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

This commit is contained in:
Martin Diehl 2017-11-05 08:45:22 +01:00
commit 70cad4af09
85 changed files with 942 additions and 3605 deletions

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Copyright 2011-17 Max-Planck-Institut für Eisenforschung GmbH Copyright 2011-17 Max-Planck-Institut für Eisenforschung GmbH
This program is free software: you can redistribute it and/or modify DAMASK is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or the Free Software Foundation, either version 3 of the License, or
(at your option) any later version. (at your option) any later version.

@ -1 +1 @@
Subproject commit 5e97c9ac2fa4f7748a1bc040c15889623a3afd1f Subproject commit ff93e6862501439bbcca055dcf956bb09c086dc5

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v2.0.1-921-g67ac5c7 v2.0.1-960-geddc2a6

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[Air]
## Isotropic Material model to simulate free surfaces ##
## For more information see paper Maiti+Eisenlohr2018, Scripta Materialia,
## "Fourier-based spectral method solution to finite strain crystal plasticity with free surfaces"
elasticity hooke
plasticity isotropic
/dilatation/
(output) flowstress
(output) strainrate
lattice_structure isotropic
c11 110.9e9
c12 0.0
taylorfactor 3
tau0 31e6
gdot0 0.001
n 20
h0 75e6
tausat 63e6
w0 2.25
atol_resistance 1

94
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@ -5,11 +5,37 @@
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:svg="http://www.w3.org/2000/svg" xmlns:svg="http://www.w3.org/2000/svg"
xmlns="http://www.w3.org/2000/svg" xmlns="http://www.w3.org/2000/svg"
xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd"
xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
viewBox="0 0 104.4 104.4" viewBox="0 0 104.4 104.4"
height="104.4" height="104.4"
width="104.4" width="104.4"
version="1.1" version="1.1"
id="svg4314"> id="svg4314"
sodipodi:docname="DAMASK_QR-CodeBW.svg"
inkscape:version="0.92.1 r15371">
<title
id="title4483">DAMASK QR code</title>
<sodipodi:namedview
pagecolor="#ffffff"
bordercolor="#666666"
borderopacity="1"
objecttolerance="10"
gridtolerance="10"
guidetolerance="10"
inkscape:pageopacity="0"
inkscape:pageshadow="2"
inkscape:window-width="1920"
inkscape:window-height="1001"
id="namedview6"
showgrid="false"
inkscape:zoom="2.2605364"
inkscape:cx="52.200001"
inkscape:cy="52.200001"
inkscape:window-x="-9"
inkscape:window-y="-9"
inkscape:window-maximized="1"
inkscape:current-layer="svg4314" />
<metadata <metadata
id="metadata4320"> id="metadata4320">
<rdf:RDF> <rdf:RDF>
@ -18,8 +44,32 @@
<dc:format>image/svg+xml</dc:format> <dc:format>image/svg+xml</dc:format>
<dc:type <dc:type
rdf:resource="http://purl.org/dc/dcmitype/StillImage" /> rdf:resource="http://purl.org/dc/dcmitype/StillImage" />
<dc:title></dc:title> <dc:title>DAMASK QR code</dc:title>
<cc:license
rdf:resource="http://creativecommons.org/licenses/by-nd/4.0/" />
<dc:creator>
<cc:Agent>
<dc:title>Franz Roters</dc:title>
</cc:Agent>
</dc:creator>
<dc:subject>
<rdf:Bag>
<rdf:li>DAMASK; Crystal Plasticity; Multi-Physics</rdf:li>
</rdf:Bag>
</dc:subject>
<dc:description>link to https://damask.mpie.de</dc:description>
</cc:Work> </cc:Work>
<cc:License
rdf:about="http://creativecommons.org/licenses/by-nd/4.0/">
<cc:permits
rdf:resource="http://creativecommons.org/ns#Reproduction" />
<cc:permits
rdf:resource="http://creativecommons.org/ns#Distribution" />
<cc:requires
rdf:resource="http://creativecommons.org/ns#Notice" />
<cc:requires
rdf:resource="http://creativecommons.org/ns#Attribution" />
</cc:License>
</rdf:RDF> </rdf:RDF>
</metadata> </metadata>
<defs <defs

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DAMASK logo: Copyright 2011 Philip Eisenlohr,
Max-Planck-Institut für Eisenforschung GmbH
DAMASK QR code: Copyright 2016 Franz Roters,
Max-Planck-Institut für Eisenforschung GmbH
These images are licensed according to the Attribution-NoDerivatives 4.0 International
(CC BY-ND 4.0) license.
You should have received a copy of the Attribution-NoDerivatives 4.0 International license
along with these images. If not, see <http://creativecommons.org/licenses/by-nd/4.0/>
The following is a human-readable summary of (and not a substitute for) the license:
You are free to:
Share — copy and redistribute the material in any medium or format for any purpose,
even commercially.
The licensor cannot revoke these freedoms as long as you follow the license terms.
Under the following terms:
Attribution — You must give appropriate credit, provide a link to the license, and
indicate if changes were made. You may do so in any reasonable manner, but not in
any way that suggests the licensor endorses you or your use.
NoDerivatives — If you remix, transform, or build upon the material, you may not
distribute the modified material.
No additional restrictions — You may not apply legal terms or technological measures
that legally restrict others from doing anything the license permits.

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@ -72,6 +72,7 @@ for name in filenames:
table.head_write() table.head_write()
# ------------------------------------------ process data ------------------------------------------ # ------------------------------------------ process data ------------------------------------------
outputAlive = True outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table while outputAlive and table.data_read(): # read next data line of ASCII table
F = np.array(map(float,table.data[column[options.defgrad]:column[options.defgrad]+9]),'d').reshape(3,3) F = np.array(map(float,table.data[column[options.defgrad]:column[options.defgrad]+9]),'d').reshape(3,3)

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@ -22,7 +22,13 @@ parser.add_option('-t','--tensor',
dest = 'tensor', dest = 'tensor',
action = 'extend', metavar = '<string LIST>', action = 'extend', metavar = '<string LIST>',
help = 'heading of columns containing tensor field values') help = 'heading of columns containing tensor field values')
parser.add_option('--no-check',
dest = 'rh',
action = 'store_false',
help = 'skip check for right-handed eigenvector basis')
parser.set_defaults(rh = True,
)
(options,filenames) = parser.parse_args() (options,filenames) = parser.parse_args()
if options.tensor is None: if options.tensor is None:
@ -43,7 +49,8 @@ for name in filenames:
table.head_read() table.head_read()
# ------------------------------------------ sanity checks ----------------------------------------
# ------------------------------------------ assemble header 1 ------------------------------------
items = { items = {
'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.tensor, 'column': []}, 'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.tensor, 'column': []},
@ -57,8 +64,10 @@ for name in filenames:
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type)) if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
else: else:
items[type]['column'].append(table.label_index(what)) items[type]['column'].append(table.label_index(what))
table.labels_append(['{}_eigval({})'.format(i+1,what) for i in range(3)]) # extend ASCII header with new labels for order in ['Min','Mid','Max']:
table.labels_append(['{}_eigvec({})'.format(i+1,what) for i in range(9)]) # extend ASCII header with new labels table.labels_append(['eigval{}({})'.format(order,what)]) # extend ASCII header with new labels
for order in ['Min','Mid','Max']:
table.labels_append(['{}_eigvec{}({})'.format(i+1,order,what) for i in range(3)]) # extend ASCII header with new labels
if remarks != []: damask.util.croak(remarks) if remarks != []: damask.util.croak(remarks)
if errors != []: if errors != []:
@ -66,22 +75,22 @@ for name in filenames:
table.close(dismiss = True) table.close(dismiss = True)
continue continue
# ------------------------------------------ assemble header -------------------------------------- # ------------------------------------------ assemble header 2 ------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:])) table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.head_write() table.head_write()
# ------------------------------------------ process data ------------------------------------------ # ------------------------------------------ process data -----------------------------------------
outputAlive = True outputAlive = True
while outputAlive and table.data_read(): # read next data line of ASCII table while outputAlive and table.data_read(): # read next data line of ASCII table
for type, data in items.iteritems(): for type, data in items.iteritems():
for column in data['column']: for column in data['column']:
(u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape'])) (u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape']))
if np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed coordinate system if options.rh and np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed eigenvector basis
table.data_append(list(u)) table.data_append(list(u)) # vector of max,mid,min eigval
table.data_append(list(v.transpose().reshape(data['dim']))) table.data_append(list(v.transpose().reshape(data['dim']))) # 3x3=9 combo vector of max,mid,min eigvec coordinates
outputAlive = table.data_write() # output processed line outputAlive = table.data_write() # output processed line in accordance with column labeling
# ------------------------------------------ output finalization ----------------------------------- # ------------------------------------------ output finalization -----------------------------------

