Merge remote-tracking branch 'origin/spectralSolver-cutbackfix' into 3-adding-plastic-constitutive-law-with-kinematic-hardening
This commit is contained in:
Zhuowen Zhao
commit
7c755a0241
Binary file not shown.
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@ -1 +1,23 @@
|
|||
# Save by abaqususer on Thu May 12 10:22:10 2011
|
||||
# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836
|
||||
from abaqus import *
|
||||
upgradeMdb(
|
||||
'/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression-6.9-1.cae'
|
||||
,
|
||||
'/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression.cae')
|
||||
# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836
|
||||
from part import *
|
||||
from material import *
|
||||
from section import *
|
||||
from assembly import *
|
||||
from step import *
|
||||
from interaction import *
|
||||
from load import *
|
||||
from mesh import *
|
||||
from optimization import *
|
||||
from job import *
|
||||
from sketch import *
|
||||
from visualization import *
|
||||
from connectorBehavior import *
|
||||
mdb.jobs['Job_sx-px'].setValues(description='compression', userSubroutine=
|
||||
'$HOME/DAMASK/src/DAMASK_abaqus_std.f')
|
||||
# Save by m.diehl on 2017_12_06-18.39.44; build 2017 2016_09_27-23.54.59 126836
|
||||
|
|
|
|||
|
|
@ -49,7 +49,7 @@ maxVolDiscrepancy_RGC 1.0e-5 # maximum allowable relative volume discr
|
|||
volDiscrepancyMod_RGC 1.0e+12
|
||||
discrepancyPower_RGC 5.0
|
||||
|
||||
fixed_seed 0 # put any number larger than zero, integer, if you want to have a pseudo random distribution
|
||||
random_seed 0 # any integer larger than zero seeds the random generator, otherwise random seeding
|
||||
|
||||
## spectral parameters ##
|
||||
err_div_tolAbs 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
|
|
@ -16,3 +16,10 @@ patch -p1 < installation/patch/nameOfPatch
|
|||
|
||||
* **PETSc-3.8** adjusts all includes nad calls to PETSc to the 3.8.x API
|
||||
This allows to use the current version of PETSc
|
||||
|
||||
## Create patch
|
||||
commit your changes
|
||||
|
||||
```bash
|
||||
git format-patch PATH_TO_COMPARE --stdout >
|
||||
```
|
||||
|
|
|
|||
|
|
@ -1,198 +0,0 @@
|
|||
<?xml version="1.0"?>
|
||||
<h5ds>
|
||||
<!--Top level attributes-->
|
||||
<history>
|
||||
<type>attr</type>
|
||||
<h5path>/</h5path>
|
||||
<category></category>
|
||||
<description>store cmd history</description>
|
||||
</history>
|
||||
|
||||
<inc>
|
||||
<type>attr</type>
|
||||
<h5path>/</h5path>
|
||||
<category></category>
|
||||
<description></description>
|
||||
</inc>
|
||||
|
||||
<!--Geometry section-->
|
||||
<Vx>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/Vx</h5path>
|
||||
<category>Geometry</category>
|
||||
<description>Vector along x define the spectral mesh</description>
|
||||
</Vx>
|
||||
|
||||
<Vy>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/Vy</h5path>
|
||||
<category>Geometry</category>
|
||||
<description>Vector along y defines the spectral mesh</description>
|
||||
</Vy>
|
||||
|
||||
<Vz>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/Vz</h5path>
|
||||
<category>Geometry</category>
|
||||
<description>Vector along z defines the spectral mesh</description>
|
||||
</Vz>
|
||||
|
||||
<ip>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/ip</h5path>
|
||||
<category>Geometry</category>
|
||||
<description></description>
|
||||
</ip>
|
||||
|
||||
<node>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/node</h5path>
|
||||
<category>Geometry</category>
|
||||
<description></description>
|
||||
</node>
|
||||
|
||||
<grain>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/grain</h5path>
|
||||
<category>Geometry</category>
|
||||
<description></description>
|
||||
</grain>
|
||||
|
||||
<pos>
|
||||
<type>Vector</type>
|
||||
<h5path>/Geometry/pos</h5path>
|
||||
<category>Geometry</category>
|
||||
<description></description>
|
||||
</pos>
|
||||
|
||||
<elem>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Geometry/elem</h5path>
|
||||
<category>Geometry</category>
|
||||
<description></description>
|
||||
</elem>
|
||||
|
||||
<!--Crystallite section-->
|
||||
<phase>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Crystallite/phase</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description></description>
|
||||
</phase>
|
||||
|
||||
<texture>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Crystallite/texture</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description></description>
|
||||
</texture>
|
||||
|
||||
<volume>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Crystallite/volume</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description></description>
|
||||
</volume>
|
||||
|
||||
<orientation>
|
||||
<type>Vector</type>
|
||||
<h5path>/Crystallite/orientation</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description></description>
|
||||
</orientation>
|
||||
|
||||
<eulerangles>
|
||||
<type>Vector</type>
|
||||
<h5path>/Crystallite/eulerangles</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description>Bunnge Euler angles in degrees</description>
|
||||
</eulerangles>
|
||||
|
||||
<grainrotation>
|
||||
<type>Vector</type>
|
||||
<h5path>/Crystallite/grainrotation</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description></description>
|
||||
</grainrotation>
|
||||
|
||||
<f>
|
||||
<type>Tensor</type>
|
||||
<h5path>/Crystallite/f</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description>deformation gradient (F)</description>
|
||||
</f>
|
||||
|
||||
<p>
|
||||
<type>Tensor</type>
|
||||
<h5path>/Crystallite/p</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description>Pikola Kirkhoff stress</description>
|
||||
</p>
|
||||
|
||||
<Cauchy>
|
||||
<type>Tensor</type>
|
||||
<h5path>/Crystallite/Cauchy</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description>Cauchy stress tensor</description>
|
||||
</Cauchy>
|
||||
|
||||
<lnV>
|
||||
<type>Tensor</type>
|
||||
<h5path>/Crystallite/lnV</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description></description>
|
||||
</lnV>
|
||||
|
||||
<MisesCauchy>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Crystallite/MisesCauchy</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description>von Mises equivalent of Cauchy stress</description>
|
||||
</MisesCauchy>
|
||||
|
||||
<MiseslnV>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Crystallite/MiseslnV</h5path>
|
||||
<category>Crystallite</category>
|
||||
<description>left von Mises strain</description>
|
||||
</MiseslnV>
|
||||
|
||||
<!--Constitutive section-->
|
||||
<resistance_slip>
|
||||
<type>Vector</type>
|
||||
<h5path>/Constitutive/resistance_slip</h5path>
|
||||
<category>Constitutive</category>
|
||||
<description></description>
|
||||
</resistance_slip>
|
||||
|
||||
<shearrate_slip>
|
||||
<type>Vector</type>
|
||||
<h5path>/Constitutive/shearrate_slip</h5path>
|
||||
<category>Constitutive</category>
|
||||
<description></description>
|
||||
</shearrate_slip>
|
||||
|
||||
<resolvedstress_slip>
|
||||
<type>Vector</type>
|
||||
<h5path>/Constitutive/resolvedstress_slip</h5path>
|
||||
<category>Constitutive</category>
|
||||
<description></description>
|
||||
</resolvedstress_slip>
|
||||
|
||||
<totalshear>
|
||||
<type>Scalar</type>
|
||||
<h5path>/Constitutive/totalshear</h5path>
|
||||
<category>Constitutive</category>
|
||||
<description></description>
|
||||
</totalshear>
|
||||
|
||||
<accumulatedshear_slip>
|
||||
<type>Matrix</type>
|
||||
<h5path>/Constitutive/accumulatedshear_slip</h5path>
|
||||
<category>Constitutive</category>
|
||||
<description>vector contains accumulated shear per slip system</description>
|
||||
</accumulatedshear_slip>
|
||||
|
||||
<!--Derived section-->
|
||||
|
||||
</h5ds>
|
||||
|
|
@ -1,31 +1,13 @@
|
|||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
"""Main aggregator"""
|
||||
import os,sys,time
|
||||
|
||||
h5py_flag = os.path.join(os.path.dirname(__file__),'../../.noH5py')
|
||||
h5py_grace = 7200 # only complain once every 7200 sec (2 hours)
|
||||
h5py_msg = "h5py module not found."
|
||||
|
||||
now = time.time()
|
||||
import os
|
||||
|
||||
with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f:
|
||||
version = f.readline()[:-1]
|
||||
|
||||
from .environment import Environment # noqa
|
||||
from .asciitable import ASCIItable # noqa
|
||||
try:
|
||||
from .h5table import H5Table # noqa
|
||||
if os.path.exists(h5py_flag): os.remove(h5py_flag) # delete flagging file on success
|
||||
except ImportError:
|
||||
if os.path.exists(h5py_flag):
|
||||
if now - os.path.getmtime(h5py_flag) > h5py_grace: # complain (again) every so-and-so often
|
||||
sys.stderr.write(h5py_msg+'\n')
|
||||
with open(h5py_flag, 'a'):
|
||||
os.utime(h5py_flag,(now,now)) # update flag modification time to "now"
|
||||
else:
|
||||
open(h5py_flag, 'a').close() # create flagging file
|
||||
sys.stderr.write(h5py_msg+'\n') # complain for the first time
|
||||
|
||||
from .config import Material # noqa
|
||||
from .colormaps import Colormap, Color # noqa
|
||||
|
|
|
|||
|
|
@ -1,146 +0,0 @@
|
|||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
# ----------------------------------------------------------- #
|
||||
# Ideally the h5py should be enough to serve as the data #
|
||||
# interface for future DAMASK, but since we are still not #
|
||||
# sure when this major shift will happen, it seems to be a #
|
||||
# good idea to provide a interface class that help user ease #
|
||||
# into using HDF5 as the new daily storage driver. #
|
||||
# ----------------------------------------------------------- #
|
||||
|
||||
import os
|
||||
import h5py
|
||||
import numpy as np
|
||||
import xml.etree.cElementTree as ET
|
||||
|
||||
# ---------------------------------------------------------------- #
|
||||
# python 3 has no unicode object, this ensures that the code works #
|
||||
# on Python 2&3 #
|
||||
# ---------------------------------------------------------------- #
|
||||
try:
|
||||
test = isinstance('test', unicode)
|
||||
except(NameError):
|
||||
unicode = str
|
||||
|
||||
|
||||
def lables_to_path(label, dsXMLPath=None):
|
||||
"""Read the XML definition file and return the path."""
|
||||
if dsXMLPath is None:
|
||||
# use the default storage layout in DS_HDF5.xml
|
||||
if "h5table.pyc" in __file__:
|
||||
dsXMLPath = os.path.abspath(__file__).replace("h5table.pyc",
|
||||
"DS_HDF5.xml")
|
||||
else:
|
||||
dsXMLPath = os.path.abspath(__file__).replace("h5table.py",
|
||||
"DS_HDF5.xml")
|
||||
# This current implementation requires that all variables
|
||||
# stay under the root node, the nesting is defined through the
|
||||
# h5path.
|
||||
# Allow new derived data to be put under the root
|
||||
tree = ET.parse(dsXMLPath)
|
||||
try:
|
||||
dataType = tree.find('{}/type'.format(label)).text
|
||||
h5path = tree.find('{}/h5path'.format(label)).text
|
||||
except:
|
||||
dataType = "Scalar"
|
||||
h5path = "/{}".format(label) # just put it under root
|
||||
return (dataType, h5path)
|
||||
|
||||
|
||||
class H5Table(object):
|
||||
"""
|
||||
Lightweight interface class for h5py
|
||||
|
||||
DESCRIPTION
|
||||
-----------
|
||||
Interface/wrapper class for manipulating data in HDF5 with DAMASK
|
||||
specialized data structure.
|
||||
--> try to maintain a minimal API design.
|
||||
PARAMETERS
|
||||
----------
|
||||
h5f_path: str
|
||||
Absolute path of the HDF5 file
|
||||
METHOD
|
||||
------
|
||||
del_entry() -- Force delete attributes/group/datasets (dangerous)
|
||||
get_attr() -- Return attributes if possible
|
||||
add_attr() -- Add NEW attributes to dataset/group (no force overwrite)
|
||||
get_data() -- Retrieve data in numpy.ndarray
|
||||
add_data() -- Add dataset to H5 file
|
||||
get_cmdlog() -- Return the command used to generate the data if possible
|
||||
NOTE
|
||||
----
|
||||
1. As an interface class, it uses the lazy evaluation design
|
||||
that reads the data only when it is absolutely necessary.
|
||||
2. The command line used to generate each new feature is stored with
|
||||
each dataset as dataset attribute.
|
||||
|
||||
"""
|
||||
|
||||
def __init__(self, h5f_path, new_file=False, dsXMLFile=None):
|
||||
self.h5f_path = h5f_path
|
||||
self.dsXMLFile = dsXMLFile
|
||||
msg = 'Created by H5Talbe from DAMASK'
|
||||
mode = 'w' if new_file else 'a'
|
||||
with h5py.File(self.h5f_path, mode) as h5f:
|
||||
h5f['/'].attrs['description'] = msg
|
||||
|
||||
def del_entry(self, feature_name):
|
||||
"""Delete entry in HDF5 table"""
|
||||
dataType, h5f_path = lables_to_path(feature_name,
|
||||
dsXMLPath=self.dsXMLFile)
|
||||
with h5py.File(self.h5f_path, 'a') as h5f:
|
||||
del h5f[h5f_path]
|
||||
|
||||
def get_attr(self, attr_name):
|
||||
dataType, h5f_path = lables_to_path(attr_name,
|
||||
dsXMLPath=self.dsXMLFile)
|
||||
with h5py.File(self.h5f_path, 'a') as h5f:
|
||||
rst_attr = h5f[h5f_path].attrs[attr_name]
|
||||
return rst_attr
|
||||
|
||||
def add_attr(self, attr_name, attr_data):
|
||||
dataType, h5f_path = lables_to_path(attr_name,
|
||||
dsXMLPath=self.dsXMLFile)
|
||||
with h5py.File(self.h5f_path, 'a') as h5f:
|
||||
h5f[h5f_path].attrs[attr_name] = attr_data
|
||||
h5f.flush()
|
||||
|
||||
def get_data(self, feature_name=None):
|
||||
"""Extract dataset from HDF5 table and return it in a numpy array"""
|
||||
dataType, h5f_path = lables_to_path(feature_name,
|
||||
dsXMLPath=self.dsXMLFile)
|
||||
with h5py.File(self.h5f_path, 'a') as h5f:
|
||||
h5f_dst = h5f[h5f_path] # get the handle for target dataset(table)
|
||||
rst_data = np.zeros(h5f_dst.shape)
|
||||
h5f_dst.read_direct(rst_data)
|
||||
return rst_data
|
||||
|
||||
def add_data(self, feature_name, dataset, cmd_log=None):
|
||||
"""Adding new feature into existing HDF5 file"""
|
||||
dataType, h5f_path = lables_to_path(feature_name,
|
||||
dsXMLPath=self.dsXMLFile)
|
||||
with h5py.File(self.h5f_path, 'a') as h5f:
|
||||
# NOTE:
|
||||
# --> If dataset exists, delete the old one so as to write
|
||||
# a new one. For brand new dataset. For brand new one,
|
||||
# record its state as fresh in the cmd log.
|
||||
try:
|
||||
del h5f[h5f_path]
|
||||
print("***deleting old {} from {}".format(feature_name,self.h5f_path))
|
||||
except:
|
||||
# if no cmd log, None will used
|
||||
cmd_log = str(cmd_log) + " [FRESH]"
|
||||
h5f.create_dataset(h5f_path, data=dataset)
|
||||
# store the cmd in log is possible
|
||||
if cmd_log is not None:
|
||||
h5f[h5f_path].attrs['log'] = str(cmd_log)
|
||||
h5f.flush()
|
||||
|
||||
def get_cmdlog(self, feature_name):
|
||||
"""Get cmd history used to generate the feature"""
|
||||
dataType, h5f_path = lables_to_path(feature_name,
|
||||
dsXMLPath=self.dsXMLFile)
|
||||
with h5py.File(self.h5f_path, 'a') as h5f:
|
||||
cmd_logs = h5f[h5f_path].attrs['log']
|
||||
return cmd_logs
|
||||
|
|
@ -0,0 +1,121 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
def derivative(coordinates,what):
|
||||
|
||||
result = np.empty_like(what)
|
||||
|
||||
# use differentiation by interpolation
|
||||
# as described in http://www2.math.umd.edu/~dlevy/classes/amsc466/lecture-notes/differentiation-chap.pdf
|
||||
|
||||
result[1:-1,:] = + what[1:-1,:] * (2.*coordinates[1:-1]-coordinates[:-2]-coordinates[2:]) / \
|
||||
((coordinates[1:-1]-coordinates[:-2])*(coordinates[1:-1]-coordinates[2:])) \
|
||||
+ what[2:,:] * (coordinates[1:-1]-coordinates[:-2]) / \
|
||||
((coordinates[2:]-coordinates[1:-1])*(coordinates[2:]-coordinates[:-2])) \
|
||||
+ what[:-2,:] * (coordinates[1:-1]-coordinates[2:]) / \
|
||||
((coordinates[:-2]-coordinates[1:-1])*(coordinates[:-2]-coordinates[2:])) \
|
||||
|
||||
result[0,:] = (what[0,:] - what[1,:]) / \
|
||||
(coordinates[0] - coordinates[1])
|
||||
result[-1,:] = (what[-1,:] - what[-2,:]) / \
|
||||
(coordinates[-1] - coordinates[-2])
|
||||
|
||||
return result
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
|
||||
Add column(s) containing numerical derivative of requested column(s) with respect to given coordinates.
|
||||
|
||||
""", version = scriptID)
|
||||
|
||||
parser.add_option('-c','--coordinates',
|
||||
dest = 'coordinates',
|
||||
type = 'string', metavar='string',
|
||||
help = 'heading of coordinate column')
|
||||
parser.add_option('-l','--label',
|
||||
dest = 'label',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'heading of column(s) to differentiate')
|
||||
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.coordinates is None:
|
||||
parser.error('no coordinate column specified.')
|
||||
if options.label is None:
|
||||
parser.error('no data column specified.')
