcpElemsGlobal, &
|
mesh_NcpElemsGlobal
|
||||||
mesh_Nnodes !< total number of nodes in mesh
|
|
||||||
|
|
||||||
!!!! BEGIN DEPRECATED !!!!!
|
!!!! BEGIN DEPRECATED !!!!!
|
||||||
integer, public, protected :: &
|
integer, public, protected :: &
|
||||||
|
@ -69,8 +68,7 @@ module mesh
|
||||||
public :: &
|
public :: &
|
||||||
mesh_init, &
|
mesh_init, &
|
||||||
mesh_FEM_build_ipVolumes, &
|
mesh_FEM_build_ipVolumes, &
|
||||||
mesh_FEM_build_ipCoordinates, &
|
mesh_FEM_build_ipCoordinates
|
||||||
mesh_cellCenterCoordinates
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
@ -107,7 +105,8 @@ subroutine mesh_init
|
||||||
integer, parameter :: FILEUNIT = 222
|
integer, parameter :: FILEUNIT = 222
|
||||||
integer :: j
|
integer :: j
|
||||||
integer, allocatable, dimension(:) :: chunkPos
|
integer, allocatable, dimension(:) :: chunkPos
|
||||||
integer :: dimPlex
|
integer :: dimPlex, &
|
||||||
|
mesh_Nnodes !< total number of nodes in mesh
|
||||||
integer, parameter :: &
|
integer, parameter :: &
|
||||||
mesh_ElemType=1 !< Element type of the mesh (only support homogeneous meshes)
|
mesh_ElemType=1 !< Element type of the mesh (only support homogeneous meshes)
|
||||||
character(len=512) :: &
|
character(len=512) :: &
|
||||||
|
@ -221,9 +220,6 @@ subroutine mesh_init
|
||||||
call theMesh%init(dimplex,integrationOrder,mesh_node0)
|
call theMesh%init(dimplex,integrationOrder,mesh_node0)
|
||||||
call theMesh%setNelems(mesh_NcpElems)
|
call theMesh%setNelems(mesh_NcpElems)
|
||||||
|
|
||||||
theMesh%homogenizationAt = mesh_element(3,:)
|
|
||||||
theMesh%microstructureAt = mesh_element(4,:)
|
|
||||||
|
|
||||||
call discretization_init(mesh_element(3,:),mesh_element(4,:),&
|
call discretization_init(mesh_element(3,:),mesh_element(4,:),&
|
||||||
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
|
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
|
||||||
mesh_node0)
|
mesh_node0)
|
||||||
|
@ -231,26 +227,8 @@ subroutine mesh_init
|
||||||
end subroutine mesh_init
|
end subroutine mesh_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief Calculates cell center coordinates.
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
pure function mesh_cellCenterCoordinates(ip,el)
|
|
||||||
|
|
||||||
integer, intent(in) :: el, & !< element number
|
|
||||||
ip !< integration point number
|
|
||||||
real(pReal), dimension(3) :: mesh_cellCenterCoordinates !< x,y,z coordinates of the cell center of the requested IP cell
|
|
||||||
|
|
||||||
end function mesh_cellCenterCoordinates
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Calculates IP volume. Allocates global array 'mesh_ipVolume'
|
!> @brief Calculates IP volume. Allocates global array 'mesh_ipVolume'
|
||||||
!> @details The IP volume is calculated differently depending on the cell type.
|
|
||||||
!> 2D cells assume an element depth of one in order to calculate the volume.
|
|
||||||
!> For the hexahedral cell we subdivide the cell into subvolumes of pyramidal
|
|
||||||
!> shape with a cell face as basis and the central ip at the tip. This subvolume is
|
|
||||||
!> calculated as an average of four tetrahedals with three corners on the cell face
|
|
||||||
!> and one corner at the central ip.
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine mesh_FEM_build_ipVolumes(dimPlex)
|
subroutine mesh_FEM_build_ipVolumes(dimPlex)
|
||||||
|
|
||||||
|
|
|
@ -1,4 +1,3 @@
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
@ -8,14 +7,13 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module mesh_base
|
module mesh_base
|
||||||
|
|
||||||
use, intrinsic :: iso_c_binding
|
|
||||||
use prec
|
use prec
|
||||||
use element
|
use element
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------------------------
|
||||||
!> Properties of a the whole mesh (consisting of one type of elements)
|
!> Properties of a whole mesh (consisting of one type of elements)
|
||||||
!---------------------------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------------------------
|
||||||
type, public :: tMesh
|
type, public :: tMesh
|
||||||
type(tElement) :: &
|
type(tElement) :: &
|
||||||
|
@ -33,11 +31,7 @@ module mesh_base
|
||||||
elemType, &
|
elemType, &
|
||||||
Ncells, &
|
Ncells, &
|
||||||
nIPneighbors, &
|
nIPneighbors, &
|
||||||
NcellNodes, &
|
NcellNodes
|
||||||
maxElemsPerNode
|
|
||||||
integer(pInt), dimension(:), allocatable, public :: &
|
|
||||||
homogenizationAt, &
|
|
||||||
microstructureAt
|
|
||||||
integer(pInt), dimension(:,:), allocatable, public :: &
|
integer(pInt), dimension(:,:), allocatable, public :: &
|
||||||
connectivity
|
connectivity
|
||||||
contains
|
contains
|
||||||
|
@ -47,6 +41,7 @@ module mesh_base
|
||||||
end type tMesh
|
end type tMesh
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
subroutine tMesh_base_init(self,meshType,elemType,nodes)
|
subroutine tMesh_base_init(self,meshType,elemType,nodes)
|
||||||
|
|
||||||
class(tMesh) :: self
|
class(tMesh) :: self
|
||||||
|
|
1389