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@ -451,9 +451,9 @@ def mapIncremental(label, mapping, N, base, new):
# ----------------------------- # -----------------------------
def OpenPostfile(name,type,nodal = False): def OpenPostfile(name,type,nodal = False):
"""Open postfile with extrapolation mode 'translate'""" """Open postfile with extrapolation mode 'translate'"""
p = {\ p = {
'spectral': MPIEspectral_result,\ 'spectral': MPIEspectral_result,
'marc': post_open,\ 'marc': post_open,
}[type](name) }[type](name)
p.extrapolation({True:'linear',False:'translate'}[nodal]) p.extrapolation({True:'linear',False:'translate'}[nodal])
p.moveto(1) p.moveto(1)
@ -512,19 +512,19 @@ def ParsePostfile(p,filename, outputFormat):
needs "outputFormat" for mapping of output names to postfile output indices needs "outputFormat" for mapping of output names to postfile output indices
""" """
stat = { \ stat = {
'IndexOfLabel': {}, \ 'IndexOfLabel': {},
'Title': p.title(), \ 'Title': p.title(),
'Extrapolation': p.extrapolate, \ 'Extrapolation': p.extrapolate,
'NumberOfIncrements': p.increments(), \ 'NumberOfIncrements': p.increments(),
'NumberOfNodes': p.nodes(), \ 'NumberOfNodes': p.nodes(),
'NumberOfNodalScalars': p.node_scalars(), \ 'NumberOfNodalScalars': p.node_scalars(),
'LabelOfNodalScalar': [None]*p.node_scalars() , \ 'LabelOfNodalScalar': [None]*p.node_scalars(),
'NumberOfElements': p.elements(), \ 'NumberOfElements': p.elements(),
'NumberOfElementalScalars': p.element_scalars(), \ 'NumberOfElementalScalars': p.element_scalars(),
'LabelOfElementalScalar': [None]*p.element_scalars() , \ 'LabelOfElementalScalar': [None]*p.element_scalars(),
'NumberOfElementalTensors': p.element_tensors(), \ 'NumberOfElementalTensors': p.element_tensors(),
'LabelOfElementalTensor': [None]*p.element_tensors(), \ 'LabelOfElementalTensor': [None]*p.element_tensors(),
} }
# --- find labels # --- find labels
@ -671,6 +671,9 @@ parser.add_option('-m','--map', dest='func',
parser.add_option('-p','--type', dest='filetype', parser.add_option('-p','--type', dest='filetype',
metavar = 'string', metavar = 'string',
help = 'type of result file [auto]') help = 'type of result file [auto]')
parser.add_option('-q','--quiet', dest='verbose',
action = 'store_false',
help = 'suppress verbose output')
group_material = OptionGroup(parser,'Material identifier') group_material = OptionGroup(parser,'Material identifier')
@ -711,24 +714,26 @@ parser.add_option_group(group_material)
parser.add_option_group(group_general) parser.add_option_group(group_general)
parser.add_option_group(group_special) parser.add_option_group(group_special)
parser.set_defaults(info = False) parser.set_defaults(info = False,
parser.set_defaults(legacy = False) verbose = True,
parser.set_defaults(nodal = False) legacy = False,
parser.set_defaults(prefix = '') nodal = False,
parser.set_defaults(suffix = '') prefix = '',
parser.set_defaults(dir = 'postProc') suffix = '',
parser.set_defaults(filetype = None) dir = 'postProc',
parser.set_defaults(func = 'avg') filetype = None,
parser.set_defaults(homog = '1') func = 'avg',
parser.set_defaults(cryst = '1') homog = '1',
parser.set_defaults(phase = '1') cryst = '1',
parser.set_defaults(filter = '') phase = '1',
parser.set_defaults(sep = []) filter = '',
parser.set_defaults(sort = []) sep = [],
parser.set_defaults(inc = False) sort = [],
parser.set_defaults(time = False) inc = False,
parser.set_defaults(separateFiles = False) time = False,
parser.set_defaults(getIncrements= False) separateFiles = False,
getIncrements= False,
)
(options, files) = parser.parse_args() (options, files) = parser.parse_args()
@ -797,6 +802,7 @@ options.sep.reverse()
# --- start background messaging # --- start background messaging
if options.verbose:
bg = damask.util.backgroundMessage() bg = damask.util.backgroundMessage()
bg.start() bg.start()
@ -816,7 +822,7 @@ me = {
'Constitutive': options.phase, 'Constitutive': options.phase,
} }
bg.set_message('parsing .output files...') if options.verbose: bg.set_message('parsing .output files...')
for what in me: for what in me:
outputFormat[what] = ParseOutputFormat(filename, what, me[what]) outputFormat[what] = ParseOutputFormat(filename, what, me[what])
@ -824,9 +830,10 @@ for what in me:
print("\nsection '{}' not found in <{}>".format(me[what], what)) print("\nsection '{}' not found in <{}>".format(me[what], what))
print('\n'.join(map(lambda x:' [%s]'%x, outputFormat[what]['specials']['brothers']))) print('\n'.join(map(lambda x:' [%s]'%x, outputFormat[what]['specials']['brothers'])))
bg.set_message('opening result file...') if options.verbose: bg.set_message('opening result file...')
p = OpenPostfile(filename+extension,options.filetype,options.nodal) p = OpenPostfile(filename+extension,options.filetype,options.nodal)
bg.set_message('parsing result file...') if options.verbose: bg.set_message('parsing result file...')
stat = ParsePostfile(p, filename, outputFormat) stat = ParsePostfile(p, filename, outputFormat)
if options.filetype == 'marc': if options.filetype == 'marc':
stat['NumberOfIncrements'] -= 1 # t16 contains one "virtual" increment (at 0) stat['NumberOfIncrements'] -= 1 # t16 contains one "virtual" increment (at 0)
@ -870,8 +877,7 @@ if options.info:
elementsOfNode = {} elementsOfNode = {}
for e in range(stat['NumberOfElements']): for e in range(stat['NumberOfElements']):
if e%1000 == 0: if options.verbose and e%1000 == 0: bg.set_message('connect elem %i...'%e)
bg.set_message('connect elem %i...'%e)
for n in map(p.node_sequence,p.element(e).items): for n in map(p.node_sequence,p.element(e).items):
if n not in elementsOfNode: if n not in elementsOfNode:
elementsOfNode[n] = [p.element_id(e)] elementsOfNode[n] = [p.element_id(e)]
@ -893,8 +899,7 @@ memberCount = 0
if options.nodalScalar: if options.nodalScalar:
for n in range(stat['NumberOfNodes']): for n in range(stat['NumberOfNodes']):
if n%1000 == 0: if options.verbose and n%1000 == 0: bg.set_message('scan node %i...'%n)
bg.set_message('scan node %i...'%n)
myNodeID = p.node_id(n) myNodeID = p.node_id(n)
myNodeCoordinates = [p.node(n).x, p.node(n).y, p.node(n).z] myNodeCoordinates = [p.node(n).x, p.node(n).y, p.node(n).z]
myElemID = 0 myElemID = 0
@ -928,8 +933,7 @@ if options.nodalScalar:
else: else:
for e in range(stat['NumberOfElements']): for e in range(stat['NumberOfElements']):
if e%1000 == 0: if options.verbose and e%1000 == 0: bg.set_message('scan elem %i...'%e)
bg.set_message('scan elem %i...'%e)
myElemID = p.element_id(e) myElemID = p.element_id(e)
myIpCoordinates = ipCoords(p.element(e).type, map(lambda node: [node.x, node.y, node.z], myIpCoordinates = ipCoords(p.element(e).type, map(lambda node: [node.x, node.y, node.z],
map(p.node, map(p.node_sequence, p.element(e).items)))) map(p.node, map(p.node_sequence, p.element(e).items))))
@ -995,7 +999,7 @@ if 'none' not in map(str.lower, options.sort):
theKeys.append('x[0][%i]'%where[criterium]) theKeys.append('x[0][%i]'%where[criterium])
sortKeys = eval('lambda x:(%s)'%(','.join(theKeys))) sortKeys = eval('lambda x:(%s)'%(','.join(theKeys)))
bg.set_message('sorting groups...') if options.verbose: bg.set_message('sorting groups...')
groups.sort(key = sortKeys) # in-place sorting to save mem groups.sort(key = sortKeys) # in-place sorting to save mem
@ -1014,7 +1018,7 @@ standard = ['inc'] + \
# --------------------------- loop over positions -------------------------------- # --------------------------- loop over positions --------------------------------
bg.set_message('getting map between positions and increments...') if options.verbose: bg.set_message('getting map between positions and increments...')
incAtPosition = {} incAtPosition = {}
positionOfInc = {} positionOfInc = {}
@ -1075,7 +1079,7 @@ for incCount,position in enumerate(locations): # walk through locations
member += 1 member += 1
if member%1000 == 0: if member%1000 == 0:
time_delta = ((len(locations)*memberCount)/float(member+incCount*memberCount)-1.0)*(time.time()-time_start) time_delta = ((len(locations)*memberCount)/float(member+incCount*memberCount)-1.0)*(time.time()-time_start)
bg.set_message('(%02i:%02i:%02i) processing point %i of %i from increment %i (position %i)...' if options.verbose: bg.set_message('(%02i:%02i:%02i) processing point %i of %i from increment %i (position %i)...'
%(time_delta//3600,time_delta%3600//60,time_delta%60,member,memberCount,increments[incCount],position)) %(time_delta//3600,time_delta%3600//60,time_delta%60,member,memberCount,increments[incCount],position))
newby = [] # current member's data newby = [] # current member's data