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
for name in filenames:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False)
|
||||
except: continue
|
||||
damask.util.report(scriptName,name)
|
||||
|
||||
# ------------------------------------------ read header ------------------------------------------
|
||||
|
||||
table.head_read()
|
||||
|
||||
# ------------------------------------------ sanity checks ----------------------------------------
|
||||
|
||||
errors = []
|
||||
remarks = []
|
||||
columns = []
|
||||
dims = []
|
||||
|
||||
if table.label_dimension(options.coordinates) != 1:
|
||||
errors.append('coordinate column {} is not scalar.'.format(options.coordinates))
|
||||
|
||||
for what in options.label:
|
||||
dim = table.label_dimension(what)
|
||||
if dim < 0: remarks.append('column {} not found...'.format(what))
|
||||
else:
|
||||
dims.append(dim)
|
||||
columns.append(table.label_index(what))
|
||||
table.labels_append('d({})/d({})'.format(what,options.coordinates) if dim == 1 else
|
||||
['{}_d({})/d({})'.format(i+1,what,options.coordinates) for i in range(dim)] ) # extend ASCII header with new labels
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble header --------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
||||
table.data_readArray()
|
||||
|
||||
mask = []
|
||||
for col,dim in zip(columns,dims): mask += range(col,col+dim) # isolate data columns to differentiate
|
||||
|
||||
differentiated = derivative(table.data[:,table.label_index(options.coordinates)].reshape((len(table.data),1)),
|
||||
table.data[:,mask]) # calculate numerical derivative
|
||||
|
||||
table.data = np.hstack((table.data,differentiated))
|
||||
|
||||
# ------------------------------------------ output result -----------------------------------------
|
||||
|
||||
table.data_writeArray()
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close ASCII tables
|
||||
|
|
@ -1,72 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
# import re
|
||||
# import sys
|
||||
import collections
|
||||
# import math
|
||||
import damask
|
||||
# import numpy as np
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
|
||||
# ----- Helper functions ----- #
|
||||
def listify(x):
|
||||
return x if isinstance(x, collections.Iterable) else [x]
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
usageEx = """
|
||||
usage_in_details:
|
||||
Column labels are tagged by '#label#' in formulas.
|
||||
Use ';' for ',' in functions. Numpy is available as 'np'.
|
||||
Special variables: #_row_# -- row index
|
||||
|
||||
Examples:
|
||||
(1) magnitude of vector -- "np.linalg.norm(#vec#)"
|
||||
(2) rounded root of row number -- "round(math.sqrt(#_row_#);3)"
|
||||
"""
|
||||
desp = "Add or alter column(s) with derived values according to "
|
||||
desp += "user-defined arithmetic operation between column(s)."
|
||||
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]' + usageEx,
|
||||
description=desp,
|
||||
version=scriptID)
|
||||
parser.add_option('-l', '--label',
|
||||
dest='labels',
|
||||
action='extend', metavar='<string LIST>',
|
||||
help='(list of) new column labels')
|
||||
parser.add_option('-f', '--formula',
|
||||
dest='formulas',
|
||||
action='extend', metavar='<string LIST>',
|
||||
help='(list of) formulas corresponding to labels')
|
||||
parser.add_option('-c', '--condition',
|
||||
dest='condition', metavar='string',
|
||||
help='condition to filter rows')
|
||||
|
||||
parser.set_defaults(condition=None)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
# ----- parse formulas ----- #
|
||||
for i in range(len(options.formulas)):
|
||||
options.formulas[i] = options.formulas[i].replace(';', ',')
|
||||
|
||||
# ----- loop over input files ----- #
|
||||
for name in filenames:
|
||||
try:
|
||||
h5f = damask.H5Table(name, new_file=False)
|
||||
except:
|
||||
print("!!!Cannot process {}".format(name))
|
||||
continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# Note:
|
||||
# --> not immediately needed, come back later
|
||||
|
|
@ -1,61 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
import damask
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
|
||||
def getCauchy(f, p):
|
||||
"""Return Cauchy stress for given f and p"""
|
||||
# [Cauchy] = (1/det(F)) * [P].[F_transpose]
|
||||
f = f.reshape((3, 3))
|
||||
p = p.reshape((3, 3))
|
||||
return 1.0/np.linalg.det(f)*np.dot(p, f.T).reshape(9)
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
desp = "Add column(s) containing Cauchy stress based on given column(s)"
|
||||
desp += "of deformation gradient and first Piola--Kirchhoff stress."
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description=desp,
|
||||
version=scriptID)
|
||||
parser.add_option('-f', '--defgrad',
|
||||
dest='defgrad',
|
||||
type='string', metavar='string',
|
||||
help='heading for deformation gradient [%default]')
|
||||
parser.add_option('-p', '--stress',
|
||||
dest='stress',
|
||||
type='string', metavar='string',
|
||||
help='heading for first Piola--Kirchhoff stress [%default]')
|
||||
|
||||
parser.set_defaults(defgrad='f',
|
||||
stress='p')
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
# ----- loop over input H5 files ----- #
|
||||
for name in filenames:
|
||||
try:
|
||||
h5f = damask.H5Table(name, new_file=False)
|
||||
except:
|
||||
continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# ----- read in data ----- #
|
||||
f = h5f.get_data("f")
|
||||
p = h5f.get_data("p")
|
||||
|
||||
# ----- calculate Cauchy stress ----- #
|
||||
cauchy = [getCauchy(f_i, p_i) for f_i, p_i in zip(f, p)]
|
||||
|
||||
# ----- write to HDF5 file ----- #
|
||||
cmd_log = " ".join([scriptID, name])
|
||||
h5f.add_data('Cauchy', np.array(cauchy), cmd_log=cmd_log)
|
||||
|
|
@ -1,145 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
import sys
|
||||
import math
|
||||
import damask
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
# TODO
|
||||
# This implementation will have to iterate through the array one
|
||||
# element at a time, maybe there are some other ways to make this
|
||||
# faster.
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
desp = "Add RGB color value corresponding to TSL-OIM scheme for IPF."
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description=desp,
|
||||
version=scriptID)
|
||||
parser.add_option('-p', '--pole',
|
||||
dest='pole',
|
||||
type='float', nargs=3, metavar='float float float',
|
||||
help='lab frame direction for IPF [%default]')
|
||||
msg = ', '.join(damask.Symmetry.lattices[1:])
|
||||
parser.add_option('-s', '--symmetry',
|
||||
dest='symmetry',
|
||||
type='choice', choices=damask.Symmetry.lattices[1:],
|
||||
metavar='string',
|
||||
help='crystal symmetry [%default] {{{}}} '.format(msg))
|
||||
parser.add_option('-e', '--eulers',
|
||||
dest='eulers',
|
||||
type='string', metavar='string',
|
||||
help='Euler angles label')
|
||||
parser.add_option('-d', '--degrees',
|
||||
dest='degrees',
|
||||
action='store_true',
|
||||
help='Euler angles are given in degrees [%default]')
|
||||
parser.add_option('-m', '--matrix',
|
||||
dest='matrix',
|
||||
type='string', metavar='string',
|
||||
help='orientation matrix label')
|
||||
parser.add_option('-a',
|
||||
dest='a',
|
||||
type='string', metavar='string',
|
||||
help='crystal frame a vector label')
|
||||
parser.add_option('-b',
|
||||
dest='b',
|
||||
type='string', metavar='string',
|
||||
help='crystal frame b vector label')
|
||||
parser.add_option('-c',
|
||||
dest='c',
|
||||
type='string', metavar='string',
|
||||
help='crystal frame c vector label')
|
||||
parser.add_option('-q', '--quaternion',
|
||||
dest='quaternion',
|
||||
type='string', metavar='string',
|
||||
help='quaternion label')
|
||||
|
||||
parser.set_defaults(pole=(0.0, 0.0, 1.0),
|
||||
symmetry=damask.Symmetry.lattices[-1],
|
||||
degrees=False)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
# safe guarding to have only one orientation representation
|
||||
# use dynamic typing to group a,b,c into frame
|
||||
options.frame = [options.a, options.b, options.c]
|
||||
input = [options.eulers is not None,
|
||||
all(options.frame),
|
||||
options.matrix is not None,
|
||||
options.quaternion is not None]
|
||||
|
||||
if np.sum(input) != 1:
|
||||
parser.error('needs exactly one input format.')
|
||||
|
||||
# select input label that was requested (active)
|
||||
label_active = np.where(input)[0][0]
|
||||
(label, dim, inputtype) = [(options.eulers, 3, 'eulers'),
|
||||
(options.frame, [3, 3, 3], 'frame'),
|
||||
(options.matrix, 9, 'matrix'),
|
||||
(options.quaternion, 4, 'quaternion')][label_active]
|
||||
|
||||
# rescale degrees to radians
|
||||
toRadians = math.pi/180.0 if options.degrees else 1.0
|
||||
|
||||
# only use normalized pole
|
||||
pole = np.array(options.pole)
|
||||
pole /= np.linalg.norm(pole)
|
||||
|
||||
# ----- Loop over input files ----- #
|
||||
for name in filenames:
|
||||
try:
|
||||
h5f = damask.H5Table(name, new_file=False)
|
||||
except:
|
||||
continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# extract data from HDF5 file
|
||||
if inputtype == 'eulers':
|
||||
orieData = h5f.get_data(label)
|
||||
elif inputtype == 'matrix':
|
||||
orieData = h5f.get_data(label)
|
||||
orieData = orieData.reshape(orieData.shape[0], 3, 3)
|
||||
elif inputtype == 'frame':
|
||||
vctr_a = h5f.get_data(label[0])
|
||||
vctr_b = h5f.get_data(label[1])
|
||||
vctr_c = h5f.get_data(label[2])
|
||||
frame = np.column_stack((vctr_a, vctr_b, vctr_c))
|
||||
orieData = frame.reshape(frame.shape[0], 3, 3)
|
||||
elif inputtype == 'quaternion':
|
||||
orieData = h5f.get_data(label)
|
||||
|
||||
# calculate the IPF color
|
||||
rgbArrays = np.zeros((orieData.shape[0], 3))
|
||||
for ci in range(rgbArrays.shape[0]):
|
||||
if inputtype == 'eulers':
|
||||
o = damask.Orientation(Eulers=np.array(orieData[ci, :])*toRadians,
|
||||
symmetry=options.symmetry).reduced()
|
||||
elif inputtype == 'matrix':
|
||||
o = damask.Orientation(matrix=orieData[ci, :, :].transpose(),
|
||||
symmetry=options.symmetry).reduced()
|
||||
elif inputtype == 'frame':
|
||||
o = damask.Orientation(matrix=orieData[ci, :, :],
|
||||
symmetry=options.symmetry).reduced()
|
||||
elif inputtype == 'quaternion':
|
||||
o = damask.Orientation(quaternion=orieData[ci, :],
|
||||
symmetry=options.symmetry).reduced()
|
||||
rgbArrays[ci, :] = o.IPFcolor(pole)
|
||||
|
||||
# compose labels/headers for IPF color (RGB)
|
||||
labelIPF = 'IPF_{:g}{:g}{:g}_{sym}'.format(*options.pole,
|
||||
sym=options.symmetry.lower())
|
||||
|
||||
# compose cmd history (go with dataset)
|
||||
cmd_log = scriptID + '\t' + ' '.join(sys.argv[1:])
|
||||
|
||||
# write data to HDF5 file
|
||||
h5f.add_data(labelIPF, rgbArrays, cmd_log=cmd_log)
|
||||
|
|
@ -1,85 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
import sys
|
||||
import math
|
||||
import damask
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
|
||||
# ----- Helper functions ----- #
|
||||
def calcMises(what, tensor):
|
||||
"""Calculate von Mises equivalent"""
|
||||
dev = tensor - np.trace(tensor)/3.0*np.eye(3)
|
||||
symdev = 0.5*(dev+dev.T)
|
||||
return math.sqrt(np.sum(symdev*symdev.T) *
|
||||
{
|
||||
'stress': 3.0/2.0,
|
||||
'strain': 2.0/3.0,
|
||||
}[what.lower()])
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
desp = "Add von Mises equivalent values for symmetric part of requested"
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description=desp,
|
||||
version=scriptID)
|
||||
parser.add_option('-e', '--strain',
|
||||
dest='strain',
|
||||
metavar='string',
|
||||
help='name of dataset containing strain tensors')
|
||||
parser.add_option('-s', '--stress',
|
||||
dest='stress',
|
||||
metavar='string',
|
||||
help='name of dataset containing stress tensors')
|
||||
|
||||
parser.set_defaults(strain=None, stress=None)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
# ----- Loop over input files ----- #
|
||||
for name in filenames:
|
||||
try:
|
||||
h5f = damask.H5Table(name, new_file=False)
|
||||
except:
|
||||
continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# TODO:
|
||||
# Could use some refactoring here
|
||||
if options.stress is not None:
|
||||
# extract stress tensor from HDF5
|
||||
tnsr = h5f.get_data(options.stress)
|
||||
|
||||
# calculate von Mises equivalent row by row
|
||||
vmStress = np.zeros(tnsr.shape[0])
|
||||
for ri in range(tnsr.shape[0]):
|
||||
stressTnsr = tnsr[ri, :].reshape(3, 3)
|
||||
vmStress[ri] = calcMises('stress', stressTnsr)
|
||||
|
||||
# compose label
|
||||
label = "Mises{}".format(options.stress)
|
||||
|
||||
# prepare log info
|
||||
cmd_log = scriptID + '\t' + ' '.join(sys.argv[1:])
|
||||
|
||||
# write data to HDF5 file
|
||||
h5f.add_data(label, vmStress, cmd_log=cmd_log)
|
||||
|
||||
if options.strain is not None:
|
||||
tnsr = h5f.get_data(options.strain)
|
||||
vmStrain = np.zeros(tnsr.shape[0])
|
||||
for ri in range(tnsr.shape[0]):
|
||||
strainTnsr = tnsr[ri, :].reshape(3, 3)
|
||||
vmStrain[ri] = calcMises('strain', strainTnsr)
|
||||
label = "Mises{}".format(options.strain)
|
||||
cmd_log = scriptID + '\t' + ' '.join(sys.argv[1:])
|
||||
h5f.add_data(label, vmStrain, cmd_log=cmd_log)
|
||||
|
|
@ -1,156 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
import sys
|
||||
import damask
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
|
||||
# ----- Helper functions ----- #
|
||||
def operator(stretch, strain, eigenvalues):
|
||||
# Albrecht Bertram: Elasticity and Plasticity of Large Deformations
|
||||
# An Introduction (3rd Edition, 2012), p. 102
|
||||
return {'V#ln': np.log(eigenvalues),
|
||||
'U#ln': np.log(eigenvalues),
|
||||
'V#Biot': (np.ones(3, 'd') - 1.0/eigenvalues),
|
||||
'U#Biot': (eigenvalues - np.ones(3, 'd')),
|
||||
'V#Green': (np.ones(3, 'd') - 1.0/eigenvalues/eigenvalues)*0.5,
|
||||
'U#Green': (eigenvalues*eigenvalues - np.ones(3, 'd'))*0.5,
|
||||
}[stretch+'#'+strain]
|
||||
|
||||
|
||||
def calcEPS(defgrads, stretchType, strainType):
|
||||
"""Calculate specific type of strain tensor"""
|
||||
eps = np.zeros(defgrads.shape) # initialize container
|
||||
|
||||
# TODO:
|
||||
# this loop can use some performance boost
|
||||
# (multi-threading?)
|
||||
for ri in range(defgrads.shape[0]):
|
||||
f = defgrads[ri, :].reshape(3, 3)
|
||||
U, S, Vh = np.linalg.svd(f)
|
||||
R = np.dot(U, Vh) # rotation of polar decomposition
|
||||
if stretchType == 'U':
|
||||
stretch = np.dot(np.linalg.inv(R), f) # F = RU
|
||||
elif stretchType == 'V':
|
||||
stretch = np.dot(f, np.linalg.inv(R)) # F = VR
|
||||
|
||||
# kill nasty noisy data
|
||||
stretch = np.where(abs(stretch) < 1e-12, 0, stretch)
|
||||
|
||||
(D, V) = np.linalg.eig(stretch)
|
||||
# flip principal component with negative Eigen values
|
||||
neg = np.where(D < 0.0)
|
||||
D[neg] *= -1.