src/mesh_marc.f90
1389
src/mesh_marc.f90
File diff suppressed because it is too large
Load Diff
|
@ -434,7 +434,7 @@ end function plastic_isotropic_postResults
|
||||||
!> @brief writes results to HDF5 output file
|
!> @brief writes results to HDF5 output file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine plastic_isotropic_results(instance,group)
|
subroutine plastic_isotropic_results(instance,group)
|
||||||
#if defined(PETSc) || defined(DAMASKHDF5)
|
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||||
|
|
||||||
integer, intent(in) :: instance
|
integer, intent(in) :: instance
|
||||||
character(len=*), intent(in) :: group
|
character(len=*), intent(in) :: group
|
||||||
|
|
|
@ -1452,9 +1452,9 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
|
||||||
opposite_n, & !< neighbor index pointing to me when looking from my opposite neighbor
|
opposite_n, & !< neighbor index pointing to me when looking from my opposite neighbor
|
||||||
t, & !< type of dislocation
|
t, & !< type of dislocation
|
||||||
o,& !< offset shortcut
|
o,& !< offset shortcut
|
||||||
no,& !< neighbour offset shortcut
|
no,& !< neighbor offset shortcut
|
||||||
p,& !< phase shortcut
|
p,& !< phase shortcut
|
||||||
np,& !< neighbour phase shortcut
|
np,& !< neighbor phase shortcut
|
||||||
topp, & !< type of dislocation with opposite sign to t
|
topp, & !< type of dislocation with opposite sign to t
|
||||||
s !< index of my current slip system
|
s !< index of my current slip system
|
||||||
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
|
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
|
||||||
|
@ -1653,7 +1653,7 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
|
||||||
!* If it's not at all compatible, no flux is arriving, because everything is dammed in front of
|
!* If it's not at all compatible, no flux is arriving, because everything is dammed in front of
|
||||||
!* my neighbor's interface.
|
!* my neighbor's interface.
|
||||||
!* The entering flux from my neighbor will be distributed on my slip systems according to the
|
!* The entering flux from my neighbor will be distributed on my slip systems according to the
|
||||||
!*compatibility
|
!* compatibility
|
||||||
|
|
||||||
considerEnteringFlux = .false.
|
considerEnteringFlux = .false.
|
||||||
neighbor_v = 0.0_pReal ! needed for check of sign change in flux density below
|
neighbor_v = 0.0_pReal ! needed for check of sign change in flux density below
|
||||||
|
|
|
@ -65,7 +65,7 @@ subroutine results_init
|
||||||
write(6,'(/,a)') ' <<<+- results init -+>>>'
|
write(6,'(/,a)') ' <<<+- results init -+>>>'
|
||||||
|
|
||||||
write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
|
write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
|
||||||
write(6,'(a)') ' https://doi.org/10.1007/s40192-018-0118-7'
|
write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5'
|
||||||
|
|
||||||
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
|
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
|
||||||
call HDF5_addAttribute(resultsFile,'DADF5-version',0.3_pReal)
|
call HDF5_addAttribute(resultsFile,'DADF5-version',0.3_pReal)
|
||||||
|
@ -296,21 +296,34 @@ end subroutine results_writeVectorDataset_real
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief stores a tensor dataset in a group
|
!> @brief stores a tensor dataset in a group
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit)
|
subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit,transposed)
|
||||||
|
|
||||||
character(len=*), intent(in) :: label,group,description
|
character(len=*), intent(in) :: label,group,description
|
||||||
character(len=*), intent(in), optional :: SIunit
|
character(len=*), intent(in), optional :: SIunit
|
||||||
|
logical, intent(in), optional :: transposed
|
||||||
real(pReal), intent(in), dimension(:,:,:) :: dataset
|
real(pReal), intent(in), dimension(:,:,:) :: dataset
|
||||||
|
|
||||||
integer :: i
|
integer :: i
|
||||||
|
logical :: T
|
||||||
integer(HID_T) :: groupHandle
|
integer(HID_T) :: groupHandle
|
||||||
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
|
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
|
||||||
|
|
||||||
|
|
||||||
|
if(present(transposed)) then
|
||||||
|
T = transposed
|
||||||
|
else
|
||||||
|
T = .true.
|
||||||
|
endif
|
||||||
|
|
||||||
allocate(dataset_transposed,mold=dataset)
|
if(T) then
|
||||||
do i=1,size(dataset,3)
|
if(size(dataset,1) /= size(dataset,2)) call IO_error(0,ext_msg='transpose non-symmetric tensor')
|
||||||
dataset_transposed(1:3,1:3,i) = transpose(dataset(1:3,1:3,i))
|
allocate(dataset_transposed,mold=dataset)
|
||||||
enddo
|
do i=1,size(dataset_transposed,3)
|
||||||
|
dataset_transposed(:,:,i) = transpose(dataset(:,:,i))
|
||||||
|
enddo
|
||||||
|
else
|
||||||
|
allocate(dataset_transposed,source=dataset)
|
||||||
|
endif
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
groupHandle = results_openGroup(group)
|
||||||
|
|
||||||
|
|
Loading…
Reference in New Issue