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@ -0,0 +1,119 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
from optparse import OptionParser
import damask
import pipes
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]',
description ='generate 3D RVE from .ang files of EBSD slices .',
version = scriptID)
parser.add_option('--offset',
dest='offset',
type='float',
help='offset of EBSD slices [%default]',
metavar='float')
parser.add_option('--outname',
dest='outName',
type='string',
help='output file name [%default]', metavar='string')
parser.add_option('--vtr',
action="store_true",
dest='vtr')
parser.add_option('--geom',
action="store_true",
dest='geom')
parser.set_defaults(offset = 1.0,
outName = 'RVE3D')
(options,filenames) = parser.parse_args()
numFiles = len(filenames)
formatwidth = 1+int(math.log10(numFiles))
# copy original files to tmp files to not alter originals
for i in range(numFiles):
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
strCommand = 'cp ' + pipes.quote(filenames[i]) + ' ' + sliceID
os.system(strCommand)
# modify tmp files
print('Add z-coordinates')
for i in range(numFiles):
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
strCommand = 'OIMgrainFile_toTable ' + sliceID
os.system(strCommand)
strCommand = 'addCalculation --label 3Dpos --formula "np.array(#pos#.tolist()+[' + str(i*options.offset) + '])" ' + sliceID
os.system(strCommand)
# join temp files into one
print('\n Colocate files')
fileOut = open(options.outName + '.ang','w')
# take header information from 1st file
sliceID = 'slice' + str(0).zfill(formatwidth) + '.tmp'
fileRead = open(sliceID)
data = fileRead.readlines()
fileRead.close()
headerLines = int(data[0].split()[0])
fileOut.write(str(headerLines+1) + '\t header\n')
for line in data[1:headerLines]:
fileOut.write(line)
fileOut.write(scriptID + '\t' + ' '.join(sys.argv[1:]) + '\n')
for line in data[headerLines:]:
fileOut.write(line)
# append other files content without header
for i in range(numFiles-1):
sliceID = 'slice' + str(i+1).zfill(formatwidth) + '.tmp'
fileRead = open(sliceID)
data = fileRead.readlines()
fileRead.close()
headerLines = int(data[0].split()[0])
for line in data[headerLines+1:]:
fileOut.write(line)
fileOut.close()
# tidy up and add phase column
print('\n Remove temp data and add phase info')
strCommand = 'filterTable --black pos ' + options.outName + '.ang'
os.system(strCommand)
strCommand = 'reLabel --label 3Dpos --substitute pos ' + options.outName + '.ang'
os.system(strCommand)
strCommand = 'addCalculation -l phase -f 1 ' + options.outName + '.ang'
os.system(strCommand)
# create geom file when asked for
if options.geom:
print('\n Build geometry file')
strCommand = 'geom_fromTable --phase phase --eulers euler --coordinates pos ' + pipes.quote(options.outName) + '.ang'
os.system(strCommand)
# create paraview file when asked for
if options.vtr:
print('\n Build Paraview file')
strCommand = 'addIPFcolor --eulers euler --pole 0.0 0.0 1.0 ' + options.outName + '.ang'
os.system(strCommand)
strCommand = 'vtk_rectilinearGrid ' + pipes.quote(options.outName) + '.ang'
os.system(strCommand)
os.rename(pipes.quote(options.outName) + '_pos(cell)'+'.vtr', pipes.quote(options.outName) + '.vtr')
strCommand = 'vtk_addRectilinearGridData --vtk '+ pipes.quote(options.outName) + '.vtr --color IPF_001_cubic '\
+ pipes.quote(options.outName) + '.ang'
os.system(strCommand)
# delete tmp files
for i in range(numFiles):
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
os.remove(sliceID)

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@ -74,10 +74,8 @@ add_library (PLASTIC OBJECT
"plastic_disloUCLA.f90" "plastic_disloUCLA.f90"
"plastic_isotropic.f90" "plastic_isotropic.f90"
"plastic_phenopowerlaw.f90" "plastic_phenopowerlaw.f90"
"plastic_titanmod.f90"
"plastic_nonlocal.f90" "plastic_nonlocal.f90"
"plastic_none.f90" "plastic_none.f90")
"plastic_phenoplus.f90")
add_dependencies(PLASTIC DAMASK_HELPERS) add_dependencies(PLASTIC DAMASK_HELPERS)
list(APPEND OBJECTFILES $<TARGET_OBJECTS:PLASTIC>) list(APPEND OBJECTFILES $<TARGET_OBJECTS:PLASTIC>)

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@ -113,7 +113,11 @@ end subroutine CPFEM_initAll
!> @brief allocate the arrays defined in module CPFEM and initialize them !> @brief allocate the arrays defined in module CPFEM and initialize them
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_init subroutine CPFEM_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pInt pInt
use IO, only: & use IO, only: &

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@ -82,7 +82,11 @@ end subroutine CPFEM_initAll
!> @brief allocate the arrays defined in module CPFEM and initialize them !> @brief allocate the arrays defined in module CPFEM and initialize them
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_init subroutine CPFEM_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pInt pInt
use IO, only: & use IO, only: &

1
src/DAMASK_marc2017.f90 Symbolic link
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@ -0,0 +1 @@
DAMASK_marc.f90

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@ -7,8 +7,11 @@
!> results !> results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
program DAMASK_spectral program DAMASK_spectral
use, intrinsic :: & #ifdef __GFORTRAN__
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pInt, & pInt, &
pLongInt, & pLongInt, &

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@ -43,7 +43,11 @@ contains
!> solver the information is provided by the interface module !> solver the information is provided by the interface module
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine FE_init subroutine FE_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_FEsolving, & debug_FEsolving, &

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@ -81,7 +81,11 @@ contains
!> @brief only outputs revision number !> @brief only outputs revision number
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine IO_init subroutine IO_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
implicit none implicit none
@ -1587,6 +1591,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
! DAMASK_marc errors ! DAMASK_marc errors
case (700_pInt) case (700_pInt)
msg = 'invalid materialpoint result requested' msg = 'invalid materialpoint result requested'
case (701_pInt)
msg = 'not supported input file format, use Marc 2016 or earlier'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! errors related to spectral solver ! errors related to spectral solver

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@ -28,8 +28,6 @@
#include "plastic_none.f90" #include "plastic_none.f90"
#include "plastic_isotropic.f90" #include "plastic_isotropic.f90"
#include "plastic_phenopowerlaw.f90" #include "plastic_phenopowerlaw.f90"
#include "plastic_phenoplus.f90"
#include "plastic_titanmod.f90"
#include "plastic_dislotwin.f90" #include "plastic_dislotwin.f90"
#include "plastic_disloUCLA.f90" #include "plastic_disloUCLA.f90"
#include "plastic_nonlocal.f90" #include "plastic_nonlocal.f90"