|
||||
V[:, neg] *= -1.
|
||||
|
||||
# check each vector for orthogonality
|
||||
# --> brutal force enforcing orthogonal base
|
||||
# and re-normalize
|
||||
for i, eigval in enumerate(D):
|
||||
if np.dot(V[:, i], V[:, (i+1) % 3]) != 0.0:
|
||||
V[:, (i+1) % 3] = np.cross(V[:, (i+2) % 3], V[:, i])
|
||||
V[:, (i+1) % 3] /= np.sqrt(np.dot(V[:, (i+1) % 3],
|
||||
V[:, (i+1) % 3].conj()))
|
||||
|
||||
# calculate requested version of strain tensor
|
||||
d = operator(stretchType, strainType, D)
|
||||
eps[ri] = (np.dot(V, np.dot(np.diag(d), V.T)).real).reshape(9)
|
||||
|
||||
return eps
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
desp = "Add column(s) containing given strains based on given stretches"
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description=desp,
|
||||
version=scriptID)
|
||||
msg = 'material strains based on right Cauchy-Green deformation, i.e., C and U'
|
||||
parser.add_option('-u', '--right',
|
||||
dest='right',
|
||||
action='store_true',
|
||||
help=msg)
|
||||
msg = 'spatial strains based on left Cauchy--Green deformation, i.e., B and V'
|
||||
parser.add_option('-v', '--left',
|
||||
dest='left',
|
||||
action='store_true',
|
||||
help=msg)
|
||||
parser.add_option('-0', '--logarithmic',
|
||||
dest='logarithmic',
|
||||
action='store_true',
|
||||
help='calculate logarithmic strain tensor')
|
||||
parser.add_option('-1', '--biot',
|
||||
dest='biot',
|
||||
action='store_true',
|
||||
help='calculate biot strain tensor')
|
||||
parser.add_option('-2', '--green',
|
||||
dest='green',
|
||||
action='store_true',
|
||||
help='calculate green strain tensor')
|
||||
# NOTE:
|
||||
# It might be easier to just calculate one type of deformation gradient
|
||||
# at a time.
|
||||
msg = 'heading(s) of columns containing deformation tensor values'
|
||||
parser.add_option('-f', '--defgrad',
|
||||
dest='defgrad',
|
||||
action='extend',
|
||||
metavar='<string LIST>',
|
||||
help=msg)
|
||||
|
||||
parser.set_defaults(right=False, left=False,
|
||||
logarithmic=False, biot=False, green=False,
|
||||
defgrad='f')
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
stretches = []
|
||||
strains = []
|
||||
|
||||
if options.right:
|
||||
stretches.append('U')
|
||||
if options.left:
|
||||
stretches.append('V')
|
||||
|
||||
if options.logarithmic:
|
||||
strains.append('ln')
|
||||
if options.biot:
|
||||
strains.append('Biot')
|
||||
if options.green:
|
||||
strains.append('Green')
|
||||
|
||||
if options.defgrad is None:
|
||||
parser.error('no data column specified.')
|
||||
|
||||
# ----- Loop over input files ----- #
|
||||
for name in filenames:
|
||||
try:
|
||||
h5f = damask.H5Table(name, new_file=False)
|
||||
except:
|
||||
continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# extract defgrads from HDF5 storage
|
||||
F = h5f.get_data(options.defgrad)
|
||||
|
||||
# allow calculate multiple types of strain within the
|
||||
# same cmd call
|
||||
for stretchType in stretches:
|
||||
for strainType in strains:
|
||||
# calculate strain tensor for this type
|
||||
eps = calcEPS(F, stretchType, strainType)
|
||||
|
||||
# compose labels/headers for this strain tensor
|
||||
labelsStrain = strainType + stretchType
|
||||
|
||||
# prepare log info
|
||||
cmd_log = scriptID + '\t' + ' '.join(sys.argv[1:])
|
||||
|
||||
# write data to HDF5 file
|
||||
h5f.add_data(labelsStrain, eps, cmd_log=cmd_log)
|
||||
|
|
@ -1,130 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
# ------------------------------------------------------------------- #
|
||||
# NOTE: #
|
||||
# 1. Current Xdmf rendering in Paraview has some memory issue where #
|
||||
# large number of polyvertices will cause segmentation fault. By #
|
||||
# default, paraview output a cell based xdmf description, which #
|
||||
# is working for small and medium mesh (<10,000) points. Hence a #
|
||||
# rectangular mesh is used as the de facto Geometry description #
|
||||
# here. #
|
||||
# 2. Due to the unstable state Xdmf, it is safer to use port data #
|
||||
# to VTR rather than using xdmf as interpretive layer for data #
|
||||
# visualization. #
|
||||
# ------------------------------------------------------------------- #
|
||||
|
||||
|
||||
import os
|
||||
import damask
|
||||
import h5py
|
||||
import xml.etree.cElementTree as ET
|
||||
from optparse import OptionParser
|
||||
from xml.dom import minidom
|
||||
from damask.h5table import lables_to_path
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
|
||||
# ----- HELPER FUNCTIONS -----#
|
||||
def addTopLvlCmt(xmlstr, topLevelCmt):
|
||||
"""Add top level comment to string from ET"""
|
||||
# a quick hack to add the top level comment to XML file
|
||||
# --> somehow Elementtree does not provide this functionality
|
||||
# --> by default
|
||||
strList = xmlstr.split("\n")
|
||||
strList[0] += "\n"+topLevelCmt
|
||||
return "\n".join(strList)
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
msg = 'Generate Xdmf wrapper for HDF5 file.'
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description = msg,
|
||||
version = scriptID)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
h5f = filenames[0]
|
||||
h5f_base = h5f.split("/")[-1]
|
||||
|
||||
# ----- parse HDF5 file ----- #
|
||||
h5f_dataDim = {}
|
||||
h5f_dataPath = {}
|
||||
h5f_dataType = {}
|
||||
with h5py.File(h5f, 'a') as f:
|
||||
labels = f.keys()
|
||||
labels += f['/Constitutive'].keys()
|
||||
labels += f['/Crystallite'].keys()
|
||||
labels += ['Vx', 'Vy', "Vz"]
|
||||
# remove group names as they do not contain real data
|
||||
# TODO: use h5py/H5table API to detect dataset name to
|
||||
# avoid necessary name space pruning.
|
||||
labels.remove('Constitutive')
|
||||
labels.remove('Crystallite')
|
||||
labels.remove('Geometry')
|
||||
# loop through remaining labels
|
||||
for label in labels:
|
||||
dataType, h5Path = lables_to_path(label)
|
||||
h5f_dataType[label] = dataType
|
||||
h5f_dataDim[label] = " ".join(map(str,f[h5Path].shape))
|
||||
h5f_dataPath[label] = h5Path
|
||||
|
||||
# ----- constructing xdmf elements ----- #
|
||||
root = ET.Element("Xdmf", version='3.3')
|
||||
root.set('xmlns:xi', "http://www.w3.org/2001/XInclude")
|
||||
root.append(ET.Comment('Generated Xdmf wapper for DAMASH H5 output'))
|
||||
|
||||
# usually there should only be ONE domain
|
||||
domain = ET.SubElement(root, 'Domain',
|
||||
Name=h5f_base.split(".")[0])
|
||||
|
||||
# use global topology through reference
|
||||
grid = ET.SubElement(domain, 'Grid', GridType="Uniform")
|
||||
# geometry section
|
||||
geometry = ET.SubElement(grid, 'Geometry', GeometryType="VXVYVZ")
|
||||
for vector in ["Vz", "Vy", "Vx"]:
|
||||
dataitem = ET.SubElement(geometry, "DataItem",
|
||||
DataType="Float",
|
||||
Dimensions=h5f_dataDim[vector],
|
||||
Name=vector,
|
||||
Format="HDF")
|
||||
dataitem.text = h5f_base.split("/")[-1] + ":{}".format(h5f_dataPath[vector])
|
||||
# topology section
|
||||
# TODO: support for other format based on given option
|
||||
meshDim = [h5f_dataDim["Vz"], h5f_dataDim["Vy"], h5f_dataDim["Vx"]]
|
||||
topology = ET.SubElement(grid, 'Topology',
|
||||
TopologyType="3DRectMesh",
|
||||
Dimensions=" ".join(map(str, meshDim)))
|
||||
|
||||
# attributes section
|
||||
# Question: how to properly handle data mapping for multiphase situations
|
||||
labelsProcessed = ['Vx', 'Vy', 'Vz']
|
||||
# walk through each attributes
|
||||
for label in labels:
|
||||
if label in labelsProcessed: continue
|
||||
print("adding {}...".format(label))
|
||||
attr = ET.SubElement(grid, 'Attribute',
|
||||
Name=label,
|
||||
Type="None",
|
||||
Center="Cell")
|
||||
dataitem = ET.SubElement(attr, 'DataItem',
|
||||
Name=label,
|
||||
Format='HDF',
|
||||
Dimensions=h5f_dataDim[label])
|
||||
dataitem.text = h5f_base + ":" + h5f_dataPath[label]
|
||||
# update progress list
|
||||
labelsProcessed.append(label)
|
||||
|
||||
|
||||
# pretty print the xdmf(xml) file content
|
||||
xmlstr = minidom.parseString(ET.tostring(root)).toprettyxml(indent="\t")
|
||||
xmlstr = addTopLvlCmt(xmlstr, '<!DOCTYPE Xdmf SYSTEM "Xdmf.dtd" []>')
|
||||
# write str to file through native python API
|
||||
with open(h5f.replace(".h5", ".xmf"), 'w') as f:
|
||||
f.write(xmlstr)
|
||||
|
|
@ -1,191 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os
|
||||
import vtk
|
||||
import damask
|
||||
from vtk.util import numpy_support
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
msg = "Add scalars, vectors, and/or an RGB tuple from"
|
||||
msg += "an HDF5 to existing VTK rectilinear grid (.vtr/.vtk)."
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description=msg,
|
||||
version=scriptID)
|
||||
parser.add_option('--vtk',
|
||||
dest='vtk',
|
||||
type='string', metavar='string',
|
||||
help='VTK file name')
|
||||
parser.add_option('--inplace',
|
||||
dest='inplace',
|
||||
action='store_true',
|
||||
help='modify VTK file in-place')
|
||||
parser.add_option('-r', '--render',
|
||||
dest='render',
|
||||
action='store_true',
|
||||
help='open output in VTK render window')
|
||||
parser.add_option('-d', '--data',
|
||||
dest='data',
|
||||
action='extend', metavar='<string LIST>',
|
||||
help='scalar/vector value(s) label(s)')
|
||||
parser.add_option('-t', '--tensor',
|
||||
dest='tensor',
|
||||
action='extend', metavar='<string LIST>',
|
||||
help='tensor (3x3) value label(s)')
|
||||
parser.add_option('-c', '--color',
|
||||
dest='color',
|
||||
action='extend', metavar='<string LIST>',
|
||||
help='RGB color tuple label')
|
||||
parser.add_option('-m',
|
||||
'--mode',
|
||||
dest='mode',
|
||||
metavar='string',
|
||||
type='choice', choices=['cell', 'point'],
|
||||
help='cell-centered or point-centered coordinates')
|
||||
|
||||
parser.set_defaults(data=[],
|
||||
tensor=[],
|
||||
color=[],
|
||||
mode='cell',
|
||||
inplace=False,
|
||||
render=False)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
# ----- Legacy VTK format support ----- #
|
||||
if os.path.splitext(options.vtk)[1] == '.vtr':
|
||||
reader = vtk.vtkXMLRectilinearGridReader()
|
||||
reader.SetFileName(options.vtk)
|
||||
reader.Update()
|
||||
rGrid = reader.GetOutput()
|
||||
elif os.path.splitext(options.vtk)[1] == '.vtk':
|
||||
reader = vtk.vtkGenericDataObjectReader()
|
||||
reader.SetFileName(options.vtk)
|
||||
reader.Update()
|
||||
rGrid = reader.GetRectilinearGridOutput()
|
||||
else:
|
||||
parser.error('Unsupported VTK file type extension.')
|
||||
|
||||
Npoints = rGrid.GetNumberOfPoints()
|
||||
Ncells = rGrid.GetNumberOfCells()
|
||||
|
||||
# ----- Summary output (Sanity Check) ----- #
|
||||
msg = '{}: {} points and {} cells...'.format(options.vtk,
|
||||
Npoints,
|
||||
Ncells)
|
||||
damask.util.croak(msg)
|
||||
|
||||
# ----- Read HDF5 file ----- #
|
||||
# NOTE:
|
||||
# --> It is possible in the future we are trying to add data
|
||||
# from different increment into the same VTK file, but
|
||||
# this feature is not supported for the moment.
|
||||
# --> Let it fail, if the HDF5 is invalid, python interpretor
|
||||
# --> should be able to catch this error.
|
||||
h5f = damask.H5Table(filenames[0], new_file=False)
|
||||
|
||||
# ----- Process data ----- #
|
||||
featureToAdd = {'data': options.data,
|
||||
'tensor': options.tensor,
|
||||
'color': options.color}
|
||||
VTKarray = {} # store all vtkData in dict, then ship them to file
|
||||
for dataType in featureToAdd.keys():
|
||||
featureNames = featureToAdd[dataType]
|
||||
for featureName in featureNames:
|
||||
VTKtype = vtk.VTK_DOUBLE
|
||||
VTKdata = h5f.get_data(featureName)
|
||||
if dataType == 'color':
|
||||
VTKtype = vtk.VTK_UNSIGNED_CHAR
|
||||
VTKdata = (VTKdata*255).astype(int)
|
||||
elif dataType == 'tensor':
|
||||
# Force symmetries tensor type data
|
||||
VTKdata[:, 1] = VTKdata[:, 3] = 0.5*(VTKdata[:, 1]+VTKdata[:, 3])
|
||||
VTKdata[:, 2] = VTKdata[:, 6] = 0.5*(VTKdata[:, 2]+VTKdata[:, 6])
|
||||
VTKdata[:, 5] = VTKdata[:, 7] = 0.5*(VTKdata[:, 5]+VTKdata[:, 7])
|
||||
# use vtk build-in numpy support to add data (much faster)
|
||||
# NOTE:
|
||||
# --> deep copy is necessary here, otherwise memory leak could occur
|
||||
VTKarray[featureName] = numpy_support.numpy_to_vtk(num_array=VTKdata,
|
||||
deep=True,
|
||||
array_type=VTKtype)
|
||||
VTKarray[featureName].SetName(featureName)
|
||||
|
||||
# ----- ship data to vtkGrid ----- #
|
||||
mode = options.mode
|
||||
damask.util.croak('{} mode...'.format(mode))
|
||||
|
||||
# NOTE:
|
||||
# --> For unknown reason, Paraview only recognize one
|
||||
# tensor attributes per cell, thus it would be safe
|
||||
# to only add one attributes as tensor.
|
||||
for dataType in featureToAdd.keys():
|
||||
featureNames = featureToAdd[dataType]
|
||||
for featureName in featureNames:
|
||||
if dataType == 'color':
|
||||
if mode == 'cell':
|
||||
rGrid.GetCellData().SetScalars(VTKarray[featureName])
|
||||
elif mode == 'point':
|
||||
rGrid.GetPointData().SetScalars(VTKarray[featureName])
|
||||
elif dataType == 'tensor':
|
||||
if mode == 'cell':
|
||||
rGrid.GetCellData().SetTensors(VTKarray[featureName])
|
||||
elif mode == 'point':
|
||||
rGrid.GetPointData().SetTensors(VTKarray[featureName])
|
||||
else:
|
||||
if mode == 'cell':
|
||||
rGrid.GetCellData().AddArray(VTKarray[featureName])
|
||||
elif mode == 'point':
|
||||
rGrid.GetPointData().AddArray(VTKarray[featureName])
|
||||
|
||||
rGrid.Modified()
|
||||
if vtk.VTK_MAJOR_VERSION <= 5:
|
||||
rGrid.Update()
|
||||
|
||||
# ----- write Grid to VTK file ----- #
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetDataModeToBinary()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
vtkFileN = os.path.splitext(options.vtk)[0]
|
||||
vtkExtsn = '.vtr' if options.inplace else '_added.vtr'
|
||||
writer.SetFileName(vtkFileN+vtkExtsn)
|
||||
if vtk.VTK_MAJOR_VERSION <= 5:
|
||||
writer.SetInput(rGrid)
|
||||
else:
|
||||
writer.SetInputData(rGrid)
|
||||
writer.Write()
|
||||
|
||||
# ----- render results from script ----- #
|
||||
if options.render:
|
||||
mapper = vtk.vtkDataSetMapper()
|
||||
mapper.SetInputData(rGrid)
|
||||
actor = vtk.vtkActor()
|
||||
actor.SetMapper(mapper)