View File

@ -37,7 +37,11 @@ contains
!> @brief allocates arrays pointing to array of the various constitutive modules !> @brief allocates arrays pointing to array of the various constitutive modules
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine constitutive_init() subroutine constitutive_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal pReal
use debug, only: & use debug, only: &
@ -70,10 +74,8 @@ subroutine constitutive_init()
PLASTICITY_none_ID, & PLASTICITY_none_ID, &
PLASTICITY_isotropic_ID, & PLASTICITY_isotropic_ID, &
PLASTICITY_phenopowerlaw_ID, & PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_phenoplus_ID, &
PLASTICITY_dislotwin_ID, & PLASTICITY_dislotwin_ID, &
PLASTICITY_disloucla_ID, & PLASTICITY_disloucla_ID, &
PLASTICITY_titanmod_ID, &
PLASTICITY_nonlocal_ID ,& PLASTICITY_nonlocal_ID ,&
SOURCE_thermal_dissipation_ID, & SOURCE_thermal_dissipation_ID, &
SOURCE_thermal_externalheat_ID, & SOURCE_thermal_externalheat_ID, &
@ -93,10 +95,8 @@ subroutine constitutive_init()
PLASTICITY_NONE_label, & PLASTICITY_NONE_label, &
PLASTICITY_ISOTROPIC_label, & PLASTICITY_ISOTROPIC_label, &
PLASTICITY_PHENOPOWERLAW_label, & PLASTICITY_PHENOPOWERLAW_label, &
PLASTICITY_PHENOPLUS_label, &
PLASTICITY_DISLOTWIN_label, & PLASTICITY_DISLOTWIN_label, &
PLASTICITY_DISLOUCLA_label, & PLASTICITY_DISLOUCLA_label, &
PLASTICITY_TITANMOD_label, &
PLASTICITY_NONLOCAL_label, & PLASTICITY_NONLOCAL_label, &
SOURCE_thermal_dissipation_label, & SOURCE_thermal_dissipation_label, &
SOURCE_thermal_externalheat_label, & SOURCE_thermal_externalheat_label, &
@ -113,10 +113,8 @@ subroutine constitutive_init()
use plastic_none use plastic_none
use plastic_isotropic use plastic_isotropic
use plastic_phenopowerlaw use plastic_phenopowerlaw
use plastic_phenoplus
use plastic_dislotwin use plastic_dislotwin
use plastic_disloucla use plastic_disloucla
use plastic_titanmod
use plastic_nonlocal use plastic_nonlocal
use source_thermal_dissipation use source_thermal_dissipation
use source_thermal_externalheat use source_thermal_externalheat
@ -158,10 +156,8 @@ subroutine constitutive_init()
if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init
if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_PHENOPLUS_ID)) call plastic_phenoplus_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_TITANMOD_ID)) call plastic_titanmod_init(FILEUNIT)
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
call plastic_nonlocal_init(FILEUNIT) call plastic_nonlocal_init(FILEUNIT)
call plastic_nonlocal_stateInit() call plastic_nonlocal_stateInit()
@ -218,11 +214,6 @@ subroutine constitutive_init()
thisNoutput => plastic_phenopowerlaw_Noutput thisNoutput => plastic_phenopowerlaw_Noutput
thisOutput => plastic_phenopowerlaw_output thisOutput => plastic_phenopowerlaw_output
thisSize => plastic_phenopowerlaw_sizePostResult thisSize => plastic_phenopowerlaw_sizePostResult
case (PLASTICITY_PHENOPLUS_ID) plasticityType
outputName = PLASTICITY_PHENOPLUS_label
thisNoutput => plastic_phenoplus_Noutput
thisOutput => plastic_phenoplus_output
thisSize => plastic_phenoplus_sizePostResult
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
outputName = PLASTICITY_DISLOTWIN_label outputName = PLASTICITY_DISLOTWIN_label
thisNoutput => plastic_dislotwin_Noutput thisNoutput => plastic_dislotwin_Noutput
@ -233,11 +224,6 @@ subroutine constitutive_init()
thisNoutput => plastic_disloucla_Noutput thisNoutput => plastic_disloucla_Noutput
thisOutput => plastic_disloucla_output thisOutput => plastic_disloucla_output
thisSize => plastic_disloucla_sizePostResult thisSize => plastic_disloucla_sizePostResult
case (PLASTICITY_TITANMOD_ID) plasticityType
outputName = PLASTICITY_TITANMOD_label
thisNoutput => plastic_titanmod_Noutput
thisOutput => plastic_titanmod_output
thisSize => plastic_titanmod_sizePostResult
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
outputName = PLASTICITY_NONLOCAL_label outputName = PLASTICITY_NONLOCAL_label
thisNoutput => plastic_nonlocal_Noutput thisNoutput => plastic_nonlocal_Noutput
@ -392,11 +378,8 @@ function constitutive_homogenizedC(ipc,ip,el)
use material, only: & use material, only: &
phase_plasticity, & phase_plasticity, &
material_phase, & material_phase, &
PLASTICITY_TITANMOD_ID, &
PLASTICITY_DISLOTWIN_ID, & PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_DISLOUCLA_ID PLASTICITY_DISLOUCLA_ID
use plastic_titanmod, only: &
plastic_titanmod_homogenizedC
use plastic_dislotwin, only: & use plastic_dislotwin, only: &
plastic_dislotwin_homogenizedC plastic_dislotwin_homogenizedC
use lattice, only: & use lattice, only: &
@ -412,8 +395,6 @@ function constitutive_homogenizedC(ipc,ip,el)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
constitutive_homogenizedC = plastic_dislotwin_homogenizedC(ipc,ip,el) constitutive_homogenizedC = plastic_dislotwin_homogenizedC(ipc,ip,el)
case (PLASTICITY_TITANMOD_ID) plasticityType
constitutive_homogenizedC = plastic_titanmod_homogenizedC (ipc,ip,el)
case default plasticityType case default plasticityType
constitutive_homogenizedC = lattice_C66(1:6,1:6,material_phase (ipc,ip,el)) constitutive_homogenizedC = lattice_C66(1:6,1:6,material_phase (ipc,ip,el))
end select plasticityType end select plasticityType
@ -434,19 +415,13 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
thermalMapping, & thermalMapping, &
PLASTICITY_dislotwin_ID, & PLASTICITY_dislotwin_ID, &
PLASTICITY_disloucla_ID, & PLASTICITY_disloucla_ID, &
PLASTICITY_titanmod_ID, & PLASTICITY_nonlocal_ID
PLASTICITY_nonlocal_ID, &
PLASTICITY_phenoplus_ID
use plastic_titanmod, only: &
plastic_titanmod_microstructure
use plastic_nonlocal, only: & use plastic_nonlocal, only: &
plastic_nonlocal_microstructure plastic_nonlocal_microstructure
use plastic_dislotwin, only: & use plastic_dislotwin, only: &
plastic_dislotwin_microstructure plastic_dislotwin_microstructure
use plastic_disloucla, only: & use plastic_disloucla, only: &
plastic_disloucla_microstructure plastic_disloucla_microstructure
use plastic_phenoplus, only: &
plastic_phenoplus_microstructure
implicit none implicit none
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
@ -470,12 +445,8 @@ subroutine constitutive_microstructure(orientations, Fe, Fp, ipc, ip, el)
call plastic_dislotwin_microstructure(temperature(ho)%p(tme),ipc,ip,el) call plastic_dislotwin_microstructure(temperature(ho)%p(tme),ipc,ip,el)
case (PLASTICITY_DISLOUCLA_ID) plasticityType case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloucla_microstructure(temperature(ho)%p(tme),ipc,ip,el) call plastic_disloucla_microstructure(temperature(ho)%p(tme),ipc,ip,el)
case (PLASTICITY_TITANMOD_ID) plasticityType
call plastic_titanmod_microstructure (temperature(ho)%p(tme),ipc,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_microstructure (Fe,Fp,ip,el) call plastic_nonlocal_microstructure (Fe,Fp,ip,el)
case (PLASTICITY_PHENOPLUS_ID) plasticityType
call plastic_phenoplus_microstructure(orientations,ipc,ip,el)
end select plasticityType end select plasticityType
end subroutine constitutive_microstructure end subroutine constitutive_microstructure
@ -501,23 +472,17 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v
PLASTICITY_NONE_ID, & PLASTICITY_NONE_ID, &
PLASTICITY_ISOTROPIC_ID, & PLASTICITY_ISOTROPIC_ID, &
PLASTICITY_PHENOPOWERLAW_ID, & PLASTICITY_PHENOPOWERLAW_ID, &
PLASTICITY_PHENOPLUS_ID, &
PLASTICITY_DISLOTWIN_ID, & PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_DISLOUCLA_ID, & PLASTICITY_DISLOUCLA_ID, &
PLASTICITY_TITANMOD_ID, &
PLASTICITY_NONLOCAL_ID PLASTICITY_NONLOCAL_ID
use plastic_isotropic, only: & use plastic_isotropic, only: &
plastic_isotropic_LpAndItsTangent plastic_isotropic_LpAndItsTangent
use plastic_phenopowerlaw, only: & use plastic_phenopowerlaw, only: &
plastic_phenopowerlaw_LpAndItsTangent plastic_phenopowerlaw_LpAndItsTangent
use plastic_phenoplus, only: &
plastic_phenoplus_LpAndItsTangent
use plastic_dislotwin, only: & use plastic_dislotwin, only: &
plastic_dislotwin_LpAndItsTangent plastic_dislotwin_LpAndItsTangent
use plastic_disloucla, only: & use plastic_disloucla, only: &
plastic_disloucla_LpAndItsTangent plastic_disloucla_LpAndItsTangent
use plastic_titanmod, only: &
plastic_titanmod_LpAndItsTangent
use plastic_nonlocal, only: & use plastic_nonlocal, only: &
plastic_nonlocal_LpAndItsTangent plastic_nonlocal_LpAndItsTangent
@ -560,8 +525,6 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v
call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el) call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el) call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el)
case (PLASTICITY_PHENOPLUS_ID) plasticityType
call plastic_phenoplus_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, & call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, &
temperature(ho)%p(tme),ip,el) temperature(ho)%p(tme),ip,el)
@ -571,9 +534,6 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v
case (PLASTICITY_DISLOUCLA_ID) plasticityType case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloucla_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, & call plastic_disloucla_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, &
temperature(ho)%p(tme), ipc,ip,el) temperature(ho)%p(tme), ipc,ip,el)
case (PLASTICITY_TITANMOD_ID) plasticityType
call plastic_titanmod_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, &
temperature(ho)%p(tme), ipc,ip,el)
end select plasticityType end select plasticityType
dLp_dTstar3333 = math_Plain99to3333(dLp_dMstar) dLp_dTstar3333 = math_Plain99to3333(dLp_dMstar)
@ -884,10 +844,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
PLASTICITY_none_ID, & PLASTICITY_none_ID, &
PLASTICITY_isotropic_ID, & PLASTICITY_isotropic_ID, &
PLASTICITY_phenopowerlaw_ID, & PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_phenoplus_ID, &
PLASTICITY_dislotwin_ID, & PLASTICITY_dislotwin_ID, &
PLASTICITY_disloucla_ID, & PLASTICITY_disloucla_ID, &
PLASTICITY_titanmod_ID, &
PLASTICITY_nonlocal_ID, & PLASTICITY_nonlocal_ID, &
SOURCE_damage_isoDuctile_ID, & SOURCE_damage_isoDuctile_ID, &
SOURCE_damage_anisoBrittle_ID, & SOURCE_damage_anisoBrittle_ID, &
@ -897,14 +855,10 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
plastic_isotropic_dotState plastic_isotropic_dotState
use plastic_phenopowerlaw, only: & use plastic_phenopowerlaw, only: &
plastic_phenopowerlaw_dotState plastic_phenopowerlaw_dotState
use plastic_phenoplus, only: &
plastic_phenoplus_dotState
use plastic_dislotwin, only: & use plastic_dislotwin, only: &
plastic_dislotwin_dotState plastic_dislotwin_dotState
use plastic_disloucla, only: & use plastic_disloucla, only: &
plastic_disloucla_dotState plastic_disloucla_dotState
use plastic_titanmod, only: &
plastic_titanmod_dotState
use plastic_nonlocal, only: & use plastic_nonlocal, only: &
plastic_nonlocal_dotState plastic_nonlocal_dotState
use source_damage_isoDuctile, only: & use source_damage_isoDuctile, only: &
@ -950,17 +904,12 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra
call plastic_isotropic_dotState (Tstar_v,ipc,ip,el) call plastic_isotropic_dotState (Tstar_v,ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_dotState(Tstar_v,ipc,ip,el) call plastic_phenopowerlaw_dotState(Tstar_v,ipc,ip,el)
case (PLASTICITY_PHENOPLUS_ID) plasticityType
call plastic_phenoplus_dotState (Tstar_v,ipc,ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_dotState (Tstar_v,temperature(ho)%p(tme), & call plastic_dislotwin_dotState (Tstar_v,temperature(ho)%p(tme), &
ipc,ip,el) ipc,ip,el)
case (PLASTICITY_DISLOUCLA_ID) plasticityType case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloucla_dotState (Tstar_v,temperature(ho)%p(tme), & call plastic_disloucla_dotState (Tstar_v,temperature(ho)%p(tme), &
ipc,ip,el) ipc,ip,el)
case (PLASTICITY_TITANMOD_ID) plasticityType
call plastic_titanmod_dotState (Tstar_v,temperature(ho)%p(tme), &
ipc,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticityType case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dotState (Tstar_v,FeArray,FpArray,temperature(ho)%p(tme), & call plastic_nonlocal_dotState (Tstar_v,FeArray,FpArray,temperature(ho)%p(tme), &
subdt,subfracArray,ip,el) subdt,subfracArray,ip,el)
@ -1093,10 +1042,8 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
PLASTICITY_NONE_ID, & PLASTICITY_NONE_ID, &
PLASTICITY_ISOTROPIC_ID, & PLASTICITY_ISOTROPIC_ID, &
PLASTICITY_PHENOPOWERLAW_ID, & PLASTICITY_PHENOPOWERLAW_ID, &
PLASTICITY_PHENOPLUS_ID, &
PLASTICITY_DISLOTWIN_ID, & PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_DISLOUCLA_ID, & PLASTICITY_DISLOUCLA_ID, &
PLASTICITY_TITANMOD_ID, &
PLASTICITY_NONLOCAL_ID, & PLASTICITY_NONLOCAL_ID, &
SOURCE_damage_isoBrittle_ID, & SOURCE_damage_isoBrittle_ID, &
SOURCE_damage_isoDuctile_ID, & SOURCE_damage_isoDuctile_ID, &
@ -1106,14 +1053,10 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
plastic_isotropic_postResults plastic_isotropic_postResults
use plastic_phenopowerlaw, only: & use plastic_phenopowerlaw, only: &
plastic_phenopowerlaw_postResults plastic_phenopowerlaw_postResults
use plastic_phenoplus, only: &
plastic_phenoplus_postResults
use plastic_dislotwin, only: & use plastic_dislotwin, only: &
plastic_dislotwin_postResults plastic_dislotwin_postResults
use plastic_disloucla, only: & use plastic_disloucla, only: &
plastic_disloucla_postResults plastic_disloucla_postResults
use plastic_titanmod, only: &
plastic_titanmod_postResults
use plastic_nonlocal, only: & use plastic_nonlocal, only: &
plastic_nonlocal_postResults plastic_nonlocal_postResults
use source_damage_isoBrittle, only: & use source_damage_isoBrittle, only: &
@ -1153,16 +1096,11 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el)
endPos = plasticState(material_phase(ipc,ip,el))%sizePostResults endPos = plasticState(material_phase(ipc,ip,el))%sizePostResults
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_TITANMOD_ID) plasticityType
constitutive_postResults(startPos:endPos) = plastic_titanmod_postResults(ipc,ip,el)
case (PLASTICITY_ISOTROPIC_ID) plasticityType case (PLASTICITY_ISOTROPIC_ID) plasticityType
constitutive_postResults(startPos:endPos) = plastic_isotropic_postResults(Tstar_v,ipc,ip,el) constitutive_postResults(startPos:endPos) = plastic_isotropic_postResults(Tstar_v,ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
constitutive_postResults(startPos:endPos) = & constitutive_postResults(startPos:endPos) = &
plastic_phenopowerlaw_postResults(Tstar_v,ipc,ip,el) plastic_phenopowerlaw_postResults(Tstar_v,ipc,ip,el)
case (PLASTICITY_PHENOPLUS_ID) plasticityType
constitutive_postResults(startPos:endPos) = &
plastic_phenoplus_postResults(Tstar_v,ipc,ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType case (PLASTICITY_DISLOTWIN_ID) plasticityType
constitutive_postResults(startPos:endPos) = & constitutive_postResults(startPos:endPos) = &
plastic_dislotwin_postResults(Tstar_v,temperature(ho)%p(tme),ipc,ip,el) plastic_dislotwin_postResults(Tstar_v,temperature(ho)%p(tme),ipc,ip,el)

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@ -137,7 +137,11 @@ contains
!> @brief allocates and initialize per grain variables !> @brief allocates and initialize per grain variables
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_init subroutine crystallite_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_info, & debug_info, &
debug_reset, & debug_reset, &
@ -3092,27 +3096,41 @@ logical function crystallite_stateJump(ipc,ip,el)
c, & c, &
p, & p, &
mySource, & mySource, &
myOffsetPlasticDeltaState, &
myOffsetSourceDeltaState, &
mySizePlasticDeltaState, & mySizePlasticDeltaState, &
mySizeSourceDeltaState mySizeSourceDeltaState
c = phasememberAt(ipc,ip,el) c = phasememberAt(ipc,ip,el)
p = phaseAt(ipc,ip,el) p = phaseAt(ipc,ip,el)
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el) call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el)
myOffsetPlasticDeltaState = plasticState(p)%offsetDeltaState
mySizePlasticDeltaState = plasticState(p)%sizeDeltaState mySizePlasticDeltaState = plasticState(p)%sizeDeltaState
if( any(IEEE_is_NaN(plasticState(p)%deltaState(:,c)))) then ! NaN occured in deltaState
if( any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false. crystallite_stateJump = .false.
return return
endif endif
plasticState(p)%state(1:mySizePlasticDeltaState,c) = plasticState(p)%state(1:mySizePlasticDeltaState,c) + &
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) = &
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) + &
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c) plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
do mySource = 1_pInt, phase_Nsources(p) do mySource = 1_pInt, phase_Nsources(p)
myOffsetSourceDeltaState = sourceState(p)%p(mySource)%offsetDeltaState
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState if (any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false. crystallite_stateJump = .false.
return return
endif endif
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) = & sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) + & myOffsetSourceDeltaState + mySizeSourceDeltaState,c) = &
sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c) + &
sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c) sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)
enddo enddo
@ -3123,7 +3141,9 @@ logical function crystallite_stateJump(ipc,ip,el)
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c) write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDeltaState,c) write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
plasticState(p)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c)
endif endif
#endif #endif

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@ -41,7 +41,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_local_init(fileUnit) subroutine damage_local_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_none_init() subroutine damage_none_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pInt pInt
use IO, only: & use IO, only: &

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@ -46,7 +46,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_init(fileUnit) subroutine damage_nonlocal_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -102,7 +102,11 @@ contains
!> @brief reads in parameters from debug.config and allocates arrays !> @brief reads in parameters from debug.config and allocates arrays
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine debug_init subroutine debug_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use numerics, only: & use numerics, only: &
nStress, & nStress, &
nState, & nState, &

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@ -71,7 +71,11 @@ contains
!> @brief module initialization !> @brief module initialization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_init subroutine homogenization_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use math, only: & use math, only: &
math_I3 math_I3
use debug, only: & use debug, only: &