|
||||
|
||||
# Create the graphics structure. The renderer renders into the
|
||||
# render window. The render window interactor captures mouse events
|
||||
# and will perform appropriate camera or actor manipulation
|
||||
# depending on the nature of the events.
|
||||
|
||||
ren = vtk.vtkRenderer()
|
||||
|
||||
renWin = vtk.vtkRenderWindow()
|
||||
renWin.AddRenderer(ren)
|
||||
|
||||
ren.AddActor(actor)
|
||||
ren.SetBackground(1, 1, 1)
|
||||
renWin.SetSize(200, 200)
|
||||
|
||||
iren = vtk.vtkRenderWindowInteractor()
|
||||
iren.SetRenderWindow(renWin)
|
||||
|
||||
iren.Initialize()
|
||||
renWin.Render()
|
||||
iren.Start()
|
||||
|
|
@ -1,135 +0,0 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
# ------------------------------------------------------------------ #
|
||||
# NOTE: #
|
||||
# 1. It might be a good idea to separate IO and calculation. #
|
||||
# 2. Some of the calculation could be useful in other situations, #
|
||||
# why not build a math_util, or math_sup module that contains #
|
||||
# all the useful functions. #
|
||||
# ------------------------------------------------------------------ #
|
||||
|
||||
import os
|
||||
import vtk
|
||||
import numpy as np
|
||||
import damask
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
|
||||
# ----- HELPER FUNCTION ----- #
|
||||
def getMeshFromXYZ(xyzArray, mode):
|
||||
"""Calc Vx,Vy,Vz vectors for vtk rectangular mesh"""
|
||||
# NOTE:
|
||||
# --> np.unique will automatically sort the list
|
||||
# --> although not exactly n(1), but since mesh dimension should
|
||||
# small anyway, so this is still light weight.
|
||||
dim = xyzArray.shape[1] # 2D:2, 3D:3
|
||||
coords = [np.unique(xyzArray[:, i]) for i in range(dim)]
|
||||
|
||||
if mode == 'cell':
|
||||
# since x, y, z might now have the same number of elements,
|
||||
# we have to deal with them individually
|
||||
for ri in range(dim):
|
||||
vctr_pt = coords[ri]
|
||||
vctr_cell = np.empty(len(vctr_pt)+1)
|
||||
# calculate first and last end point
|
||||
vctr_cell[0] = vctr_pt[0] - 0.5*abs(vctr_pt[1] - vctr_pt[0])
|
||||
vctr_cell[-1] = vctr_pt[-1] + 0.5*abs(vctr_pt[-2] - vctr_pt[-1])
|
||||
for cj in range(1, len(vctr_cell)-1):
|
||||
vctr_cell[cj] = 0.5*(vctr_pt[cj-1] + vctr_pt[cj])
|
||||
# update the coords
|
||||
coords[ri] = vctr_cell
|
||||
|
||||
if dim < 3:
|
||||
coords.append([0]) # expand to a 3D with 0 for z
|
||||
|
||||
# auxiliary description
|
||||
grid = np.array(map(len, coords), 'i')
|
||||
N = grid.prod() if mode == 'point' else (grid-1).prod()
|
||||
return coords, grid, N
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
msg = "Create regular voxel grid from points in an ASCIItable."
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description=msg,
|
||||
version=scriptID)
|
||||
|
||||
parser.add_option('-m',
|
||||
'--mode',
|
||||
dest='mode',
|
||||
metavar='string',
|
||||
type='choice', choices=['cell', 'point'],
|
||||
help='cell-centered or point-centered coordinates')
|
||||
parser.add_option('-p',
|
||||
'--pos', '--position',
|
||||
dest='pos',
|
||||
type='string', metavar='string',
|
||||
help='label of coordinates [%default]')
|
||||
|
||||
parser.set_defaults(mode='cell',
|
||||
pos='pos')
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
# ----- loop over input files ----- #
|
||||
for name in filenames:
|
||||
try:
|
||||
h5f = damask.H5Table(name, new_file=False)
|
||||
except:
|
||||
continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# ----- read xyzArray from HDF5 file ----- #
|
||||
xyzArray = h5f.get_data(options.pos)
|
||||
|
||||
# ----- figure out size and grid ----- #
|
||||
coords, grid, N = getMeshFromXYZ(xyzArray, options.mode)
|
||||
|
||||
# ----- process data ----- #
|
||||
rGrid = vtk.vtkRectilinearGrid()
|
||||
# WARNING: list expansion does not work here as these are
|
||||
# just pointers for a vtk instance. Simply put,
|
||||
# DON't USE
|
||||
# [<VTK_CONSTRUCTOR>] * <NUM_OF_ELEMENTS>
|
||||
coordArray = [vtk.vtkDoubleArray(),
|
||||
vtk.vtkDoubleArray(),
|
||||
vtk.vtkDoubleArray()]
|
||||
|
||||
rGrid.SetDimensions(*grid)
|
||||
for i, points in enumerate(coords):
|
||||
for point in points:
|
||||
coordArray[i].InsertNextValue(point)
|
||||
|
||||
rGrid.SetXCoordinates(coordArray[0])
|
||||
rGrid.SetYCoordinates(coordArray[1])
|
||||
rGrid.SetZCoordinates(coordArray[2])
|
||||
|
||||
# ----- output result ----- #
|
||||
dirPath = os.path.split(name)[0]
|
||||
if name:
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
writer.SetDataModeToBinary()
|
||||
# getting the name is a little bit tricky
|
||||
vtkFileName = os.path.splitext(os.path.split(name)[1])[0]
|
||||
vtkFileName += '_{}({})'.format(options.pos, options.mode)
|
||||
vtkFileName += '.' + writer.GetDefaultFileExtension()
|
||||
writer.SetFileName(os.path.join(dirPath, vtkFileName))
|
||||
else:
|
||||
writer = vtk.vtkDataSetWriter()
|
||||
writer.SetHeader('# powered by '+scriptID)
|
||||
writer.WriteToOutputStringOn()
|
||||
|
||||
if vtk.VTK_MAJOR_VERSION <= 5:
|
||||
writer.SetInput(rGrid)
|
||||
else:
|
||||
writer.SetInputData(rGrid)
|
||||
|
||||
writer.Write()
|
||||
|
|
@ -0,0 +1,167 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,re
|
||||
import argparse
|
||||
import damask
|
||||
import vtk, numpy as np
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName, damask.version])
|
||||
|
||||
parser = argparse.ArgumentParser(description='Convert from Marc input file format to VTK', version = scriptID)
|
||||
parser.add_argument('filename', type=str, nargs='+', help='files to convert')
|
||||
|
||||
args = parser.parse_args()
|
||||
files = args.filename
|
||||
if type(files) is str:
|
||||
files = [files]
|
||||
|
||||
|
||||
for f in files:
|
||||
with open(f, 'r') as marcfile:
|
||||
marctext = marcfile.read();
|
||||
# Extract connectivity chunk from file...
|
||||
connectivity_text = re.findall(r'connectivity[\n\r]+(.*?)[\n\r]+[a-zA-Z]', marctext, flags=(re.MULTILINE | re.DOTALL))[0]
|
||||
connectivity_lines = re.split(r'[\n\r]+', connectivity_text, flags=(re.MULTILINE | re.DOTALL))
|
||||
connectivity_header = connectivity_lines[0]
|
||||
connectivity_lines = connectivity_lines[1:]
|
||||
# Construct element map
|
||||
elements = dict(map(lambda line:
|
||||
(
|
||||
int(line[0:10]), # index
|
||||
{
|
||||
'type': int(line[10:20]),
|
||||
'verts': list(map(int, re.split(r' +', line[20:].strip())))
|
||||
}
|
||||
), connectivity_lines))
|
||||
# Extract coordinate chunk from file
|
||||
coordinates_text = re.findall(r'coordinates[\n\r]+(.*?)[\n\r]+[a-zA-Z]', marctext, flags=(re.MULTILINE | re.DOTALL))[0]
|
||||
coordinates_lines = re.split(r'[\n\r]+', coordinates_text, flags=(re.MULTILINE | re.DOTALL))
|
||||
coordinates_header = coordinates_lines[0]
|
||||
coordinates_lines = coordinates_lines[1:]
|
||||
# marc input file does not use "e" in scientific notation, this adds it and converts
|
||||
fl_format = lambda string: float(re.sub(r'(\d)([\+\-])', r'\1e\2', string))
|
||||
# Construct coordinate map
|
||||
coordinates = dict(map(lambda line:
|
||||
(
|
||||
int(line[0:10]),
|
||||
np.array([
|
||||
fl_format(line[10:30]),
|
||||
fl_format(line[30:50]),
|
||||
fl_format(line[50:70])
|
||||
])
|
||||
), coordinates_lines))
|
||||
|
||||
# Subdivide volumes
|
||||
grid = vtk.vtkUnstructuredGrid()
|
||||
vertex_count = len(coordinates)
|
||||
edge_to_vert = dict() # when edges are subdivided, a new vertex in the middle is produced and placed in here
|
||||
ordered_pair = lambda a, b: (a, b) if a < b else (b, a) # edges are bidirectional
|
||||
|
||||
def subdivide_edge(vert1, vert2):
|
||||
edge = ordered_pair(vert1, vert2)
|
||||
|
||||
if edge in edge_to_vert:
|
||||
return edge_to_vert[edge]
|
||||
|
||||
newvert = len(coordinates) + 1
|
||||
coordinates[newvert] = 0.5 * (coordinates[vert1] + coordinates[vert2]) # Average
|
||||
edge_to_vert[edge] = newvert;
|
||||
return newvert;
|
||||
|
||||
|
||||
|
||||
for el_id in range(1, len(elements) + 1):
|
||||
el = elements[el_id]
|
||||
if el['type'] == 7:
|
||||
# Hexahedron, subdivided
|
||||
|
||||
# There may be a better way to iterate over these, but this is consistent
|
||||
# with the ordering scheme provided at https://damask.mpie.de/pub/Documentation/ElementType
|
||||
|
||||
subverts = np.zeros((3,3,3), dtype=int)
|
||||
# Get corners
|
||||
subverts[0, 0, 0] = el['verts'][0]
|
||||
subverts[2, 0, 0] = el['verts'][1]
|
||||
subverts[2, 2, 0] = el['verts'][2]
|
||||
subverts[0, 2, 0] = el['verts'][3]
|
||||
subverts[0, 0, 2] = el['verts'][4]
|
||||
subverts[2, 0, 2] = el['verts'][5]
|
||||
subverts[2, 2, 2] = el['verts'][6]
|
||||
subverts[0, 2, 2] = el['verts'][7]
|
||||
|
||||
# lower edges
|
||||
subverts[1, 0, 0] = subdivide_edge(subverts[0, 0, 0], subverts[2, 0, 0])
|
||||
subverts[2, 1, 0] = subdivide_edge(subverts[2, 0, 0], subverts[2, 2, 0])
|
||||
subverts[1, 2, 0] = subdivide_edge(subverts[2, 2, 0], subverts[0, 2, 0])
|
||||
subverts[0, 1, 0] = subdivide_edge(subverts[0, 2, 0], subverts[0, 0, 0])
|
||||
|
||||
# middle edges
|
||||
subverts[0, 0, 1] = subdivide_edge(subverts[0, 0, 0], subverts[0, 0, 2])
|
||||
subverts[2, 0, 1] = subdivide_edge(subverts[2, 0, 0], subverts[2, 0, 2])
|
||||
subverts[2, 2, 1] = subdivide_edge(subverts[2, 2, 0], subverts[2, 2, 2])
|
||||
subverts[0, 2, 1] = subdivide_edge(subverts[0, 2, 0], subverts[0, 2, 2])
|
||||
|
||||
# top edges
|
||||
subverts[1, 0, 2] = subdivide_edge(subverts[0, 0, 2], subverts[2, 0, 2])
|
||||
subverts[2, 1, 2] = subdivide_edge(subverts[2, 0, 2], subverts[2, 2, 2])
|
||||
subverts[1, 2, 2] = subdivide_edge(subverts[2, 2, 2], subverts[0, 2, 2])
|
||||
subverts[0, 1, 2] = subdivide_edge(subverts[0, 2, 2], subverts[0, 0, 2])
|
||||
|
||||
# then faces... The edge_to_vert addition is due to there being two ways
|
||||
# to calculate a face, depending which opposite vertices are used to subdivide
|
||||
subverts[1, 1, 0] = subdivide_edge(subverts[1, 0, 0], subverts[1, 2, 0])
|
||||
edge_to_vert[ordered_pair(subverts[0, 1, 0], subverts[2, 1, 0])] = subverts[1, 1, 0]
|
||||
|
||||
subverts[1, 0, 1] = subdivide_edge(subverts[1, 0, 0], subverts[1, 0, 2])
|
||||
edge_to_vert[ordered_pair(subverts[0, 0, 1], subverts[2, 0, 1])] = subverts[1, 0, 1]
|
||||
|
||||
subverts[2, 1, 1] = subdivide_edge(subverts[2, 1, 0], subverts[2, 1, 2])
|
||||
edge_to_vert[ordered_pair(subverts[2, 0, 1], subverts[2, 2, 1])] = subverts[2, 1, 1]
|
||||
|
||||
subverts[1, 2, 1] = subdivide_edge(subverts[1, 2, 0], subverts[1, 2, 2])
|
||||
edge_to_vert[ordered_pair(subverts[0, 2, 1], subverts[2, 2, 1])] = subverts[1, 2, 1]
|
||||
|
||||
subverts[0, 1, 1] = subdivide_edge(subverts[0, 1, 0], subverts[0, 1, 2])
|
||||
edge_to_vert[ordered_pair(subverts[0, 0, 1], subverts[0, 2, 1])] = subverts[0, 1, 1]
|
||||
|
||||
subverts[1, 1, 2] = subdivide_edge(subverts[1, 0, 2], subverts[1, 2, 2])
|
||||
edge_to_vert[ordered_pair(subverts[0, 1, 2], subverts[2, 1, 2])] = subverts[1, 1, 2]
|
||||
|
||||
# and finally the center. There are three ways to calculate, but elements should
|
||||
# not intersect, so the edge_to_vert part isn't needed here.
|
||||
subverts[1, 1, 1] = subdivide_edge(subverts[1, 1, 0], subverts[1, 1, 2])
|
||||
|
||||
|
||||
# Now make the hexahedron subelements
|
||||
# order in which vtk expects vertices for a hexahedron
|
||||
order = np.array([(0,0,0),(1,0,0),(1,1,0),(0,1,0),(0,0,1),(1,0,1),(1,1,1),(0,1,1)])
|
||||
for z in range(2):
|
||||
for y in range(2):
|
||||
for x in range(2):
|
||||
hex_ = vtk.vtkHexahedron()
|
||||
for vert_id in range(8):
|
||||
coord = order[vert_id] + (x, y, z)
|
||||
hex_.GetPointIds().SetId(vert_id, subverts[coord[0], coord[1], coord[2]] - 1) # minus one, since vtk starts at zero but marc starts at one
|
||||
grid.InsertNextCell(hex_.GetCellType(), hex_.GetPointIds())
|
||||
|
||||
|
||||
else:
|
||||
damask.util.croak('Unsupported Marc element type: {} (skipping)'.format(el['type']))
|
||||
|
||||
# Load all points
|
||||
points = vtk.vtkPoints()
|
||||
for point in range(1, len(coordinates) + 1): # marc indices start at 1
|
||||
points.InsertNextPoint(coordinates[point].tolist())
|
||||
|
||||
grid.SetPoints(points)
|
||||
|
||||
# grid now contains the elements from the given marc file
|
||||
writer = vtk.vtkXMLUnstructuredGridWriter()
|
||||
writer.SetFileName(re.sub(r'\..+', ".vtu", f)) # *.vtk extension does not work in paraview
|
||||
#writer.SetCompressorTypeToZLib()
|
||||
|
||||
if vtk.VTK_MAJOR_VERSION <= 5: writer.SetInput(grid)
|
||||
else: writer.SetInputData(grid)
|
||||
writer.Write()
|
||||
|
|
@ -0,0 +1,206 @@
|
|||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,vtk
|
||||
import damask
|
||||
from vtk.util import numpy_support
|
||||
from collections import defaultdict
|
||||
from optparse import OptionParser
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
scriptID = ' '.join([scriptName,damask.version])
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
# MAIN
|
||||
# --------------------------------------------------------------------
|
||||
|
||||
msg = "Add scalars, vectors, and/or an RGB tuple from"
|
||||
msg += "an ASCIItable to existing VTK grid (.vtr/.vtk/.vtu)."
|
||||
parser = OptionParser(option_class=damask.extendableOption,
|
||||
usage='%prog options [file[s]]',
|
||||
description = msg,
|
||||
version = scriptID)
|
||||
|
||||
parser.add_option( '--vtk',
|
||||
dest = 'vtk',
|
||||
type = 'string', metavar = 'string',
|
||||
help = 'VTK file name')
|
||||
parser.add_option( '--inplace',
|
||||
dest = 'inplace',
|
||||
action = 'store_true',
|
||||
help = 'modify VTK file in-place')
|
||||
parser.add_option('-r', '--render',
|
||||
dest = 'render',
|
||||
action = 'store_true',
|
||||
help = 'open output in VTK render window')
|
||||
parser.add_option('-d', '--data',
|
||||
dest = 'data',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'scalar/vector value(s) label(s)')
|
||||
parser.add_option('-t', '--tensor',
|
||||
dest = 'tensor',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'tensor (3x3) value label(s)')
|
||||
parser.add_option('-c', '--color',
|
||||
dest = 'color',
|
||||
action = 'extend', metavar = '<string LIST>',
|
||||
help = 'RGB color tuple label')
|
||||
|
||||
parser.set_defaults(data = [],
|
||||
tensor = [],
|
||||
color = [],
|
||||
inplace = False,
|
||||
render = False,
|
||||
)
|
||||
|
||||
(options, filenames) = parser.parse_args()
|
||||
|
||||
if not options.vtk: parser.error('No VTK file specified.')
|
||||
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
||||
|
||||
if os.path.splitext(options.vtk)[1] == '.vtr':
|
||||
reader = vtk.vtkXMLRectilinearGridReader()
|
||||
reader.SetFileName(options.vtk)
|
||||
reader.Update()
|
||||
rGrid = reader.GetOutput()
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetFileName(os.path.splitext(options.vtk)[0]+('.vtr' if options.inplace else '_added.vtr'))
|
||||
elif os.path.splitext(options.vtk)[1] == '.vtk':
|
||||
reader = vtk.vtkGenericDataObjectReader()
|
||||
reader.SetFileName(options.vtk)
|
||||
reader.Update()
|
||||
rGrid = reader.GetRectilinearGridOutput()
|
||||
writer = vtk.vtkXMLRectilinearGridWriter()
|
||||
writer.SetFileName(os.path.splitext(options.vtk)[0]+('.vtr' if options.inplace else '_added.vtr'))
|
||||
elif os.path.splitext(options.vtk)[1] == '.vtu':
|
||||
reader = vtk.vtkXMLUnstructuredGridReader()
|
||||
reader.SetFileName(options.vtk)
|
||||
reader.Update()
|
||||
rGrid = reader.GetOutput()
|
||||
writer = vtk.vtkXMLUnstructuredGridWriter()
|
||||
writer.SetFileName(os.path.splitext(options.vtk)[0]+('.vtu' if options.inplace else '_added.vtu'))
|
||||
else:
|
||||
parser.error('Unsupported VTK file type extension.')
|
||||
|
||||
Npoints = rGrid.GetNumberOfPoints()
|
||||
Ncells = rGrid.GetNumberOfCells()
|
||||
|
||||
damask.util.croak('{}: {} points and {} cells...'.format(options.vtk,Npoints,Ncells))
|
||||
|
||||
# --- loop over input files -------------------------------------------------------------------------
|
||||
|
||||
if filenames == []: filenames = [None]
|
||||
|
||||
for name in filenames:
|
||||
try: table = damask.ASCIItable(name = name,
|
||||
buffered = False,
|
||||
readonly = True)
|
||||
except: continue
|
||||
damask.util.report(scriptName, name)
|
||||
|
||||
# --- interpret header ----------------------------------------------------------------------------
|
||||
|
||||
table.head_read()
|
||||
|
||||
remarks = []
|
||||
errors = []
|
||||
VTKarray = {}
|
||||
active = defaultdict(list)
|
||||
|
||||
for datatype,dimension,label in [['data',99,options.data],
|
||||
['tensor',9,options.tensor],
|
||||
['color' ,3,options.color],
|
||||
]:
|
||||
for i,dim in enumerate(table.label_dimension(label)):
|
||||
me = label[i]
|
||||
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
||||
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
||||
else:
|
||||
remarks.append('adding {} "{}"...'.format(datatype,me))
|
||||
active[datatype].append(me)
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ process data ---------------------------------------
|
||||
|
||||
table.data_readArray([item for sublist in active.values() for item in sublist]) # read all requested data
|
||||
|
||||
for datatype,labels in active.items(): # loop over scalar,color
|
||||
for me in labels: # loop over all requested items
|
||||
VTKtype = vtk.VTK_DOUBLE
|
||||
VTKdata = table.data[:, table.label_indexrange(me)].copy() # copy to force contiguous layout
|
||||
|
||||
if datatype == 'color':
|
||||
VTKtype = vtk.VTK_UNSIGNED_CHAR
|
||||
VTKdata = (VTKdata*255).astype(int) # translate to 0..255 UCHAR
|
||||
elif datatype == 'tensor':
|
||||
VTKdata[:,1] = VTKdata[:,3] = 0.5*(VTKdata[:,1]+VTKdata[:,3])
|
||||
VTKdata[:,2] = VTKdata[:,6] = 0.5*(VTKdata[:,2]+VTKdata[:,6])
|
||||
VTKdata[:,5] = VTKdata[:,7] = 0.5*(VTKdata[:,5]+VTKdata[:,7])
|
||||
|
||||
VTKarray[me] = numpy_support.numpy_to_vtk(num_array=VTKdata,deep=True,array_type=VTKtype)
|
||||
VTKarray[me].SetName(me)
|
||||
|
||||
table.close() # close input ASCII table
|
||||
|
||||
# ------------------------------------------ add data ---------------------------------------
|
||||
|
||||
if len(table.data) == Npoints: mode = 'point'
|
||||
elif len(table.data) == Ncells: mode = 'cell'
|
||||
else:
|
||||
damask.util.croak('Data count is incompatible with grid...')
|
||||
continue
|
||||
|
||||
damask.util.croak('{} mode...'.format(mode))
|
||||
|
||||
for datatype,labels in active.items(): # loop over scalar,color
|
||||
if datatype == 'color':
|
||||
if mode == 'cell': rGrid.GetCellData().SetScalars(VTKarray[active['color'][0]])
|
||||
elif mode == 'point': rGrid.GetPointData().SetScalars(VTKarray[active['color'][0]])
|
||||
for me in labels: # loop over all requested items
|
||||
if mode == 'cell': rGrid.GetCellData().AddArray(VTKarray[me])
|
||||
elif mode == 'point': rGrid.GetPointData().AddArray(VTKarray[me])
|
||||
|
||||
rGrid.Modified()
|
||||
if vtk.VTK_MAJOR_VERSION <= 5: rGrid.Update()
|
||||
|
||||
# ------------------------------------------ output result ---------------------------------------
|
||||
|
||||
writer.SetDataModeToBinary()
|
||||
writer.SetCompressorTypeToZLib()
|
||||
if vtk.VTK_MAJOR_VERSION <= 5: writer.SetInput(rGrid)
|
||||
else: writer.SetInputData(rGrid)
|
||||
writer.Write()
|
||||
|
||||
# ------------------------------------------ render result ---------------------------------------
|
||||
|
||||
if options.render:
|
||||
mapper = vtk.vtkDataSetMapper()
|
||||
mapper.SetInputData(rGrid)
|
||||
actor = vtk.vtkActor()
|
||||
actor.SetMapper(mapper)
|
||||
|
||||
# Create the graphics structure. The renderer renders into the
|
||||
# render window. The render window interactor captures mouse events
|
||||
# and will perform appropriate camera or actor manipulation
|
||||
# depending on the nature of the events.
|
||||
|
||||
ren = vtk.vtkRenderer()
|
||||
|
||||
renWin = vtk.vtkRenderWindow()
|
||||
renWin.AddRenderer(ren)
|
||||
|
||||
ren.AddActor(actor)
|
||||
ren.SetBackground(1, 1, 1)
|
||||
renWin.SetSize(200, 200)
|
||||
|
||||
iren = vtk.vtkRenderWindowInteractor()
|
||||
iren.SetRenderWindow(renWin)
|
||||
|
||||
iren.Initialize()
|
||||
renWin.Render()
|
||||
iren.Start()
|
||||
|
|
@ -162,6 +162,7 @@ subroutine CPFEM_init
|
|||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
flush(6)
|
||||
endif mainProcess
|
||||
|
||||
! initialize stress and jacobian to zero
|
||||
|
|
@ -242,8 +243,8 @@ subroutine CPFEM_init
|
|||
write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
|
||||
write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
|
||||
write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver
|
||||
flush(6)
|
||||
endif
|
||||
flush(6)
|
||||
|
||||
end subroutine CPFEM_init
|
||||
|
||||
|
|
|
|||
158
src/CPFEM2.f90
158
src/CPFEM2.f90
|
|
@ -9,7 +9,7 @@ module CPFEM2
|
|||
private
|
||||
|
||||
public :: &
|
||||
CPFEM_general, &
|
||||
CPFEM_age, &
|
||||
CPFEM_initAll
|
||||
|
||||
contains
|
||||
|
|
@ -127,6 +127,7 @@ subroutine CPFEM_init
|
|||
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
flush(6)
|
||||
endif mainProcess
|
||||
|
||||
! *** restore the last converged values of each essential variable from the binary file
|
||||
|
|
@ -194,7 +195,6 @@ subroutine CPFEM_init
|
|||
|
||||
restartRead = .false.
|
||||
endif
|
||||
flush(6)
|
||||
|
||||
end subroutine CPFEM_init
|
||||
|
||||
|
|
@ -202,7 +202,7 @@ end subroutine CPFEM_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief perform initialization at first call, update variables and call the actual material model
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine CPFEM_general(age, dt)
|
||||
subroutine CPFEM_age()
|
||||
use prec, only: &
|
||||
pReal, &
|
||||
pInt
|
||||
|
|
@ -215,7 +215,6 @@ subroutine CPFEM_general(age, dt)
|
|||
debug_levelExtensive, &
|
||||
debug_levelSelective
|
||||
use FEsolving, only: &
|
||||
terminallyIll, &
|
||||
restartWrite
|
||||
use math, only: &
|
||||
math_identity2nd, &
|
||||
|
|
@ -254,114 +253,99 @@ subroutine CPFEM_general(age, dt)
|
|||
crystallite_dPdF, &
|
||||
crystallite_Tstar0_v, &
|
||||
crystallite_Tstar_v
|
||||
use homogenization, only: &
|
||||
materialpoint_stressAndItsTangent, &
|
||||
materialpoint_postResults
|
||||
use IO, only: &
|
||||
IO_write_jobRealFile, &
|
||||
IO_warning
|
||||
use DAMASK_interface
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
logical, intent(in) :: age !< age results
|
||||
|
||||
integer(pInt) :: i, k, l, m, ph, homog, mySource
|
||||
character(len=1024) :: rankStr
|
||||
character(len=32) :: rankStr
|
||||
|
||||
!*** age results and write restart data if requested
|
||||
if (age) then
|
||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
||||
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
||||
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
||||
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
||||
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
||||
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
||||
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> aging states'
|
||||
|
||||
forall ( i = 1:size(plasticState )) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||||
do i = 1, size(sourceState)
|
||||
do mySource = 1,phase_Nsources(i)
|
||||
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lenghty way because: A component cannot be an array if the encompassing structure is an array
|
||||
enddo; enddo
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> aging states'
|
||||
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
|
||||
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
|
||||
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
|
||||
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
|
||||
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
|
||||
crystallite_dPdF0 = crystallite_dPdF ! crystallite stiffness
|
||||
crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress
|
||||
|
||||
do homog = 1_pInt, material_Nhomogenization
|
||||
homogState (homog)%state0 = homogState (homog)%state
|
||||
thermalState (homog)%state0 = thermalState (homog)%state
|
||||
damageState (homog)%state0 = damageState (homog)%state
|
||||
vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
|
||||
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
|
||||
enddo
|
||||
forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
|
||||
|
||||
do i = 1, size(sourceState)
|
||||
do mySource = 1,phase_Nsources(i)
|
||||
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state ! copy state in this lengthy way because: A component cannot be an array if the encompassing structure is an array
|
||||
enddo; enddo
|
||||
|
||||
if (restartWrite) then
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
do homog = 1_pInt, material_Nhomogenization
|
||||
homogState (homog)%state0 = homogState (homog)%state
|
||||
thermalState (homog)%state0 = thermalState (homog)%state
|
||||
damageState (homog)%state0 = damageState (homog)%state
|
||||
vacancyfluxState (homog)%state0 = vacancyfluxState (homog)%state
|
||||
hydrogenfluxState(homog)%state0 = hydrogenfluxState(homog)%state
|
||||
enddo
|
||||
|
||||
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
||||
write (777,rec=1) material_phase
|
||||
close (777)
|
||||
if (restartWrite) then
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
|
||||
write (777,rec=1) crystallite_F0
|
||||
close (777)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
||||
write (777,rec=1) crystallite_Fp0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
|
||||
write (777,rec=1) material_phase; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
||||
write (777,rec=1) crystallite_Fi0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
|
||||
write (777,rec=1) crystallite_F0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
||||
write (777,rec=1) crystallite_Lp0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedFp'//trim(rankStr),size(crystallite_Fp0))
|
||||
write (777,rec=1) crystallite_Fp0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
||||
write (777,rec=1) crystallite_Li0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedFi'//trim(rankStr),size(crystallite_Fi0))
|
||||
write (777,rec=1) crystallite_Fi0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
||||
write (777,rec=1) crystallite_dPdF0
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedLp'//trim(rankStr),size(crystallite_Lp0))
|
||||
write (777,rec=1) crystallite_Lp0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
||||
write (777,rec=1) crystallite_Tstar0_v
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedLi'//trim(rankStr),size(crystallite_Li0))
|
||||
write (777,rec=1) crystallite_Li0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
||||
m = 0_pInt
|
||||
writePlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
|
||||
do k = 1_pInt, plasticState(ph)%sizeState
|
||||
do l = 1, size(plasticState(ph)%state0(1,:))
|
||||
m = m+1_pInt
|
||||
write(777,rec=m) plasticState(ph)%state0(k,l)
|
||||
enddo; enddo
|
||||
enddo writePlasticityInstances
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergeddPdF'//trim(rankStr),size(crystallite_dPdF0))
|
||||
write (777,rec=1) crystallite_dPdF0; close (777)
|
||||
|
||||
call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
|
||||
m = 0_pInt
|
||||
writeHomogInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
do k = 1_pInt, homogState(homog)%sizeState
|
||||
do l = 1, size(homogState(homog)%state0(1,:))
|
||||
m = m+1_pInt
|
||||
write(777,rec=m) homogState(homog)%state0(k,l)
|
||||
enddo; enddo
|
||||
enddo writeHomogInstances
|
||||
close (777)
|
||||
call IO_write_jobRealFile(777,'convergedTstar'//trim(rankStr),size(crystallite_Tstar0_v))
|
||||
write (777,rec=1) crystallite_Tstar0_v; close (777)
|
||||
|
||||
endif
|
||||
endif
|
||||
call IO_write_jobRealFile(777,'convergedStateConst'//trim(rankStr))
|
||||
m = 0_pInt
|
||||
writePlasticityInstances: do ph = 1_pInt, size(phase_plasticity)
|
||||
do k = 1_pInt, plasticState(ph)%sizeState
|
||||
do l = 1, size(plasticState(ph)%state0(1,:))
|
||||
m = m+1_pInt
|
||||
write(777,rec=m) plasticState(ph)%state0(k,l)
|
||||
enddo; enddo
|
||||
enddo writePlasticityInstances
|
||||
close (777)
|
||||
|
||||
if (.not. terminallyIll) &
|
||||
call materialpoint_stressAndItsTangent(.True., dt)
|
||||
call IO_write_jobRealFile(777,'convergedStateHomog'//trim(rankStr))
|
||||
m = 0_pInt
|
||||
writeHomogInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
do k = 1_pInt, homogState(homog)%sizeState
|
||||
do l = 1, size(homogState(homog)%state0(1,:))
|
||||
m = m+1_pInt
|
||||
write(777,rec=m) homogState(homog)%state0(k,l)
|
||||
enddo; enddo
|
||||
enddo writeHomogInstances
|
||||
close (777)
|
||||
|
||||
end subroutine CPFEM_general
|
||||
endif
|
||||
|
||||
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a)') '<< CPFEM >> done aging states'
|
||||
|
||||
end subroutine CPFEM_age
|
||||
|
||||
end module CPFEM2
|
||||
|
|
|
|||
|
|
@ -456,21 +456,21 @@ program DAMASK_spectral
|
|||
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
|
||||
endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loopping over loadcases
|
||||
! looping over loadcases
|
||||
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
time0 = time ! currentLoadCase start time
|
||||
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop oper incs defined in input file for current currentLoadCase
|
||||
! loop over incs defined in input file for current currentLoadCase
|
||||
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
|
||||
totalIncsCounter = totalIncsCounter + 1_pInt
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forwarding time
|
||||
timeIncOld = timeinc
|
||||
timeIncOld = timeinc ! last timeinc that brought former inc to an end
|
||||
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
|
||||
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
|
||||
else
|
||||
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
|
||||
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
|
||||
|
|
@ -486,8 +486,13 @@ program DAMASK_spectral
|
|||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
endif
|
||||
endif
|
||||
<<<<<<< HEAD
|
||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
! QUESTION: what happens to inc-counter when cutbacklevel is not zero? not clear where half an inc gets incremented..?