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@ -72,7 +72,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_init(fileUnit) subroutine homogenization_RGC_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt

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@ -49,7 +49,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_init(fileUnit) subroutine homogenization_isostrain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal pReal
use debug, only: & use debug, only: &

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@ -18,7 +18,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_none_init() subroutine homogenization_none_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt

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@ -51,7 +51,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine hydrogenflux_cahnhilliard_init(fileUnit) subroutine hydrogenflux_cahnhilliard_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine hydrogenflux_isoconc_init() subroutine hydrogenflux_isoconc_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt

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@ -51,7 +51,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_cleavage_opening_init(fileUnit) subroutine kinematics_cleavage_opening_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_hydrogen_strain_init(fileUnit) subroutine kinematics_hydrogen_strain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -51,7 +51,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_init(fileUnit) subroutine kinematics_slipplane_opening_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_init(fileUnit) subroutine kinematics_thermal_expansion_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine kinematics_vacancy_strain_init(fileUnit) subroutine kinematics_vacancy_strain_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -1243,7 +1243,11 @@ contains
!> @brief Module initialization !> @brief Module initialization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_init subroutine lattice_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_open_file,& IO_open_file,&
IO_open_jobFile_stat, & IO_open_jobFile_stat, &

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@ -25,10 +25,8 @@ module material
PLASTICITY_none_label = 'none', & PLASTICITY_none_label = 'none', &
PLASTICITY_isotropic_label = 'isotropic', & PLASTICITY_isotropic_label = 'isotropic', &
PLASTICITY_phenopowerlaw_label = 'phenopowerlaw', & PLASTICITY_phenopowerlaw_label = 'phenopowerlaw', &
PLASTICITY_phenoplus_label = 'phenoplus', &
PLASTICITY_dislotwin_label = 'dislotwin', & PLASTICITY_dislotwin_label = 'dislotwin', &
PLASTICITY_disloucla_label = 'disloucla', & PLASTICITY_disloucla_label = 'disloucla', &
PLASTICITY_titanmod_label = 'titanmod', &
PLASTICITY_nonlocal_label = 'nonlocal', & PLASTICITY_nonlocal_label = 'nonlocal', &
SOURCE_thermal_dissipation_label = 'thermal_dissipation', & SOURCE_thermal_dissipation_label = 'thermal_dissipation', &
SOURCE_thermal_externalheat_label = 'thermal_externalheat', & SOURCE_thermal_externalheat_label = 'thermal_externalheat', &
@ -74,10 +72,8 @@ module material
PLASTICITY_none_ID, & PLASTICITY_none_ID, &
PLASTICITY_isotropic_ID, & PLASTICITY_isotropic_ID, &
PLASTICITY_phenopowerlaw_ID, & PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_phenoplus_ID, &
PLASTICITY_dislotwin_ID, & PLASTICITY_dislotwin_ID, &
PLASTICITY_disloucla_ID, & PLASTICITY_disloucla_ID, &
PLASTICITY_titanmod_ID, &
PLASTICITY_nonlocal_ID PLASTICITY_nonlocal_ID
end enum end enum
@ -312,10 +308,8 @@ module material
PLASTICITY_none_ID, & PLASTICITY_none_ID, &
PLASTICITY_isotropic_ID, & PLASTICITY_isotropic_ID, &
PLASTICITY_phenopowerlaw_ID, & PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_phenoplus_ID, &
PLASTICITY_dislotwin_ID, & PLASTICITY_dislotwin_ID, &
PLASTICITY_disloucla_ID, & PLASTICITY_disloucla_ID, &
PLASTICITY_titanmod_ID, &
PLASTICITY_nonlocal_ID, & PLASTICITY_nonlocal_ID, &
SOURCE_thermal_dissipation_ID, & SOURCE_thermal_dissipation_ID, &
SOURCE_thermal_externalheat_ID, & SOURCE_thermal_externalheat_ID, &
@ -367,7 +361,11 @@ contains
!> material.config !> material.config
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_init() subroutine material_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_error, & IO_error, &
IO_open_file, & IO_open_file, &
@ -985,14 +983,10 @@ subroutine material_parsePhase(fileUnit,myPart)
phase_plasticity(section) = PLASTICITY_ISOTROPIC_ID phase_plasticity(section) = PLASTICITY_ISOTROPIC_ID
case (PLASTICITY_PHENOPOWERLAW_label) case (PLASTICITY_PHENOPOWERLAW_label)
phase_plasticity(section) = PLASTICITY_PHENOPOWERLAW_ID phase_plasticity(section) = PLASTICITY_PHENOPOWERLAW_ID
case (PLASTICITY_PHENOPLUS_label)
phase_plasticity(section) = PLASTICITY_PHENOPLUS_ID
case (PLASTICITY_DISLOTWIN_label) case (PLASTICITY_DISLOTWIN_label)
phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID
case (PLASTICITY_DISLOUCLA_label) case (PLASTICITY_DISLOUCLA_label)
phase_plasticity(section) = PLASTICITY_DISLOUCLA_ID phase_plasticity(section) = PLASTICITY_DISLOUCLA_ID
case (PLASTICITY_TITANMOD_label)
phase_plasticity(section) = PLASTICITY_TITANMOD_ID
case (PLASTICITY_NONLOCAL_label) case (PLASTICITY_NONLOCAL_label)
phase_plasticity(section) = PLASTICITY_NONLOCAL_ID phase_plasticity(section) = PLASTICITY_NONLOCAL_ID
case default case default