|
||||
=======
|
||||
timeinc = timeinc / real(subStepFactor,pReal)**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
skipping: if (totalIncsCounter < restartInc) then ! not yet at restart inc?
|
||||
time = time + timeinc ! just advance time, skip already performed calculation
|
||||
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
|
||||
|
|
@ -512,11 +517,11 @@ program DAMASK_spectral
|
|||
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
|
||||
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
|
||||
' of load case ', currentLoadCase,'/',size(loadCases)
|
||||
flush(6)
|
||||
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
|
||||
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
|
||||
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
|
||||
'-',stepFraction, '/', subStepFactor**cutBackLevel
|
||||
flush(6)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! forward fields
|
||||
|
|
@ -545,7 +550,7 @@ program DAMASK_spectral
|
|||
end select
|
||||
|
||||
case(FIELD_THERMAL_ID); call spectral_thermal_forward()
|
||||
case(FIELD_DAMAGE_ID); call spectral_damage_forward()
|
||||
case(FIELD_DAMAGE_ID); call spectral_damage_forward()
|
||||
end select
|
||||
enddo
|
||||
|
||||
|
|
@ -592,6 +597,7 @@ program DAMASK_spectral
|
|||
stagIter = stagIter + 1_pInt
|
||||
stagIterate = stagIter < stagItMax &
|
||||
.and. all(solres(:)%converged) &
|
||||
<<<<<<< HEAD
|
||||
.and. .not. all(solres(:)%stagConverged)
|
||||
enddo
|
||||
|
||||
|
|
@ -622,12 +628,41 @@ program DAMASK_spectral
|
|||
endif
|
||||
|
||||
if (.not. cutBack) then
|
||||
=======
|
||||
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check solution for either advance or retry
|
||||
|
||||
if ( (continueCalculation .or. all(solres(:)%converged .and. solres(:)%stagConverged)) & ! don't care or did converge
|
||||
.and. .not. solres(1)%termIll) then ! and acceptable solution found
|
||||
timeIncOld = timeinc
|
||||
cutBack = .false.
|
||||
guess = .true. ! start guessing after first converged (sub)inc
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
if (worldrank == 0) then
|
||||
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
|
||||
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
|
||||
solres%converged, solres%iterationsNeeded
|
||||
flush(statUnit)
|
||||
endif
|
||||
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
|
||||
cutBack = .true.
|
||||
stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
|
||||
cutBackLevel = cutBackLevel + 1_pInt
|
||||
time = time - timeinc ! rewind time
|
||||
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
|
||||
write(6,'(/,a)') ' cutting back '
|
||||
else ! no more options to continue
|
||||
call IO_warning(850_pInt)
|
||||
call MPI_file_close(resUnit,ierr)
|
||||
close(statUnit)
|
||||
call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! quit and provide information about last restart inc written
|
||||
endif
|
||||
<<<<<<< HEAD
|
||||
=======
|
||||
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
enddo subStepLooping
|
||||
|
||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
||||
|
|
@ -645,9 +680,14 @@ program DAMASK_spectral
|
|||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
if (worldrank == 0) &
|
||||
write(6,'(1/,a)') ' ... writing results to file ......................................'
|
||||
flush(6)
|
||||
call materialpoint_postResults()
|
||||
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
|
||||
<<<<<<< HEAD
|
||||
if (ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
||||
=======
|
||||
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
do i=1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
|
||||
outputIndex=int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, &
|
||||
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
|
||||
|
|
@ -677,6 +717,7 @@ program DAMASK_spectral
|
|||
real(convergedCounter, pReal)/&
|
||||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
flush(6)
|
||||
call MPI_file_close(resUnit,ierr)
|
||||
close(statUnit)
|
||||
|
||||
|
|
|
|||
330
src/IO.f90
330
src/IO.f90
File diff suppressed because it is too large
Load Diff
|
|
@ -190,11 +190,11 @@ subroutine constitutive_init()
|
|||
if (any(phase_kinematics == KINEMATICS_hydrogen_strain_ID)) call kinematics_hydrogen_strain_init(FILEUNIT)
|
||||
close(FILEUNIT)
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write description file for constitutive output
|
||||
call IO_write_jobFile(FILEUNIT,'outputConstitutive')
|
||||
|
|
|
|||
|
|
@ -72,8 +72,6 @@ subroutine damage_local_init(fileUnit)
|
|||
damage, &
|
||||
damage_initialPhi, &
|
||||
material_partHomogenization
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -86,11 +84,9 @@ subroutine damage_local_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(damage_type == DAMAGE_local_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -26,19 +26,15 @@ subroutine damage_none_init()
|
|||
use IO, only: &
|
||||
IO_timeStamp
|
||||
use material
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: &
|
||||
homog, &
|
||||
NofMyHomog
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_none_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_none_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
initializeInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
|
||||
|
|
|
|||
|
|
@ -77,8 +77,6 @@ subroutine damage_nonlocal_init(fileUnit)
|
|||
damage, &
|
||||
damage_initialPhi, &
|
||||
material_partHomogenization
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -91,11 +89,9 @@ subroutine damage_nonlocal_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(damage_type == DAMAGE_nonlocal_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -16,7 +16,7 @@ module homogenization
|
|||
! General variables for the homogenization at a material point
|
||||
implicit none
|
||||
private
|
||||
real(pReal), dimension(:,:,:,:), allocatable, public :: &
|
||||
real(pReal), dimension(:,:,:,:), allocatable, public :: &
|
||||
materialpoint_F0, & !< def grad of IP at start of FE increment
|
||||
materialpoint_F, & !< def grad of IP to be reached at end of FE increment
|
||||
materialpoint_P !< first P--K stress of IP
|
||||
|
|
@ -128,7 +128,7 @@ subroutine homogenization_init
|
|||
integer(pInt), dimension(:) , pointer :: thisNoutput
|
||||
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: knownHomogenization, knownThermal, knownDamage, knownVacancyflux, knownPorosity, knownHydrogenflux
|
||||
logical :: valid
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -199,7 +199,7 @@ subroutine homogenization_init
|
|||
do p = 1,material_Nhomogenization
|
||||
if (any(material_homog == p)) then
|
||||
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
||||
knownHomogenization = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(homogenization_type(p)) ! split per homogenization type
|
||||
case (HOMOGENIZATION_NONE_ID)
|
||||
outputName = HOMOGENIZATION_NONE_label
|
||||
|
|
@ -217,10 +217,10 @@ subroutine homogenization_init
|
|||
thisOutput => homogenization_RGC_output
|
||||
thisSize => homogenization_RGC_sizePostResult
|
||||
case default
|
||||
knownHomogenization = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
||||
if (knownHomogenization) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(type)'//char(9)//trim(outputName)
|
||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||
if (homogenization_type(p) /= HOMOGENIZATION_NONE_ID) then
|
||||
|
|
@ -230,7 +230,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = thermal_typeInstance(p) ! which instance of this thermal type
|
||||
knownThermal = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(thermal_type(p)) ! split per thermal type
|
||||
case (THERMAL_isothermal_ID)
|
||||
outputName = THERMAL_isothermal_label
|
||||
|
|
@ -248,9 +248,9 @@ subroutine homogenization_init
|
|||
thisOutput => thermal_conduction_output
|
||||
thisSize => thermal_conduction_sizePostResult
|
||||
case default
|
||||
knownThermal = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownThermal) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(thermal)'//char(9)//trim(outputName)
|
||||
if (thermal_type(p) /= THERMAL_isothermal_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -259,7 +259,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = damage_typeInstance(p) ! which instance of this damage type
|
||||
knownDamage = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(damage_type(p)) ! split per damage type
|
||||
case (DAMAGE_none_ID)
|
||||
outputName = DAMAGE_none_label
|
||||
|
|
@ -277,9 +277,9 @@ subroutine homogenization_init
|
|||
thisOutput => damage_nonlocal_output
|
||||
thisSize => damage_nonlocal_sizePostResult
|
||||
case default
|
||||
knownDamage = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownDamage) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(damage)'//char(9)//trim(outputName)
|
||||
if (damage_type(p) /= DAMAGE_none_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -288,7 +288,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = vacancyflux_typeInstance(p) ! which instance of this vacancy flux type
|
||||
knownVacancyflux = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(vacancyflux_type(p)) ! split per vacancy flux type
|
||||
case (VACANCYFLUX_isoconc_ID)
|
||||
outputName = VACANCYFLUX_isoconc_label
|
||||
|
|
@ -306,9 +306,9 @@ subroutine homogenization_init
|
|||
thisOutput => vacancyflux_cahnhilliard_output
|
||||
thisSize => vacancyflux_cahnhilliard_sizePostResult
|
||||
case default
|
||||
knownVacancyflux = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownVacancyflux) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(vacancyflux)'//char(9)//trim(outputName)
|
||||
if (vacancyflux_type(p) /= VACANCYFLUX_isoconc_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -317,7 +317,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = porosity_typeInstance(p) ! which instance of this porosity type
|
||||
knownPorosity = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(porosity_type(p)) ! split per porosity type
|
||||
case (POROSITY_none_ID)
|
||||
outputName = POROSITY_none_label
|
||||
|
|
@ -330,9 +330,9 @@ subroutine homogenization_init
|
|||
thisOutput => porosity_phasefield_output
|
||||
thisSize => porosity_phasefield_sizePostResult
|
||||
case default
|
||||
knownPorosity = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownPorosity) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(porosity)'//char(9)//trim(outputName)
|
||||
if (porosity_type(p) /= POROSITY_none_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
@ -341,7 +341,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
endif
|
||||
i = hydrogenflux_typeInstance(p) ! which instance of this hydrogen flux type
|
||||
knownHydrogenflux = .true. ! assume valid
|
||||
valid = .true. ! assume valid
|
||||
select case(hydrogenflux_type(p)) ! split per hydrogen flux type
|
||||
case (HYDROGENFLUX_isoconc_ID)
|
||||
outputName = HYDROGENFLUX_isoconc_label
|
||||
|
|
@ -354,9 +354,9 @@ subroutine homogenization_init
|
|||
thisOutput => hydrogenflux_cahnhilliard_output
|
||||
thisSize => hydrogenflux_cahnhilliard_sizePostResult
|
||||
case default
|
||||
knownHydrogenflux = .false.
|
||||
valid = .false.
|
||||
end select
|
||||
if (knownHydrogenflux) then
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(hydrogenflux)'//char(9)//trim(outputName)
|
||||
if (hydrogenflux_type(p) /= HYDROGENFLUX_isoconc_ID) then
|
||||
do e = 1,thisNoutput(i)
|
||||
|
|
|
|||
|
|
@ -100,8 +100,6 @@ subroutine homogenization_RGC_init(fileUnit)
|
|||
FE_geomtype
|
||||
use IO
|
||||
use material
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit !< file pointer to material configuration
|
||||
|
|
@ -117,11 +115,9 @@ subroutine homogenization_RGC_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(homogenization_type == HOMOGENIZATION_RGC_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -62,8 +62,6 @@ subroutine homogenization_isostrain_init(fileUnit)
|
|||
debug_levelBasic
|
||||
use IO
|
||||
use material
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -80,11 +78,9 @@ subroutine homogenization_isostrain_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_ISOSTRAIN_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_ISOSTRAIN_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
|
||||
if (maxNinstance == 0) return
|
||||
|
|
|
|||
|
|
@ -29,21 +29,17 @@ subroutine homogenization_none_init()
|
|||
use IO, only: &
|
||||
IO_timeStamp
|
||||
use material
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: &
|
||||
homog, &
|
||||
NofMyHomog
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
initializeInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
initializeInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
|
||||
myhomog: if (homogenization_type(homog) == HOMOGENIZATION_none_ID) then
|
||||
NofMyHomog = count(material_homog == homog)
|
||||
|
|
|
|||
|
|
@ -84,8 +84,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
|
|||
hydrogenflux_initialCh, &
|
||||
material_partHomogenization, &
|
||||
material_partPhase
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -98,11 +96,9 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_cahnhilliard_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_cahnhilliard_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(hydrogenflux_type == HYDROGENFLUX_cahnhilliard_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -27,21 +27,17 @@ subroutine hydrogenflux_isoconc_init()
|
|||
use IO, only: &
|
||||
IO_timeStamp
|
||||
use material
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt) :: &
|
||||
homog, &
|
||||
NofMyHomog
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_isoconc_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_isoconc_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
initializeInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
initializeInstances: do homog = 1_pInt, material_Nhomogenization
|
||||
|
||||
myhomog: if (hydrogenflux_type(homog) == HYDROGENFLUX_isoconc_ID) then
|
||||
NofMyHomog = count(material_homog == homog)
|
||||
|
|
|
|||
|
|
@ -81,8 +81,6 @@ subroutine kinematics_cleavage_opening_init(fileUnit)
|
|||
KINEMATICS_cleavage_opening_ID, &
|
||||
material_Nphase, &
|
||||
MATERIAL_partPhase
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
use lattice, only: &
|
||||
lattice_maxNcleavageFamily, &
|
||||
lattice_NcleavageSystem
|
||||
|
|
@ -97,11 +95,9 @@ subroutine kinematics_cleavage_opening_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(phase_kinematics == KINEMATICS_cleavage_opening_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -81,8 +81,6 @@ subroutine kinematics_slipplane_opening_init(fileUnit)
|
|||
KINEMATICS_slipplane_opening_ID, &
|
||||
material_Nphase, &
|
||||
MATERIAL_partPhase
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
use lattice, only: &
|
||||
lattice_maxNslipFamily, &
|
||||
lattice_NslipSystem
|
||||
|
|
@ -97,11 +95,9 @@ subroutine kinematics_slipplane_opening_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(phase_kinematics == KINEMATICS_slipplane_opening_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -71,8 +71,6 @@ subroutine kinematics_thermal_expansion_init(fileUnit)
|
|||
KINEMATICS_thermal_expansion_ID, &
|
||||
material_Nphase, &
|
||||
MATERIAL_partPhase
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -83,11 +81,9 @@ subroutine kinematics_thermal_expansion_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(phase_kinematics == KINEMATICS_thermal_expansion_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -71,8 +71,6 @@ subroutine kinematics_vacancy_strain_init(fileUnit)
|
|||
KINEMATICS_vacancy_strain_ID, &
|
||||
material_Nphase, &
|
||||
MATERIAL_partPhase
|
||||
use numerics,only: &
|
||||
worldrank
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: fileUnit
|
||||
|
|
@ -83,11 +81,9 @@ subroutine kinematics_vacancy_strain_init(fileUnit)
|
|||
tag = '', &
|
||||
line = ''
|
||||
|
||||
mainProcess: if (worldrank == 0) then
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_vacancy_strain_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_vacancy_strain_LABEL//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
endif mainProcess
|
||||
|
||||
maxNinstance = int(count(phase_kinematics == KINEMATICS_vacancy_strain_ID),pInt)
|
||||
if (maxNinstance == 0_pInt) return
|
||||
|
|
|
|||
|
|
@ -96,19 +96,19 @@ module lattice
|
|||
|
||||
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
|
||||
LATTICE_fcc_systemSlip = reshape(real([&
|
||||
! Slip direction Plane normal
|
||||
0, 1,-1, 1, 1, 1, &
|
||||
-1, 0, 1, 1, 1, 1, &
|
||||
1,-1, 0, 1, 1, 1, &
|
||||
0,-1,-1, -1,-1, 1, &
|
||||
1, 0, 1, -1,-1, 1, &
|
||||
-1, 1, 0, -1,-1, 1, &
|
||||
0,-1, 1, 1,-1,-1, &
|
||||
-1, 0,-1, 1,-1,-1, &
|
||||
1, 1, 0, 1,-1,-1, &
|
||||
0, 1, 1, -1, 1,-1, &
|
||||
1, 0,-1, -1, 1,-1, &
|
||||
-1,-1, 0, -1, 1,-1 &
|
||||
! Slip direction Plane normal ! SCHMID-BOAS notation
|
||||
0, 1,-1, 1, 1, 1, & ! B2
|
||||
-1, 0, 1, 1, 1, 1, & ! B4
|
||||
1,-1, 0, 1, 1, 1, & ! B5
|
||||
0,-1,-1, -1,-1, 1, & ! C1
|
||||
1, 0, 1, -1,-1, 1, & ! C3
|
||||
-1, 1, 0, -1,-1, 1, & ! C5
|
||||
0,-1, 1, 1,-1,-1, & ! A2
|
||||
-1, 0,-1, 1,-1,-1, & ! A3
|
||||
1, 1, 0, 1,-1,-1, & ! A6
|
||||
0, 1, 1, -1, 1,-1, & ! D1
|
||||
1, 0,-1, -1, 1,-1, & ! D4
|
||||
-1,-1, 0, -1, 1,-1 & ! D6
|
||||
],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Nslip]) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_fcc_Ntwin), parameter, private :: &
|
||||
|
|
|
|||
|
|
@ -178,7 +178,7 @@ subroutine math_init
|
|||
compiler_version, &
|
||||
compiler_options
|
||||
#endif
|
||||
use numerics, only: fixedSeed
|
||||
use numerics, only: randomSeed
|
||||
use IO, only: IO_timeStamp
|
||||
|
||||
implicit none
|
||||
|
|
@ -195,8 +195,8 @@ subroutine math_init
|
|||
call random_seed(size=randSize)
|
||||
if (allocated(randInit)) deallocate(randInit)
|
||||
allocate(randInit(randSize))
|
||||
if (fixedSeed > 0_pInt) then
|
||||
randInit(1:randSize) = int(fixedSeed) ! fixedSeed is of type pInt, randInit not
|
||||
if (randomSeed > 0_pInt) then
|
||||
randInit(1:randSize) = int(randomSeed) ! randomSeed is of type pInt, randInit not
|
||||
call random_seed(put=randInit)
|
||||
else
|
||||
call random_seed()
|
||||
|
|
|
|||
840
src/mesh.f90
840
src/mesh.f90
File diff suppressed because it is too large
Load Diff
|
|
@ -25,7 +25,7 @@ module numerics
|
|||
nState = 10_pInt, & !< state loop limit
|
||||
nStress = 40_pInt, & !< stress loop limit
|
||||
pert_method = 1_pInt, & !< method used in perturbation technique for tangent
|
||||
fixedSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
||||
randomSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
||||
worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only)
|
||||
worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only)
|
||||
integer(4), protected, public :: &
|
||||
|
|
@ -120,9 +120,9 @@ module numerics
|
|||
petsc_options = ''
|
||||
integer(pInt), protected, public :: &
|
||||
fftw_planner_flag = 32_pInt, & !< conversion of fftw_plan_mode to integer, basically what is usually done in the include file of fftw
|
||||
continueCalculation = 0_pInt, & !< 0: exit if BVP solver does not converge, 1: continue calculation if BVP solver does not converge
|
||||
divergence_correction = 2_pInt !< correct divergence calculation in fourier space 0: no correction, 1: size scaled to 1, 2: size scaled to Npoints
|
||||
logical, protected, public :: &
|
||||
continueCalculation = .false., & !< false:exit if BVP solver does not converge, true: continue calculation despite BVP solver not converging
|
||||
memory_efficient = .true., & !< for fast execution (pre calculation of gamma_hat), Default .true.: do not precalculate
|
||||
update_gamma = .false. !< update gamma operator with current stiffness, Default .false.: use initial stiffness
|
||||
#endif
|
||||
|
|
@ -359,8 +359,8 @@ subroutine numerics_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! random seeding parameter
|
||||
case ('fixed_seed')
|
||||
fixedSeed = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('random_seed','fixed_seed')
|
||||
randomSeed = IO_intValue(line,chunkPos,2_pInt)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! gradient parameter
|
||||
|
|
@ -424,9 +424,9 @@ subroutine numerics_init
|
|||
case ('err_stress_tolabs')
|
||||
err_stress_tolabs = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('continuecalculation')
|
||||
continueCalculation = IO_intValue(line,chunkPos,2_pInt)
|
||||
continueCalculation = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||
case ('memory_efficient')
|
||||
memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||
memory_efficient = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||
case ('fftw_timelimit')
|
||||
fftw_timelimit = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('fftw_plan_mode')
|
||||
|
|
@ -436,7 +436,7 @@ subroutine numerics_init
|
|||
case ('divergence_correction')
|
||||
divergence_correction = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('update_gamma')
|
||||
update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||
update_gamma = IO_intValue(line,chunkPos,2_pInt) > 0_pInt
|
||||
case ('petsc_options')
|
||||
petsc_options = trim(line(chunkPos(4):))
|
||||
case ('spectralsolver','myspectralsolver')
|
||||
|
|
@ -560,9 +560,9 @@ subroutine numerics_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! Random seeding parameter
|
||||
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
|
||||
if (fixedSeed <= 0_pInt) &
|
||||
write(6,'(a,/)') ' No fixed Seed: Random is random!'
|
||||
write(6,'(a24,1x,i16,/)') ' random_seed: ',randomSeed
|
||||
if (randomSeed <= 0_pInt) &
|
||||
write(6,'(a,/)') ' random seed will be generated!'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! gradient parameter
|
||||
|
|
@ -599,7 +599,7 @@ subroutine numerics_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! spectral parameters
|
||||
#ifdef Spectral
|
||||
write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation
|
||||
write(6,'(a24,1x,L8)') ' continueCalculation: ',continueCalculation
|
||||
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
|
||||
write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction
|
||||
write(6,'(a24,1x,a)') ' spectral_derivative: ',trim(spectral_derivative)
|
||||
|
|
@ -698,8 +698,6 @@ subroutine numerics_init
|
|||
if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs')
|
||||
if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
|
||||
#ifdef Spectral
|
||||
if (continueCalculation /= 0_pInt .and. &
|
||||
continueCalculation /= 1_pInt) call IO_error(301_pInt,ext_msg='continueCalculation')
|
||||
if (divergence_correction < 0_pInt .or. &
|
||||
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')
|
||||
if (update_gamma .and. &
|
||||
|
|
@ -713,7 +711,7 @@ subroutine numerics_init
|
|||
if (polarAlpha <= 0.0_pReal .or. &
|
||||
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')
|
||||
if (polarBeta < 0.0_pReal .or. &
|
||||
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
|
||||
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
|
||||
#endif
|
||||
|
||||
end subroutine numerics_init
|
||||
|
|
|
|||
|
|
@ -1178,7 +1178,7 @@ end subroutine plastic_disloUCLA_dotState
|
|||
function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el)
|
||||
use prec, only: &
|
||||
tol_math_check, &
|
||||
dEq
|
||||
dEq, dNeq0
|
||||
use math, only: &
|
||||
pi
|
||||
use material, only: &
|
||||
|
|
@ -1445,9 +1445,13 @@ function plastic_disloUCLA_postResults(Tstar_v,Temperature,ipc,ip,el)
|
|||
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family
|
||||
slipSystems2: do i = 1_pInt,plastic_disloUCLA_Nslip(f,instance)
|
||||
j = j + 1_pInt
|
||||
if (dNeq0(abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph))))) then
|
||||
plastic_disloUCLA_postResults(c+j) = &
|
||||
(3.0_pReal*lattice_mu(ph)*plastic_disloUCLA_burgersPerSlipSystem(j,instance))/&
|
||||
(16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph))))
|
||||
else
|
||||
plastic_disloUCLA_postResults(c+j) = huge(1.0_pReal)
|
||||
endif
|
||||
plastic_disloUCLA_postResults(c+j)=min(plastic_disloUCLA_postResults(c+j),&
|
||||
state(instance)%mfp_slip(j,of))
|
||||
enddo slipSystems2; enddo slipFamilies2
|
||||
|
|
|
|||
|
|
@ -1029,7 +1029,7 @@ subroutine plastic_dislotwin_init(fileUnit)
|
|||
do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt
|
||||
plastic_dislotwin_Ctwin3333(l,m,n,o,index_myFamily+j,instance) = &
|
||||
plastic_dislotwin_Ctwin3333(l,m,n,o,index_myFamily+j,instance) + &
|
||||
lattice_C3333(p,q,r,s,instance) * &
|
||||
lattice_C3333(p,q,r,s,phase) * &
|
||||
lattice_Qtwin(l,p,index_otherFamily+j,phase) * &
|
||||
lattice_Qtwin(m,q,index_otherFamily+j,phase) * &
|
||||
lattice_Qtwin(n,r,index_otherFamily+j,phase) * &
|
||||
|
|
@ -1087,7 +1087,7 @@ subroutine plastic_dislotwin_init(fileUnit)
|
|||
do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt
|
||||
plastic_dislotwin_Ctrans3333(l,m,n,o,index_myFamily+j,instance) = &
|
||||
plastic_dislotwin_Ctrans3333(l,m,n,o,index_myFamily+j,instance) + &
|
||||
lattice_trans_C3333(p,q,r,s,instance) * &
|
||||
lattice_trans_C3333(p,q,r,s,phase) * &
|
||||
lattice_Qtrans(l,p,index_otherFamily+j,phase) * &
|
||||
lattice_Qtrans(m,q,index_otherFamily+j,phase) * &
|
||||
lattice_Qtrans(n,r,index_otherFamily+j,phase) * &
|
||||
|
|
|
|||
20
src/prec.f90
20
src/prec.f90
|
|
@ -137,6 +137,7 @@ end subroutine prec_init
|
|||
!> @brief equality comparison for float with double precision
|
||||
! replaces "==" but for certain (relative) tolerance. Counterpart to dNeq
|
||||
! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
|
||||
! AlmostEqualRelative
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dEq(a,b,tol)
|
||||
|
||||
|
|
@ -153,6 +154,7 @@ end function dEq
|
|||
!> @brief inequality comparison for float with double precision
|
||||
! replaces "!=" but for certain (relative) tolerance. Counterpart to dEq
|
||||
! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
|
||||
! AlmostEqualRelative NOT
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dNeq(a,b,tol)
|
||||
|
||||
|
|
@ -167,33 +169,35 @@ end function dNeq
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief equality to 0 comparison for float with double precision
|
||||
! replaces "==0" but for certain (absolute) tolerance. Counterpart to dNeq0
|
||||
! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
|
||||
! replaces "==0" but everything not representable as a normal number is treated as 0. Counterpart to dNeq0
|
||||
! https://de.mathworks.com/help/matlab/ref/realmin.html
|
||||
! https://docs.oracle.com/cd/E19957-01/806-3568/ncg_math.html
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dEq0(a,tol)
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: a
|
||||
real(pReal), intent(in), optional :: tol
|
||||
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
|
||||
real(pReal), parameter :: eps = 2.2250738585072014E-308 ! smallest non-denormalized number
|
||||
|
||||
dEq0 = merge(.True., .False.,abs(a) <= merge(tol,eps,present(tol))*10.0_pReal)
|
||||
dEq0 = merge(.True., .False.,abs(a) <= merge(tol,eps,present(tol)))
|
||||
end function dEq0
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief inequality to 0 comparison for float with double precision
|
||||
! replaces "!=0" but for certain (absolute) tolerance. Counterpart to dEq0
|
||||
! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
|
||||
! replaces "!=0" but everything not representable as a normal number is treated as 0. Counterpart to dEq0
|
||||
! https://de.mathworks.com/help/matlab/ref/realmin.html
|
||||
! https://docs.oracle.com/cd/E19957-01/806-3568/ncg_math.html
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical elemental pure function dNeq0(a,tol)
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: a
|
||||
real(pReal), intent(in), optional :: tol
|
||||
real(pReal), parameter :: eps = 2.220446049250313E-16 ! DBL_EPSILON in C
|
||||
real(pReal), parameter :: eps = 2.2250738585072014E-308 ! smallest non-denormalized number
|
||||
|
||||
dNeq0 = merge(.False., .True.,abs(a) <= merge(tol,eps,present(tol))*10.0_pReal)
|
||||
dNeq0 = merge(.False., .True.,abs(a) <= merge(tol,eps,present(tol)))
|
||||
end function dNeq0
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -213,8 +213,9 @@ subroutine AL_init
|
|||
endif restart
|
||||
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, &
|
||||
reshape(F,shape(F_lastInc)), 0.0_pReal, math_I3)
|
||||
|
||||
nullify(F)
|
||||
nullify(F_lambda)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
|
@ -364,12 +365,10 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
DMDALocalInfo, dimension(&
|
||||
DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
|
||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||
F, &
|
||||
F_lambda, &
|
||||
|
|
@ -441,8 +440,9 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
P_avLastEval = P_av
|
||||
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_lambda/polarBeta,params%timeinc, &
|
||||
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
|
||||
|
||||
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
||||
F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
ForwardData = .False.
|
||||
|
||||
|
|
@ -655,10 +655,12 @@ subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stre
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
call utilities_updateIPcoords(F)
|
||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]))
|
||||
F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]))
|
||||
Fdot = Utilities_calculateRate(guess, &
|
||||
F_lastInc, reshape(F, [3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
math_rotate_backward33(f_aimDot,rotation_BC))
|
||||
F_lambdaDot = Utilities_calculateRate(guess, &
|
||||
F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
math_rotate_backward33(f_aimDot,rotation_BC))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
||||
F_lambda_lastInc = reshape(F_lambda,[3,3,grid(1),grid(2),grid3])
|
||||
endif
|
||||
|
|
|
|||
|
|
@ -39,16 +39,16 @@ module spectral_mech_basic
|
|||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aim = math_I3, &
|
||||
F_aim_lastIter = math_I3, &
|
||||
F_aim_lastInc = math_I3, &
|
||||
P_av = 0.0_pReal, &
|
||||
F_aimDot=0.0_pReal
|
||||
F_aimDot = 0.0_pReal
|
||||
character(len=1024), private :: incInfo
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
real(pReal), private :: err_stress, err_div
|
||||
logical, private :: ForwardData
|
||||
integer(pInt), private :: &
|
||||
|
|
@ -69,7 +69,7 @@ module spectral_mech_basic
|
|||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info
|
||||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine basicPETSc_init
|
||||
#ifdef __GFORTRAN__
|
||||
|
|
@ -90,6 +90,8 @@ subroutine basicPETSc_init
|
|||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use spectral_utilities, only: &
|
||||
|
|
@ -172,14 +174,11 @@ subroutine basicPETSc_init
|
|||
flush(6)
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F))
|
||||
read (777,rec=1) F
|
||||
close (777)
|
||||
read (777,rec=1) F; close (777)
|
||||
call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc))
|
||||
read (777,rec=1) F_lastInc
|
||||
close (777)
|
||||
read (777,rec=1) F_lastInc; close (777)
|
||||
call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(f_aimDot))
|
||||
read (777,rec=1) f_aimDot
|
||||
close (777)
|
||||
read (777,rec=1) f_aimDot; close (777)
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
elseif (restartInc == 1_pInt) then restart
|
||||
|
|
@ -187,34 +186,29 @@ subroutine basicPETSc_init
|
|||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
endif restart
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal, &
|
||||
P, &
|
||||
C_volAvg,C_minMaxAvg, & ! global average of stiffness and (min+max)/2
|
||||
temp33_Real, &
|
||||
.false., &
|
||||
math_I3)
|
||||
call Utilities_constitutiveResponse(P, temp33_Real, C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal, & ! time increment
|
||||
math_I3) ! no rotation of boundary condition
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
! QUESTION: why not writing back right after reading (l.189)?
|
||||
|
||||
restartRead: if (restartInc > 1_pInt) then ! QUESTION: are those values not calc'ed by constitutiveResponse? why reading from file?