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@ -172,7 +172,11 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine math_init subroutine math_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use numerics, only: fixedSeed use numerics, only: fixedSeed
use IO, only: IO_timeStamp use IO, only: IO_timeStamp
@ -1435,34 +1439,36 @@ end function math_RtoQ
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief rotation matrix from Euler angles (in radians) !> @brief rotation matrix from Bunge-Euler (3-1-3) angles (in radians)
!> @details rotation matrix is meant to represent a PASSIVE rotation, !> @details rotation matrix is meant to represent a PASSIVE rotation, composed of INTRINSIC
!> @details composed of INTRINSIC rotations around the axes of the !> @details rotations around the axes of the details rotating reference frame.
!> @details rotating reference frame !> @details similar to eu2om from "D Rowenhorst et al. Consistent representations of and conversions
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions) !> @details between 3D rotations, Model. Simul. Mater. Sci. Eng. 23-8 (2015)", but R is transposed
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_EulerToR(Euler) pure function math_EulerToR(Euler)
implicit none implicit none
real(pReal), dimension(3), intent(in) :: Euler real(pReal), dimension(3), intent(in) :: Euler
real(pReal), dimension(3,3) :: math_EulerToR real(pReal), dimension(3,3) :: math_EulerToR
real(pReal) c1, c, c2, s1, s, s2 real(pReal) :: c1, C, c2, s1, S, s2
C1 = cos(Euler(1)) c1 = cos(Euler(1))
C = cos(Euler(2)) C = cos(Euler(2))
C2 = cos(Euler(3)) c2 = cos(Euler(3))
S1 = sin(Euler(1)) s1 = sin(Euler(1))
S = sin(Euler(2)) S = sin(Euler(2))
S2 = sin(Euler(3)) s2 = sin(Euler(3))
math_EulerToR(1,1)=C1*C2-S1*S2*C math_EulerToR(1,1) = c1*c2 -s1*C*s2
math_EulerToR(1,2)=-C1*S2-S1*C2*C math_EulerToR(1,2) = -c1*s2 -s1*C*c2
math_EulerToR(1,3)=S1*S math_EulerToR(1,3) = s1*S
math_EulerToR(2,1)=S1*C2+C1*S2*C
math_EulerToR(2,2)=-S1*S2+C1*C2*C math_EulerToR(2,1) = s1*c2 +c1*C*s2
math_EulerToR(2,3)=-C1*S math_EulerToR(2,2) = -s1*s2 +c1*C*c2
math_EulerToR(3,1)=S2*S math_EulerToR(2,3) = -c1*S
math_EulerToR(3,2)=C2*S
math_EulerToR(3,1) = S*s2
math_EulerToR(3,2) = S*c2
math_EulerToR(3,3) = C math_EulerToR(3,3) = C
math_EulerToR = transpose(math_EulerToR) ! convert to passive rotation math_EulerToR = transpose(math_EulerToR) ! convert to passive rotation
@ -1471,29 +1477,29 @@ end function math_EulerToR
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief quaternion (w+ix+jy+kz) from 3-1-3 Euler angles (in radians) !> @brief quaternion (w+ix+jy+kz) from Bunge-Euler (3-1-3) angles (in radians)
!> @details quaternion is meant to represent a PASSIVE rotation, !> @details rotation matrix is meant to represent a PASSIVE rotation, composed of INTRINSIC
!> @details composed of INTRINSIC rotations around the axes of the !> @details rotations around the axes of the details rotating reference frame.
!> @details rotating reference frame !> @details similar to eu2qu from "D Rowenhorst et al. Consistent representations of and
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions) !> @details conversions between 3D rotations, Model. Simul. Mater. Sci. Eng. 23-8 (2015)", but
!> @details Q is conjucated and Q is not reversed for Q(0) < 0.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_EulerToQ(eulerangles) pure function math_EulerToQ(eulerangles)
implicit none implicit none
real(pReal), dimension(3), intent(in) :: eulerangles real(pReal), dimension(3), intent(in) :: eulerangles
real(pReal), dimension(4) :: math_EulerToQ real(pReal), dimension(4) :: math_EulerToQ
real(pReal), dimension(3) :: halfangles real(pReal) :: c, s, sigma, delta
real(pReal) :: c, s
halfangles = 0.5_pReal * eulerangles c = cos(0.5_pReal * eulerangles(2))
s = sin(0.5_pReal * eulerangles(2))
sigma = 0.5_pReal * (eulerangles(1)+eulerangles(3))
delta = 0.5_pReal * (eulerangles(1)-eulerangles(3))
c = cos(halfangles(2)) math_EulerToQ= [c * cos(sigma), &
s = sin(halfangles(2)) s * cos(delta), &
s * sin(delta), &
math_EulerToQ= [cos(halfangles(1)+halfangles(3)) * c, & c * sin(sigma) ]
cos(halfangles(1)-halfangles(3)) * s, &
sin(halfangles(1)-halfangles(3)) * s, &
sin(halfangles(1)+halfangles(3)) * c ]
math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation
end function math_EulerToQ end function math_EulerToQ
@ -1504,6 +1510,8 @@ end function math_EulerToQ
!> @details rotation matrix is meant to represent a ACTIVE rotation !> @details rotation matrix is meant to represent a ACTIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions) !> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details formula for active rotation taken from http://mathworld.wolfram.com/RodriguesRotationFormula.html !> @details formula for active rotation taken from http://mathworld.wolfram.com/RodriguesRotationFormula.html
!> @details equivalent to eu2om (P=-1) from "D Rowenhorst et al. Consistent representations of and
!> @details conversions between 3D rotations, Model. Simul. Mater. Sci. Eng. 23-8 (2015)"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_axisAngleToR(axis,omega) pure function math_axisAngleToR(axis,omega)
@ -1511,31 +1519,31 @@ pure function math_axisAngleToR(axis,omega)
real(pReal), dimension(3,3) :: math_axisAngleToR real(pReal), dimension(3,3) :: math_axisAngleToR
real(pReal), dimension(3), intent(in) :: axis real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega real(pReal), intent(in) :: omega
real(pReal), dimension(3) :: axisNrm real(pReal), dimension(3) :: n
real(pReal) :: norm,s,c,c1 real(pReal) :: norm,s,c,c1
norm = norm2(axis) norm = norm2(axis)
if (norm > 1.0e-8_pReal) then ! non-zero rotation wellDefined: if (norm > 1.0e-8_pReal) then
axisNrm = axis/norm ! normalize axis to be sure n = axis/norm ! normalize axis to be sure
s = sin(omega) s = sin(omega)
c = cos(omega) c = cos(omega)
c1 = 1.0_pReal - c c1 = 1.0_pReal - c
math_axisAngleToR(1,1) = c + c1*axisNrm(1)**2.0_pReal math_axisAngleToR(1,1) = c + c1*n(1)**2.0_pReal
math_axisAngleToR(1,2) = -s*axisNrm(3) + c1*axisNrm(1)*axisNrm(2) math_axisAngleToR(1,2) = c1*n(1)*n(2) - s*n(3)
math_axisAngleToR(1,3) = s*axisNrm(2) + c1*axisNrm(1)*axisNrm(3) math_axisAngleToR(1,3) = c1*n(1)*n(3) + s*n(2)
math_axisAngleToR(2,1) = s*axisNrm(3) + c1*axisNrm(2)*axisNrm(1) math_axisAngleToR(2,1) = c1*n(1)*n(2) + s*n(3)
math_axisAngleToR(2,2) = c + c1*axisNrm(2)**2.0_pReal math_axisAngleToR(2,2) = c + c1*n(2)**2.0_pReal
math_axisAngleToR(2,3) = -s*axisNrm(1) + c1*axisNrm(2)*axisNrm(3) math_axisAngleToR(2,3) = c1*n(2)*n(3) - s*n(1)
math_axisAngleToR(3,1) = -s*axisNrm(2) + c1*axisNrm(3)*axisNrm(1) math_axisAngleToR(3,1) = c1*n(1)*n(3) - s*n(2)
math_axisAngleToR(3,2) = s*axisNrm(1) + c1*axisNrm(3)*axisNrm(2) math_axisAngleToR(3,2) = c1*n(2)*n(3) + s*n(1)
math_axisAngleToR(3,3) = c + c1*axisNrm(3)**2.0_pReal math_axisAngleToR(3,3) = c + c1*n(3)**2.0_pReal
else else wellDefined
math_axisAngleToR = math_I3 math_axisAngleToR = math_I3
endif endif wellDefined
end function math_axisAngleToR end function math_axisAngleToR
@ -1544,6 +1552,8 @@ end function math_axisAngleToR
!> @brief rotation matrix from axis and angle (in radians) !> @brief rotation matrix from axis and angle (in radians)
!> @details rotation matrix is meant to represent a PASSIVE rotation !> @details rotation matrix is meant to represent a PASSIVE rotation
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions) !> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details eq-uivalent to eu2qu (P=+1) from "D Rowenhorst et al. Consistent representations of and
!> @details conversions between 3D rotations, Model. Simul. Mater. Sci. Eng. 23-8 (2015)"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_EulerAxisAngleToR(axis,omega) pure function math_EulerAxisAngleToR(axis,omega)
@ -1582,6 +1592,8 @@ end function math_EulerAxisAngleToQ
!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions) !> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
!> @details formula for active rotation taken from !> @details formula for active rotation taken from
!> @details http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters !> @details http://en.wikipedia.org/wiki/Rotation_representation_%28mathematics%29#Rodrigues_parameters
!> @details equivalent to eu2qu (P=+1) from "D Rowenhorst et al. Consistent representations of and
!> @details conversions between 3D rotations, Model. Simul. Mater. Sci. Eng. 23-8 (2015)"
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_axisAngleToQ(axis,omega) pure function math_axisAngleToQ(axis,omega)
@ -1592,13 +1604,13 @@ pure function math_axisAngleToQ(axis,omega)
real(pReal), dimension(3) :: axisNrm real(pReal), dimension(3) :: axisNrm
real(pReal) :: norm real(pReal) :: norm
norm = sqrt(math_mul3x3(axis,axis)) norm = norm2(axis)
rotation: if (norm > 1.0e-8_pReal) then wellDefined: if (norm > 1.0e-8_pReal) then
axisNrm = axis/norm ! normalize axis to be sure axisNrm = axis/norm ! normalize axis to be sure
math_axisAngleToQ = [cos(0.5_pReal*omega), sin(0.5_pReal*omega) * axisNrm(1:3)] math_axisAngleToQ = [cos(0.5_pReal*omega), sin(0.5_pReal*omega) * axisNrm(1:3)]
else rotation else wellDefined
math_axisAngleToQ = [1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal] math_axisAngleToQ = [1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal]
endif rotation endif wellDefined
end function math_axisAngleToQ end function math_axisAngleToQ

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@ -472,7 +472,11 @@ contains
!! Order and routines strongly depend on type of solver !! Order and routines strongly depend on type of solver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine mesh_init(ip,el) subroutine mesh_init(ip,el)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use DAMASK_interface use DAMASK_interface
use IO, only: & use IO, only: &
#ifdef Abaqus #ifdef Abaqus
@ -706,7 +710,6 @@ integer(pInt) function mesh_FEasCP(what,myID)
mesh_FEasCP = lookupMap(2_pInt,upper) mesh_FEasCP = lookupMap(2_pInt,upper)
return return
endif endif
! this might be the reason for the heap problems
binarySearch: do while (upper-lower > 1_pInt) binarySearch: do while (upper-lower > 1_pInt)
center = (lower+upper)/2_pInt center = (lower+upper)/2_pInt
if (lookupMap(1_pInt,center) < myID) then if (lookupMap(1_pInt,center) < myID) then
@ -1692,13 +1695,15 @@ subroutine mesh_marc_count_cpElements(fileUnit)
use IO, only: IO_lc, & use IO, only: IO_lc, &
IO_stringValue, & IO_stringValue, &
IO_stringPos, & IO_stringPos, &
IO_countContinuousIntValues IO_countContinuousIntValues, &
IO_error, &
IO_intValue
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: i integer(pInt) :: i, version
character(len=300):: line character(len=300):: line
mesh_NcpElems = 0_pInt mesh_NcpElems = 0_pInt
@ -1709,15 +1714,26 @@ subroutine mesh_marc_count_cpElements(fileUnit)
do do
read (fileUnit,610,END=620) line read (fileUnit,610,END=620) line
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'version') then
version = IO_intValue(line,chunkPos,2_pInt)
if (version < 13) then ! Marc 2016 or earlier
rewind(fileUnit)
do
read (fileUnit,610,END=620) line
chunkPos = IO_stringPos(line)
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'hypoelastic') then if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'hypoelastic') then
do i=1_pInt,3_pInt+hypoelasticTableStyle ! Skip 3 or 4 lines do i=1_pInt,3_pInt+hypoelasticTableStyle ! Skip 3 or 4 lines
read (fileUnit,610,END=620) line read (fileUnit,610,END=620) line
enddo enddo
mesh_NcpElems = mesh_NcpElems + IO_countContinuousIntValues(fileUnit) ! why not simply mesh_NcpElems = IO_countContinuousIntValues(fileUnit)? mesh_NcpElems = mesh_NcpElems + IO_countContinuousIntValues(fileUnit) ! why not simply mesh_NcpElems = IO_countContinuousIntValues(fileUnit)? keyword hypoelastic might appear several times
exit exit
endif endif
enddo enddo
else ! Marc2017 and later
call IO_error(error_ID=701_pInt)
end if
end if
enddo
620 end subroutine mesh_marc_count_cpElements 620 end subroutine mesh_marc_count_cpElements