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
|
||||
'reading more values of increment', restartInc - 1_pInt, 'from file'
|
||||
'reading more values of increment', restartInc-1_pInt, 'from file'
|
||||
flush(6)
|
||||
call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg))
|
||||
read (777,rec=1) C_volAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvg; close (777)
|
||||
call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc))
|
||||
read (777,rec=1) C_volAvgLastInc
|
||||
close (777)
|
||||
read (777,rec=1) C_volAvgLastInc; close (777)
|
||||
call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg))
|
||||
read (777,rec=1) C_minMaxAvg
|
||||
close (777)
|
||||
read (777,rec=1) C_minMaxAvg; close (777)
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minmaxAvg,.True.)
|
||||
call Utilities_updateGamma(C_minmaxAvg,.true.)
|
||||
|
||||
end subroutine basicPETSc_init
|
||||
|
||||
|
|
@ -238,13 +232,13 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old !< increment in time of last increment
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC
|
||||
character(len=*), intent(in) :: &
|
||||
incInfoIn
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< increment time for current solution
|
||||
timeinc_old !< increment time of last successful increment
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -279,13 +273,19 @@ type(tSolutionState) function basicPETSc_solution(incInfoIn,timeinc,timeinc_old,
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr)
|
||||
CHKERRQ(ierr)
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
BasicPETSc_solution%converged = reason > 0
|
||||
basicPETSC_solution%iterationsNeeded = totalIter
|
||||
basicPETSc_solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
<<<<<<< HEAD
|
||||
if (reason == -4) call IO_error(893_pInt)
|
||||
BasicPETSc_solution%converged = reason > 0
|
||||
basicPETSC_solution%iterationsNeeded = totalIter
|
||||
=======
|
||||
if (reason == -4) call IO_error(893_pInt) ! MPI error
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
|
||||
end function BasicPETSc_solution
|
||||
|
||||
|
|
@ -321,19 +321,18 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
terminallyIll
|
||||
|
||||
implicit none
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, dimension(3,3, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, dimension(3,3, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||
PetscScalar, &
|
||||
dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this?
|
||||
PetscScalar, &
|
||||
dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this?
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
nfuncs
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
real(pReal), dimension(3,3) :: &
|
||||
deltaF_aim
|
||||
|
||||
external :: &
|
||||
SNESGetNumberFunctionEvals, &
|
||||
|
|
@ -343,45 +342,48 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
<<<<<<< HEAD
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
=======
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new iteration
|
||||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1_pInt
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
|
||||
' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim (lab) =', &
|
||||
math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' deformation gradient aim =', &
|
||||
math_transpose33(F_aim)
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', math_transpose33(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
call Utilities_constitutiveResponse(F_lastInc,x_scal,params%timeinc, &
|
||||
f_scal,C_volAvg,C_minmaxAvg,P_av,ForwardData,params%rotation_BC)
|
||||
call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minmaxAvg, &
|
||||
x_scal,params%timeinc, params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
ForwardData = .false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
F_aim_lastIter = F_aim
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||
err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 for no bc
|
||||
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||
F_aim = F_aim - deltaF_aim
|
||||
err_stress = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updated deformation gradient using fix point algorithm of basic scheme
|
||||
tensorField_real = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal
|
||||
call utilities_FFTtensorForward()
|
||||
err_div = Utilities_divergenceRMS()
|
||||
call utilities_fourierGammaConvolution(math_rotate_backward33(F_aim_lastIter-F_aim,params%rotation_BC))
|
||||
call utilities_FFTtensorBackward()
|
||||
call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real"
|
||||
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier
|
||||
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
|
||||
call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3)
|
||||
f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
|
||||
|
||||
end subroutine BasicPETSc_formResidual
|
||||
|
||||
|
|
@ -442,8 +444,11 @@ end subroutine BasicPETSc_converged
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwarding routine
|
||||
!> @details find new boundary conditions and best F estimate for end of current timestep
|
||||
!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC)
|
||||
<<<<<<< HEAD
|
||||
use math, only: &
|
||||
math_mul33x33 ,&
|
||||
math_rotate_backward33
|
||||
|
|
@ -542,6 +547,118 @@ subroutine BasicPETSc_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation
|
|||
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
=======
|
||||
use math, only: &
|
||||
math_mul33x33 ,&
|
||||
math_rotate_backward33
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use CPFEM2, only: &
|
||||
CPFEM_age
|
||||
use spectral_utilities, only: &
|
||||
Utilities_calculateRate, &
|
||||
Utilities_forwardField, &
|
||||
Utilities_updateIPcoords, &
|
||||
tBoundaryCondition, &
|
||||
cutBack
|
||||
use IO, only: &
|
||||
IO_write_JobRealFile
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
|
||||
implicit none
|
||||
logical, intent(in) :: &
|
||||
guess
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old, &
|
||||
timeinc, &
|
||||
loadCaseTime !< remaining time of current load case
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC, &
|
||||
deformation_BC
|
||||
real(pReal), dimension(3,3), intent(in) ::&
|
||||
rotation_BC
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer :: F(:,:,:,:)
|
||||
|
||||
character(len=32) :: rankStr
|
||||
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (cutBack) then
|
||||
C_volAvg = C_volAvgLastInc ! QUESTION: where is this required?
|
||||
C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required?
|
||||
else
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restart information for spectral solver
|
||||
if (restartWrite) then ! QUESTION: where is this logical properly set?
|
||||
write(6,'(/,a)') ' writing converged results for restart'
|
||||
flush(6)
|
||||
|
||||
if (worldrank == 0_pInt) then
|
||||
call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg))
|
||||
write (777,rec=1) C_volAvg; close(777)
|
||||
call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc))
|
||||
write (777,rec=1) C_volAvgLastInc; close(777)
|
||||
call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg))
|
||||
write (777,rec=1) C_minMaxAvg; close(777)
|
||||
call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc))
|
||||
write (777,rec=1) C_minMaxAvgLastInc; close(777)
|
||||
endif
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file
|
||||
write (777,rec=1) F; close (777)
|
||||
call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file
|
||||
write (777,rec=1) F_lastInc; close (777)
|
||||
endif
|
||||
|
||||
call CPFEM_age() ! age state and kinematics
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
C_volAvgLastInc = C_volAvg
|
||||
C_minMaxAvgLastInc = C_minMaxAvg
|
||||
|
||||
if (guess) then ! QUESTION: better with a = L ? x:y
|
||||
F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc
|
||||
else
|
||||
F_aimDot = 0.0_pReal
|
||||
endif
|
||||
F_aim_lastInc = F_aim
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate rate for aim
|
||||
if (deformation_BC%myType=='l') then ! calculate f_aimDot from given L and current F
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc)
|
||||
elseif(deformation_BC%myType=='fdot') then ! f_aimDot is prescribed
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * deformation_BC%values
|
||||
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
|
||||
F_aimDot = &
|
||||
F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime
|
||||
endif
|
||||
|
||||
|
||||
Fdot = Utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
math_rotate_backward33(f_aimDot,rotation_BC))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + f_aimDot * timeinc
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
math_rotate_backward33(F_aim,rotation_BC)),[9,grid(1),grid(2),grid3])
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
end subroutine BasicPETSc_forward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -213,8 +213,8 @@ subroutine Polarisation_init
|
|||
endif restart
|
||||
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
|
||||
0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, &
|
||||
reshape(F,shape(F_lastInc)),0.0_pReal,math_I3)
|
||||
nullify(F)
|
||||
nullify(F_tau)
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,xx_psc,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
|
|
@ -364,12 +364,10 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
DMDALocalInfo, dimension(&
|
||||
DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, target, dimension(3,3,2, &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal
|
||||
PetscScalar, &
|
||||
target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal
|
||||
PetscScalar, pointer, dimension(:,:,:,:,:) :: &
|
||||
F, &
|
||||
F_tau, &
|
||||
|
|
@ -440,8 +438,8 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
P_avLastEval = P_av
|
||||
call Utilities_constitutiveResponse(F_lastInc,F - residual_F_tau/polarBeta,params%timeinc, &
|
||||
residual_F,C_volAvg,C_minMaxAvg,P_av,ForwardData,params%rotation_BC)
|
||||
call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, &
|
||||
F - residual_F_tau/polarBeta,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
ForwardData = .False.
|
||||
|
||||
|
|
@ -654,13 +652,13 @@ subroutine Polarisation_forward(guess,timeinc,timeinc_old,loadCaseTime,deformati
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! update coordinates and rate and forward last inc
|
||||
call utilities_updateIPcoords(F)
|
||||
Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_lastInc, &
|
||||
reshape(F,[3,3,grid(1),grid(2),grid3]))
|
||||
F_tauDot = Utilities_calculateRate(math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC), &
|
||||
timeinc_old,guess,F_tau_lastInc, &
|
||||
reshape(F_tau,[3,3,grid(1),grid(2),grid3]))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
||||
Fdot = Utilities_calculateRate(guess, &
|
||||
F_lastInc, reshape(F, [3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
math_rotate_backward33( f_aimDot,rotation_BC))
|
||||
F_tauDot = Utilities_calculateRate(guess, &
|
||||
F_tau_lastInc, reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
math_rotate_backward33(2.0_pReal*f_aimDot,rotation_BC))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
||||
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
|
||||
endif
|
||||
|
||||
|
|
|
|||
|
|
@ -16,7 +16,7 @@ module spectral_utilities
|
|||
#include <petsc/finclude/petscsys.h>
|
||||
include 'fftw3-mpi.f03'
|
||||
|
||||
logical, public :: cutBack =.false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
||||
logical, public :: cutBack = .false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
||||
integer(pInt), public, parameter :: maxPhaseFields = 2_pInt
|
||||
integer(pInt), public :: nActiveFields = 0_pInt
|
||||
|
||||
|
|
@ -799,7 +799,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
|
||||
call math_invert(size_reduced, c_reduced, s_reduced, errmatinv) ! invert reduced stiffness
|
||||
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
|
||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||
if (errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||
temp99_Real = 0.0_pReal ! fill up compliance with zeros
|
||||
k = 0_pInt
|
||||
do n = 1_pInt,9_pInt
|
||||
|
|
@ -817,28 +817,41 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
do m=1_pInt, size_reduced
|
||||
do n=1_pInt, size_reduced
|
||||
if(m==n .and. abs(sTimesC(m,n)) > (1.0_pReal + 10.0e-12_pReal)) errmatinv = .true. ! diagonal elements of S*C should be 1
|
||||
if(m/=n .and. abs(sTimesC(m,n)) > (0.0_pReal + 10.0e-12_pReal)) errmatinv = .true. ! off diagonal elements of S*C should be 0
|
||||
errmatinv = errmatinv &
|
||||
.or. (m==n .and. abs(sTimesC(m,n)-1.0_pReal) > 1.0e-12_pReal) & ! diagonal elements of S*C should be 1
|
||||
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
|
||||
enddo
|
||||
enddo
|
||||
<<<<<<< HEAD
|
||||
if(debugGeneral .or. errmatinv) then
|
||||
=======
|
||||
if (debugGeneral .or. errmatinv) then
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
write(6,trim(formatString),advance='no') ' C * S (load) ', &
|
||||
transpose(matmul(c_reduced,s_reduced))
|
||||
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
|
||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||
endif
|
||||
if(errmatinv) call IO_error(error_ID=400_pInt,ext_msg='utilities_maskedCompliance')
|
||||
deallocate(c_reduced)
|
||||
deallocate(s_reduced)
|
||||
deallocate(sTimesC)
|
||||
else
|
||||
temp99_real = 0.0_pReal
|
||||
endif
|
||||
<<<<<<< HEAD
|
||||
if(debugGeneral) &
|
||||
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') ' Masked Compliance (load) / GPa =', &
|
||||
transpose(temp99_Real*1.e9_pReal)
|
||||
flush(6)
|
||||
=======
|
||||
if(debugGeneral) then
|
||||
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||
' Masked Compliance (load) / GPa =', transpose(temp99_Real*1.e-9_pReal)
|
||||
flush(6)
|
||||
endif
|
||||
>>>>>>> spectralSolver-cutbackfix
|
||||
utilities_maskedCompliance = math_Plain99to3333(temp99_Real)
|
||||
|
||||
end function utilities_maskedCompliance
|
||||
|
|
@ -924,10 +937,10 @@ end subroutine utilities_fourierTensorDivergence
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates constitutive response
|
||||
!> @brief calculate constitutive response from materialpoint_F0 to F during timeinc
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
||||
P,C_volAvg,C_minmaxAvg,P_av,forwardData,rotation_BC)
|
||||
subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
||||
F,timeinc,rotation_BC)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use debug, only: &
|
||||
|
|
@ -940,31 +953,22 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
use mesh, only: &
|
||||
grid,&
|
||||
grid3
|
||||
use FEsolving, only: &
|
||||
restartWrite
|
||||
use CPFEM2, only: &
|
||||
CPFEM_general
|
||||
use homogenization, only: &
|
||||
materialpoint_F0, &
|
||||
materialpoint_F, &
|
||||
materialpoint_P, &
|
||||
materialpoint_dPdF
|
||||
materialpoint_dPdF, &
|
||||
materialpoint_stressAndItsTangent
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||
F_lastInc, & !< target deformation gradient
|
||||
F !< previous deformation gradient
|
||||
real(pReal), intent(in) :: timeinc !< loading time
|
||||
logical, intent(in) :: forwardData !< age results
|
||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
||||
|
||||
real(pReal),intent(out), dimension(3,3,3,3) :: C_volAvg, C_minmaxAvg !< average stiffness
|
||||
real(pReal),intent(out), dimension(3,3) :: P_av !< average PK stress
|
||||
real(pReal),intent(out), dimension(3,3,grid(1),grid(2),grid3) :: P !< PK stress
|
||||
|
||||
logical :: &
|
||||
age
|
||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: F !< deformation gradient target !< previous deformation gradient
|
||||
real(pReal), intent(in) :: timeinc !< loading time
|
||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
||||
|
||||
|
||||
integer(pInt) :: &
|
||||
j,k,ierr
|
||||
real(pReal), dimension(3,3,3,3) :: max_dPdF, min_dPdF
|
||||
|
|
@ -975,17 +979,9 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
|
||||
write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
|
||||
flush(6)
|
||||
age = .False.
|
||||
|
||||
if (forwardData) then ! aging results
|
||||
age = .True.
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3])
|
||||
endif
|
||||
if (cutBack) age = .False. ! restore saved variables
|
||||
|
||||
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3])
|
||||
call debug_reset() ! this has no effect on rank >0
|
||||
|
||||
|
||||
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate bounds of det(F) and report
|
||||
if(debugGeneral) then
|
||||
|
|
@ -1002,7 +998,19 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
flush(6)
|
||||
endif
|
||||
|
||||
call CPFEM_general(age,timeinc)
|
||||
call debug_reset() ! this has no effect on rank >0
|
||||
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field
|
||||
|
||||
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
|
||||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
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call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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||||
if (debugRotation) &
|
||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||
math_transpose33(P_av)*1.e-6_pReal
|
||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)*1.e-6_pReal
|
||||
flush(6)
|
||||
|
||||
max_dPdF = 0.0_pReal
|
||||
max_dPdF_norm = 0.0_pReal
|
||||
|
|
@ -1020,38 +1028,24 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
end do
|
||||
|
||||
call MPI_Allreduce(MPI_IN_PLACE,max_dPdF,81,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
|
||||
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce max')
|
||||
call MPI_Allreduce(MPI_IN_PLACE,min_dPdF,81,MPI_DOUBLE,MPI_MIN,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
|
||||
if (ierr /= 0_pInt) call IO_error(894_pInt, ext_msg='MPI_Allreduce min')
|
||||
|
||||
C_minmaxAvg = 0.5_pReal*(max_dPdF + min_dPdF)
|
||||
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
||||
|
||||
C_volAvg = sum(sum(materialpoint_dPdF,dim=6),dim=5) * wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,C_volAvg,81,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
call debug_info() ! this has no effect on rank >0
|
||||
|
||||
restartWrite = .false. ! reset restartWrite status
|
||||
cutBack = .false. ! reset cutBack status
|
||||
|
||||
P = reshape(materialpoint_P, [3,3,grid(1),grid(2),grid3])
|
||||
P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if (debugRotation) &
|
||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||
math_transpose33(P_av)*1.e-6_pReal
|
||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||
math_transpose33(P_av)*1.e-6_pReal
|
||||
flush(6)
|
||||
|
||||
end subroutine utilities_constitutiveResponse
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,field)
|
||||
pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)
|
||||
use mesh, only: &
|
||||
grid3, &
|
||||
grid
|
||||
|
|
@ -1059,17 +1053,17 @@ pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,fie
|
|||
implicit none
|
||||
real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc_old !< timeinc of last step
|
||||
dt !< timeinc between field0 and field
|
||||
logical, intent(in) :: &
|
||||
guess !< guess along former trajectory
|
||||
heterogeneous !< calculate field of rates
|
||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||
field_lastInc, & !< data of previous step
|
||||
field0, & !< data of previous step
|
||||
field !< data of current step
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||
utilities_calculateRate
|
||||
|
||||
if (guess) then
|
||||
utilities_calculateRate = (field-field_lastInc) / timeinc_old
|
||||
if (heterogeneous) then
|
||||
utilities_calculateRate = (field-field0) / dt
|
||||
else
|
||||
utilities_calculateRate = spread(spread(spread(avRate,3,grid(1)),4,grid(2)),5,grid3)
|
||||
endif
|
||||
|
|
|
|||
Loading…
Reference in New Issue