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@ -198,7 +198,11 @@ contains
! a sanity check ! a sanity check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine numerics_init subroutine numerics_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_error, & IO_error, &

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@ -119,7 +119,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_init(fileUnit) subroutine plastic_disloUCLA_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -198,7 +198,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_init(fileUnit) subroutine plastic_dislotwin_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
dEq0, & dEq0, &
dNeq0, & dNeq0, &

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@ -60,15 +60,18 @@ module plastic_isotropic
flowstress, & flowstress, &
accumulatedShear accumulatedShear
end type end type
type, private :: tIsotropicAbsTol !< internal alias for abs tolerance in state type, private :: tIsotropicAbsTol !< internal alias for abs tolerance in state
real(pReal), pointer :: & ! scalars along NipcMyInstance real(pReal), pointer :: & ! scalars along NipcMyInstance
flowstress, & flowstress, &
accumulatedShear accumulatedShear
end type end type
type(tIsotropicState), allocatable, dimension(:), private :: & !< state aliases per instance type(tIsotropicState), allocatable, dimension(:), private :: & !< state aliases per instance
state, & state, &
state0, & state0, &
dotState dotState
type(tIsotropicAbsTol), allocatable, dimension(:), private :: & !< state aliases per instance type(tIsotropicAbsTol), allocatable, dimension(:), private :: & !< state aliases per instance
stateAbsTol stateAbsTol
@ -87,7 +90,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_isotropic_init(fileUnit) subroutine plastic_isotropic_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive, & debug_constitutive, &
@ -293,9 +300,9 @@ subroutine plastic_isotropic_init(fileUnit)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
sizeState = 2_pInt ! flowstress, accumulated_shear sizeDotState = 2_pInt ! flowstress, accumulated_shear
sizeDotState = sizeState ! both evolve
sizeDeltaState = 0_pInt ! no sudden jumps in state sizeDeltaState = 0_pInt ! no sudden jumps in state
sizeState = sizeDotState + sizeDeltaState
plasticState(phase)%sizeState = sizeState plasticState(phase)%sizeState = sizeState
plasticState(phase)%sizeDotState = sizeDotState plasticState(phase)%sizeDotState = sizeDotState
plasticState(phase)%sizeDeltaState = sizeDeltaState plasticState(phase)%sizeDeltaState = sizeDeltaState

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@ -26,7 +26,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_none_init subroutine plastic_none_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level, & debug_level, &
debug_constitutive, & debug_constitutive, &

File diff suppressed because it is too large Load Diff

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@ -123,7 +123,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_init(fileUnit) subroutine plastic_phenopowerlaw_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
dEq0 dEq0
use debug, only: & use debug, only: &

File diff suppressed because it is too large Load Diff

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@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine porosity_none_init() subroutine porosity_none_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt

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@ -48,7 +48,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine porosity_phasefield_init(fileUnit) subroutine porosity_phasefield_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -40,19 +40,20 @@ module prec
type, public :: tState type, public :: tState
integer(pInt) :: & integer(pInt) :: &
sizeState = 0_pInt, & !< size of state sizeState = 0_pInt, & !< size of state
sizeDotState = 0_pInt, & !< size of dot state, i.e. parts of the state that are integrated sizeDotState = 0_pInt, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
sizeDeltaState = 0_pInt, & !< size of delta state, i.e. parts of the state that have discontinuous rates offsetDeltaState = 0_pInt, & !< offset of delta state
sizeDeltaState = 0_pInt, & !< size of delta state, i.e. state(offset+1:offset+sizeDot) follows time evolution by deltaState increments
sizePostResults = 0_pInt !< size of output data sizePostResults = 0_pInt !< size of output data
real(pReal), pointer, dimension(:), contiguous :: & real(pReal), pointer, dimension(:), contiguous :: &
atolState atolState
real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous
state0, &
state, & !< state state, & !< state
dotState, & !< state rate dotState, & !< rate of state change
state0 deltaState !< increment of state change
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
partionedState0, & partionedState0, &
subState0, & subState0, &
deltaState, &
previousDotState, & !< state rate of previous xxxx previousDotState, & !< state rate of previous xxxx
previousDotState2, & !< state rate two xxxx ago previousDotState2, & !< state rate two xxxx ago
RK4dotState RK4dotState
@ -110,8 +111,11 @@ contains
!> @brief reporting precision !> @brief reporting precision
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine prec_init subroutine prec_init
use, intrinsic :: & #ifdef __GFORTRAN__
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
implicit none implicit none
external :: & external :: &

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@ -63,7 +63,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoBrittle_init(fileUnit) subroutine source_damage_anisoBrittle_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -67,7 +67,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoDuctile_init(fileUnit) subroutine source_damage_anisoDuctile_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -53,7 +53,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_isoBrittle_init(fileUnit) subroutine source_damage_isoBrittle_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -53,7 +53,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_damage_isoDuctile_init(fileUnit) subroutine source_damage_isoDuctile_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -39,7 +39,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_init(fileUnit) subroutine source_thermal_dissipation_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -45,7 +45,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_init(fileUnit) subroutine source_thermal_externalheat_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_vacancy_irradiation_init(fileUnit) subroutine source_vacancy_irradiation_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -39,7 +39,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_vacancy_phenoplasticity_init(fileUnit) subroutine source_vacancy_phenoplasticity_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -41,7 +41,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine source_vacancy_thermalfluc_init(fileUnit) subroutine source_vacancy_thermalfluc_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use debug, only: & use debug, only: &
debug_level,& debug_level,&
debug_constitutive,& debug_constitutive,&

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@ -60,7 +60,11 @@ contains
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info !> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_damage_init() subroutine spectral_damage_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_intOut, & IO_intOut, &
IO_read_realFile, & IO_read_realFile, &

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@ -42,7 +42,9 @@ contains
!! information on computation to screen !! information on computation to screen
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init() subroutine DAMASK_interface_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: &
iso_fortran_env
use system_routines, only: & use system_routines, only: &
getHostName getHostName

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@ -84,7 +84,11 @@ contains
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc) !> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine AL_init subroutine AL_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_intOut, & IO_intOut, &
IO_read_realFile, & IO_read_realFile, &

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@ -72,7 +72,11 @@ contains
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info !> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine basicPETSc_init subroutine basicPETSc_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_intOut, & IO_intOut, &
IO_read_realFile, & IO_read_realFile, &

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@ -84,7 +84,11 @@ contains
!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc) !> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine Polarisation_init subroutine Polarisation_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_intOut, & IO_intOut, &
IO_read_realFile, & IO_read_realFile, &

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@ -60,7 +60,11 @@ contains
!> @brief allocates all neccessary fields and fills them with data, potentially from restart info !> @brief allocates all neccessary fields and fills them with data, potentially from restart info
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine spectral_thermal_init subroutine spectral_thermal_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_intOut, & IO_intOut, &
IO_read_realFile, & IO_read_realFile, &

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@ -160,7 +160,11 @@ contains
!> Initializes FFTW. !> Initializes FFTW.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine utilities_init() subroutine utilities_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_error, & IO_error, &
IO_warning, & IO_warning, &

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@ -46,7 +46,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_adiabatic_init(fileUnit) subroutine thermal_adiabatic_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -47,7 +47,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_init(fileUnit) subroutine thermal_conduction_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_isothermal_init() subroutine thermal_isothermal_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt

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@ -61,7 +61,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine vacancyflux_cahnhilliard_init(fileUnit) subroutine vacancyflux_cahnhilliard_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -44,7 +44,11 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine vacancyflux_isochempot_init(fileUnit) subroutine vacancyflux_isochempot_init(fileUnit)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_lc, & IO_lc, &

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@ -16,7 +16,11 @@ contains
!> @brief allocates all neccessary fields, reads information from material configuration file !> @brief allocates all neccessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine vacancyflux_isoconc_init() subroutine vacancyflux_isoconc_init()
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) #ifdef __GFORTRAN__
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt