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Merge branch 'nice-error-message-add_xxx' into development

This commit is contained in:
Samad Vakili 2020-08-27 12:48:08 +02:00
parent e40ac13cad c5761831e2
commit 792db2975d
131 changed files with 4486 additions and 4249 deletions
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7
.gitlab-ci.yml
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@ -141,13 +141,6 @@ Pre_General:
- release
###################################################################################################
Post_AverageDown:
stage: postprocessing
script: averageDown/test.py
except:
- master
- release
Post_ASCIItable:
stage: postprocessing
script: ASCIItable/test.py

2
PRIVATE

@ -1 +1 @@
Subproject commit 3fc9d58a35614fd8ffa1179e634431eb457d0150
Subproject commit a16d1e45a2ed925e12244b0879b9d7e5a58d973b

2
VERSION
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@ -1 +1 @@
v2.0.3-2945-gb7e03364
v3.0.0-alpha-27-g68c2908b

126
examples/SpectralMethod/Polycrystal/material.config
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@ -1,126 +0,0 @@
#-------------------#
<homogenization>
#-------------------#
[SX]
mech none
#-------------------#
<phase>
#-------------------#
[Aluminum_phenopowerlaw]
elasticity hooke
plasticity phenopowerlaw
(output) resistance_slip
(output) orientation # quaternion
(output) F # deformation gradient tensor
(output) Fe # elastic deformation gradient tensor
(output) Fp # plastic deformation gradient tensor
(output) P # first Piola-Kichhoff stress tensor
(output) Lp # plastic velocity gradient tensor
lattice_structure fcc
Nslip 12 # per family
c11 106.75e9
c12 60.41e9
c44 28.34e9
gdot0_slip 0.001
n_slip 20
tau0_slip 31e6 # per family
tausat_slip 63e6 # per family
a_slip 2.25
h0_slipslip 75e6
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
#-------------------#
<microstructure>
#-------------------#
[Grain01]
(constituent) phase 1 texture 01 fraction 1.0
[Grain02]
(constituent) phase 1 texture 02 fraction 1.0
[Grain03]
(constituent) phase 1 texture 03 fraction 1.0
[Grain04]
(constituent) phase 1 texture 04 fraction 1.0
[Grain05]
(constituent) phase 1 texture 05 fraction 1.0
[Grain06]
(constituent) phase 1 texture 06 fraction 1.0
[Grain07]
(constituent) phase 1 texture 07 fraction 1.0
[Grain08]
(constituent) phase 1 texture 08 fraction 1.0
[Grain09]
(constituent) phase 1 texture 09 fraction 1.0
[Grain10]
(constituent) phase 1 texture 10 fraction 1.0
[Grain11]
(constituent) phase 1 texture 11 fraction 1.0
[Grain12]
(constituent) phase 1 texture 12 fraction 1.0
[Grain13]
(constituent) phase 1 texture 13 fraction 1.0
[Grain14]
(constituent) phase 1 texture 14 fraction 1.0
[Grain15]
(constituent) phase 1 texture 15 fraction 1.0
[Grain16]
(constituent) phase 1 texture 16 fraction 1.0
[Grain17]
(constituent) phase 1 texture 17 fraction 1.0
[Grain18]
(constituent) phase 1 texture 18 fraction 1.0
[Grain19]
(constituent) phase 1 texture 19 fraction 1.0
[Grain20]
(constituent) phase 1 texture 20 fraction 1.0
#-------------------#
<texture>
#-------------------#
[Grain01]
(gauss) phi1 0.0 Phi 0.0 phi2 0.0
[Grain02]
(gauss) phi1 257.468172 Phi 53.250534 phi2 157.331503
[Grain03]
(gauss) phi1 216.994815 Phi 94.418518 phi2 251.147231
[Grain04]
(gauss) phi1 196.157946 Phi 55.870978 phi2 21.68117
[Grain05]
(gauss) phi1 152.515728 Phi 139.769395 phi2 240.036018
[Grain06]
(gauss) phi1 232.521881 Phi 73.749222 phi2 241.429633
[Grain07]
(gauss) phi1 157.531396 Phi 135.503513 phi2 75.737722
[Grain08]
(gauss) phi1 321.03828 Phi 27.209843 phi2 46.413467
[Grain09]
(gauss) phi1 346.918594 Phi 87.495569 phi2 113.554206
[Grain10]
(gauss) phi1 138.038947 Phi 99.827132 phi2 130.935878
[Grain11]
(gauss) phi1 285.021014 Phi 118.092004 phi2 205.270837
[Grain12]
(gauss) phi1 190.402171 Phi 56.738068 phi2 157.896545
[Grain13]
(gauss) phi1 204.496042 Phi 95.031265 phi2 355.814582
[Grain14]
(gauss) phi1 333.21479 Phi 82.133355 phi2 36.736132
[Grain15]
(gauss) phi1 25.572981 Phi 164.242648 phi2 75.195632
[Grain16]
(gauss) phi1 31.366548 Phi 76.392403 phi2 58.071426
[Grain17]
(gauss) phi1 7.278623 Phi 77.044663 phi2 235.118997
[Grain18]
(gauss) phi1 299.743144 Phi 76.475096 phi2 91.184977
[Grain19]
(gauss) phi1 280.13643 Phi 27.439718 phi2 167.871878
[Grain20]
(gauss) phi1 313.204373 Phi 68.676053 phi2 87.993213

123
examples/SpectralMethod/Polycrystal/material.yaml Normal file
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@ -0,0 +1,123 @@
homogenization:
SX:
mech: {type: none}
microstructure:
- constituents:
- fraction: 1.0
orientation: [1.0, 0.0, 0.0, 0.0]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.33012772942625784, -0.6781865350268957, 0.6494525351030648, 0.09638521992649676]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.43596817439583935, -0.5982537129781701, 0.046599032277502436, 0.6707106499919265]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.169734823419553, -0.699615227367322, -0.6059581215838098, -0.33844257746495854]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.9698864809294915, 0.1729052643205874, -0.15948307917616958, 0.06315956884687175]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.46205660912967883, 0.3105054068891252, -0.617849551030653, 0.555294529545738]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.4512443497461787, -0.7636045534540555, -0.04739348426715133, -0.45939142396805815]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.2161856212656443, -0.6581450184826598, -0.5498086209601588, 0.4667112513346289]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.8753220715350803, -0.4561599367657419, -0.13298279533852678, -0.08969369719975541]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.11908260752431069, 0.18266024809834172, -0.7144822594012615, -0.664807992845101]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.751104669484278, 0.5585633382623958, -0.34579336397009175, 0.06538900566860861]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.08740438971703973, 0.8991264096610437, -0.4156704205935976, 0.10559485570696363]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.5584325870096193, 0.6016408353068798, -0.14280340445801173, 0.5529814994483859]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.4052725440888093, 0.25253073423599154, 0.5693263597910454, -0.669215876471182]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.7570164606888676, 0.15265448024694664, -0.5998021466848317, 0.20942796551297105]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.6987659297138081, -0.132172211261028, -0.19693254724422338, 0.6748883269678543]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
orientation: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
phase: Aluminum
homogenization: SX
phase:
Aluminum:
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
generic:
output: [F, P, Fe, Fp, Lp]
lattice: fcc
plasticity:
N_sl: [12]
a_sl: 2.25
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl_sl: 75e6
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
output: [xi_sl]
xi_0_sl: [31e6]
xi_inf_sl: [63e6]
type: phenopowerlaw

184
processing/legacy/imageData.py
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@ -1,184 +0,0 @@
#!/usr/bin/env python3
import os
import sys
from optparse import OptionParser
import numpy as np
from PIL import Image
import damask
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 PNG image from data in given column (or 2D data of overall table).
""", version = scriptID)
parser.add_option('-l','--label',
dest = 'label',
type = 'string', metavar = 'string',
help = 'column containing data [all]')
parser.add_option('-r','--range',
dest = 'range',
type = 'float', nargs = 2, metavar = 'float float',
help = 'data range (min max) [auto]')
parser.add_option('--gap', '--transparent',
dest = 'gap',
type = 'float', metavar = 'float',
help = 'value to treat as transparent [%default]')
parser.add_option('-d','--dimension',
dest = 'dimension',
type = 'int', nargs = 2, metavar = 'int int',
help = 'data dimension (width height) [native]')
parser.add_option('--color',
dest = 'color',
type = 'string', metavar = 'string',
help = 'color scheme [%default]')
parser.add_option('--invert',
dest = 'invert',
action = 'store_true',
help = 'invert color scheme')
parser.add_option('--abs',
dest = 'abs',
action = 'store_true',
help = 'magnitude of values')
parser.add_option('--log',
dest = 'log',
action = 'store_true',
help = 'log10 of values')
parser.add_option('--fliplr',
dest = 'flipLR',
action = 'store_true',
help = 'flip around vertical axis')
parser.add_option('--flipud',
dest = 'flipUD',
action = 'store_true',
help = 'flip around horizontal axis')
parser.add_option('--crop',
dest = 'crop',
type = 'int', nargs = 4, metavar = 'int int int int',
help = 'pixels cropped on left, right, top, bottom')
parser.add_option('-N','--pixelsize',
dest = 'pixelsize',
type = 'int', metavar = 'int',
help = 'pixel per data point')
parser.add_option('-x','--pixelsizex',
dest = 'pixelsizex',
type = 'int', metavar = 'int',
help = 'pixel per data point along x')
parser.add_option('-y','--pixelsizey',
dest = 'pixelsizey',
type = 'int', metavar = 'int',
help = 'pixel per data point along y')
parser.add_option('--show',
dest = 'show',
action = 'store_true',
help = 'show resulting image')
parser.set_defaults(label = None,
range = [0.0,0.0],
gap = None,
dimension = [],
abs = False,
log = False,
flipLR = False,
flipUD = False,
color = "gray",
invert = False,
crop = [0,0,0,0],
pixelsize = 1,
pixelsizex = 1,
pixelsizey = 1,
show = False,
)
(options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if options.pixelsize > 1: (options.pixelsizex,options.pixelsizey) = [options.pixelsize]*2
# --- color palette ---------------------------------------------------------------------------------
theMap = damask.Colormap(predefined = options.color)
if options.invert: theMap = theMap.invert()
theColors = np.uint8(np.array(theMap.export(format = 'list',steps = 256))*255)
# --- loop over input files -------------------------------------------------------------------------
for name in filenames:
try:
table = damask.ASCIItable(name = name, labeled = options.label is not None, readonly = True)
except IOError:
continue
damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------
table.head_read()
# ------------------------------------------ process data ------------------------------------------
missing_labels = table.data_readArray(options.label)
if len(missing_labels) > 0:
damask.util.croak('column {} not found.'.format(options.label))
table.close(dismiss = True) # close ASCIItable and remove empty file
continue
# convert data to values between 0 and 1 and arrange according to given options
if options.dimension != []: table.data = table.data.reshape(options.dimension[1],options.dimension[0])
if options.abs: table.data = np.abs(table.data)
if options.log: table.data = np.log10(table.data);options.range = np.log10(options.range)
if options.flipLR: table.data = np.fliplr(table.data)
if options.flipUD: table.data = np.flipud(table.data)
mask = np.logical_or(table.data == options.gap, np.isnan(table.data))\
if options.gap else np.logical_not(np.isnan(table.data)) # mask gap and NaN (if gap present)
if np.all(np.array(options.range) == 0.0):
options.range = [table.data[mask].min(),
table.data[mask].max()]
damask.util.croak('data range: {0} – {1}'.format(*options.range))
delta = max(options.range) - min(options.range)
avg = 0.5*(max(options.range) + min(options.range))
if delta * 1e8 <= avg: # delta around numerical noise
options.range = [min(options.range) - 0.5*avg, max(options.range) + 0.5*avg] # extend range to have actual data centered within
table.data = (table.data - min(options.range)) / \
(max(options.range) - min(options.range))
table.data = np.clip(table.data,0.0,1.0).\
repeat(options.pixelsizex,axis = 1).\
repeat(options.pixelsizey,axis = 0)
mask = mask.\
repeat(options.pixelsizex,axis = 1).\
repeat(options.pixelsizey,axis = 0)
(height,width) = table.data.shape
damask.util.croak('image dimension: {0} x {1}'.format(width,height))
im = Image.fromarray(np.dstack((theColors[np.array(255*table.data,dtype = np.uint8)],
255*mask.astype(np.uint8))), 'RGBA').\
crop(( options.crop[0],
options.crop[2],
width -options.crop[1],
height-options.crop[3]))
# ------------------------------------------ output result -----------------------------------------
im.save(sys.stdout if not name else
os.path.splitext(name)[0]+ \
('' if options.label is None else '_'+options.label)+ \
'.png',
format = "PNG")
table.close() # close ASCII table
if options.show: im.show()

134
processing/legacy/imageDataRGB.py
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@ -1,134 +0,0 @@
#!/usr/bin/env python3
import os
import sys
from optparse import OptionParser
import numpy as np
from PIL import Image
import damask
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 PNG image from data in given column vector containing RGB tuples.
""", version = scriptID)
parser.add_option('-l','--label',
dest = 'label',
type = 'string', metavar = 'string',
help = 'column containing RGB triplet')
parser.add_option('-d','--dimension',
dest = 'dimension',
type = 'int', nargs = 2, metavar = 'int int',
help = 'data dimension (width height)')
parser.add_option('--fliplr',
dest = 'flipLR',
action = 'store_true',
help = 'flip around vertical axis')
parser.add_option('--flipud',
dest = 'flipUD',
action = 'store_true',
help = 'flip around horizontal axis')
parser.add_option('--crop',
dest = 'crop',
type = 'int', nargs = 4, metavar = ' '.join(['int']*4),
help = 'pixels cropped on left, right, top, bottom')
parser.add_option('-N','--pixelsize',
dest = 'pixelsize',
type = 'int', metavar = 'int',
help = 'pixels per data point')
parser.add_option('-x','--pixelsizex',
dest = 'pixelsizex',
type = 'int', metavar = 'int',
help = 'pixels per data point along x')
parser.add_option('-y','--pixelsizey',
dest = 'pixelsizey',
type = 'int', metavar = 'int',
help = 'pixels per data point along y')
parser.add_option('--show',
dest = 'show',
action = 'store_true',
help = 'show resulting image')
parser.set_defaults(label = None,
dimension = [],
flipLR = False,
flipUD = False,
crop = [0,0,0,0],
pixelsize = 1,
pixelsizex = 1,
pixelsizey = 1,
show = False,
)
(options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
if options.dimension == []: parser.error('dimension of data array missing')
if options.pixelsize > 1: (options.pixelsizex,options.pixelsizey) = [options.pixelsize]*2
# --- loop over input files -------------------------------------------------------------------------
for name in filenames:
try:
table = damask.ASCIItable(name = name, labeled = options.label is not None, readonly = True)
except IOError:
continue
damask.util.report(scriptName,name)
# ------------------------------------------ read header ------------------------------------------
table.head_read()
# ------------------------------------------ process data ------------------------------------------
errors = []
missing_labels = table.data_readArray(options.label)
if len(missing_labels) > 0:
errors.append('column{} {} not found'.format('s' if len(missing_labels) > 1 else '',
', '.join(missing_labels)))
if table.label_dimension(options.label) != 3:
errors.append('column {} does not have dimension'.format(options.label))
if errors != []:
damask.util.croak(errors)
table.close(dismiss = True) # close ASCII table file handles and delete output file
continue
# convert data to shape and arrange according to given options
if options.dimension != []: table.data = table.data.reshape(options.dimension[1],options.dimension[0],3)
if options.flipLR: table.data = np.fliplr(table.data)
if options.flipUD: table.data = np.flipud(table.data)
table.data = table.data.repeat(options.pixelsizex,axis=1).\
repeat(options.pixelsizey,axis=0)
table.data *= 1. if np.any(table.data > 1.0) else 255.0 # ensure 8 bit data range
(height,width,bands) = table.data.shape
damask.util.croak('image dimension: {0} x {1}'.format(width,height))
im = Image.fromarray(table.data.astype('uint8'), 'RGB').\
crop(( options.crop[0],
options.crop[2],
width -options.crop[1],
height-options.crop[3]))
# ------------------------------------------ output result -----------------------------------------
im.save(os.path.splitext(name)[0]+ \
('_'+options.label if options.label else '')+ \
'.png' if name else sys.stdout,
format = "PNG")
table.close() # close ASCII table
if options.show: im.show()

98
processing/post/averageDown.py
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@ -1,98 +0,0 @@
#!/usr/bin/env python3
import os
import sys
from io import StringIO
from optparse import OptionParser
import numpy as np
import scipy.ndimage
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
Average each data block of size 'packing' into single values thus reducing the former grid to grid/packing.
""", version = scriptID)
parser.add_option('-c','--coordinates',
dest = 'pos',
type = 'string', metavar = 'string',
help = 'column label of coordinates [%default]')
parser.add_option('-p','--packing',
dest = 'packing',
type = 'int', nargs = 3, metavar = 'int int int',
help = 'size of packed group [%default]')
parser.add_option('--shift',
dest = 'shift',
type = 'int', nargs = 3, metavar = 'int int int',
help = 'shift vector of packing stencil [%default]')
parser.add_option('-g', '--grid',
dest = 'grid',
type = 'int', nargs = 3, metavar = 'int int int',
help = 'grid in x,y,z (optional)')
parser.add_option('-s', '--size',
dest = 'size',
type = 'float', nargs = 3, metavar = 'float float float',
help = 'size in x,y,z (optional)')
parser.set_defaults(pos = 'pos',
packing = (2,2,2),
shift = (0,0,0),
)
(options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
packing = np.array(options.packing,dtype = int)
shift = np.array(options.shift, dtype = int)
prefix = 'averagedDown{}x{}x{}_'.format(*packing)
if any(shift != 0): prefix += 'shift{:+}{:+}{:+}_'.format(*shift)
for name in filenames:
damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
if (options.grid is None or options.size is None):
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
else:
grid = np.array(options.grid,'i')
size = np.array(options.size,'d')
packing = np.where(grid == 1,1,packing) # reset packing to 1 where grid==1
shift = np.where(grid == 1,0,shift) # reset shift to 0 where grid==1
packedGrid = np.maximum(np.ones(3,'i'),grid//packing)
data = table.data.values.reshape(tuple(grid)+(-1,),order = 'F')
averagedDown = scipy.ndimage.filters.uniform_filter( \
np.roll(
np.roll(
np.roll(data,
-shift[0],axis = 0),
-shift[1],axis = 1),
-shift[2],axis = 2),
size = list(packing) + [1],
mode = 'wrap',
origin = list(-(packing//2)) + [0])\
[::packing[0],::packing[1],::packing[2],:].reshape((packedGrid.prod(),-1),order = 'F')
table = damask.Table(averagedDown,table.shapes,table.comments)
coords = damask.grid_filters.cell_coord0(packedGrid,size,shift/packedGrid*size+origin)
table.set(options.pos, coords.reshape(-1,3,order='F'))
outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
table.to_ASCII(sys.stdout if name is None else outname)

72
processing/post/blowUp.py
View File

@ -1,72 +0,0 @@
#!/usr/bin/env python3
import os
import sys
from io import StringIO
from optparse import OptionParser
from scipy import ndimage
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
Blows up each value to a surrounding data block of size 'packing' thus increasing the former resolution
to resolution*packing.
""", version = scriptID)
parser.add_option('-c','--coordinates',
dest = 'pos', metavar = 'string',
help = 'column label of coordinates [%default]')
parser.add_option('-p','--packing',
dest = 'packing', type = 'int', nargs = 3, metavar = 'int int int',
help = 'dimension of packed group [%default]')
parser.add_option('-g','--grid',
dest = 'resolution', type = 'int', nargs = 3, metavar = 'int int int',
help = 'grid in x,y,z (optional)')
parser.add_option('-s','--size',
dest = 'dimension', type = 'float', nargs = 3, metavar = 'int int int',
help = 'size in x,y,z (optional)')
parser.set_defaults(pos = 'pos',
packing = (2,2,2),
grid = (0,0,0),
size = (0.0,0.0,0.0),
)
(options,filenames) = parser.parse_args()
if filenames == []: filenames = [None]
options.packing = np.array(options.packing)
prefix = 'blowUp{}x{}x{}_'.format(*options.packing)
for name in filenames:
damask.util.report(scriptName,name)
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid,size,origin = damask.grid_filters.cell_coord0_gridSizeOrigin(table.get(options.pos))
packing = np.array(options.packing,'i')
outSize = grid*packing
data = table.data.values.reshape(tuple(grid)+(-1,),order='F')
blownUp = ndimage.interpolation.zoom(data,tuple(packing)+(1,),order=0,mode='nearest').reshape(outSize.prod(),-1,order='F')
table = damask.Table(blownUp,table.shapes,table.comments)
coords = damask.grid_filters.cell_coord0(outSize,size,origin)
table.set(options.pos,coords.reshape(-1,3,order='F'))
table.set('elem',np.arange(1,outSize.prod()+1))
outname = os.path.join(os.path.dirname(name),prefix+os.path.basename(name))
table.to_ASCII(sys.stdout if name is None else outname)

198
processing/post/vtk2ang.py
View File

@ -1,4 +1,4 @@
#!/usr/bin/env python2.7
#!/usr/bin/env python3
import os
import sys
@ -11,54 +11,50 @@ import vtk
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# -----------------------------
def getHeader(filename,sizeFastIndex,sizeSlowIndex,stepsize):
"""Returns header for ang file step size in micrometer"""
return '\n'.join([ \
'# TEM_PIXperUM 1.000000', \
'# x-star 1.000000', \
'# y-star 1.000000', \
'# z-star 1.000000', \
'# WorkingDistance 18.000000', \
'#', \
'# Phase 1', \
'# MaterialName XX', \
'# Formula XX', \
'# Info', \
'# Symmetry 43', \
'# LatticeConstants 2.870 2.870 2.870 90.000 90.000 90.000', \
'# NumberFamilies 1', \
'# hklFamilies 1 1 0 1 0.000000 1', \
'# Categories 0 0 0 0 0 ', \
'#', \
'# GRID: SqrGrid', \
'# XSTEP: ' + str(stepsize*1e6), \
'# YSTEP: ' + str(stepsize*1e6), \
'# NCOLS_ODD: ' + str(sizeFastIndex), \
'# NCOLS_EVEN: ' + str(sizeFastIndex), \
'# NROWS: ' + str(sizeSlowIndex), \
'#', \
'# OPERATOR: ' + string.replace('$Id$','\n','\\n'), \
'#', \
'# SAMPLEID: %s'%filename, \
'#', \
'# SCANID: ', \
'#', \
"""Returns header for ang file step size in micrometer."""
return '\n'.join([
'# TEM_PIXperUM 1.000000',
'# x-star 1.000000',
'# y-star 1.000000',
'# z-star 1.000000',
'# WorkingDistance 18.000000',
'#',
'# Phase 1',
'# MaterialName XX',
'# Formula XX',
'# Info',
'# Symmetry 43',
'# LatticeConstants 2.870 2.870 2.870 90.000 90.000 90.000',
'# NumberFamilies 1',
'# hklFamilies 1 1 0 1 0.000000 1',
'# Categories 0 0 0 0 0 ',
'#',
'# GRID: SqrGrid',
'# XSTEP: ' + str(stepsize*1e6),
'# YSTEP: ' + str(stepsize*1e6),
'# NCOLS_ODD: ' + str(sizeFastIndex),
'# NCOLS_EVEN: ' + str(sizeFastIndex),
'# NROWS: ' + str(sizeSlowIndex),
'#',
'# OPERATOR: ' + string.replace('$Id$','\n','\\n'),
'#',
'# SAMPLEID: {}'.format(filename),
'#',
'# SCANID: ',
'#',
]) + '\n'
# -----------------------------
def positiveRadians(angle):
"""Returns positive angle in radians from angle in degrees"""
angle = math.radians(float(angle))
while angle < 0.0:
angle += 2.0 * math.pi
return angle
"""Returns positive angle in radians from angle in degrees."""
return math.radians(float(angle)) % (2.*math.pi)
# -----------------------------
@ -67,7 +63,7 @@ def getDataLine(angles,x,y,validData=True):
Returns string of one line in ang file.
Convention in ang file: y coordinate comes first and is fastest index
positions in micrometer
positions in micrometer.
"""
info = {True: (9999.9, 1.0, 0,99999,0.0),
False: ( -1.0,-1.0,-1, -1,1.0)}
@ -75,18 +71,16 @@ def getDataLine(angles,x,y,validData=True):
%(tuple(map(positiveRadians,angles))+(y*1e6,x*1e6)+info[validData])
# --------------------------------------------------------------------
# MAIN FUNCTION STARTS HERE
# --------------------------------------------------------------------
parser = OptionParser(usage='%prog options [file[s]]', description = """
Builds a ang files from a vtk file.
""", version = scriptID)
parser.add_option('--disp','--displacement',dest='dispLabel',
parser.add_option('--disp','--displacement',dest='dispLabel',
metavar ='string',
help='label of displacements [%default]')
parser.add_option('--euler', dest='eulerLabel', nargs=3,
@ -110,11 +104,6 @@ parser.add_option('-s','--scale', dest='scale', type='float',
parser.add_option('-r','--resolution', dest='resolution', type='float',
metavar ='float',
help='scaling factor for resolution [%default]')
parser.add_option('--hex','--hexagonal', dest='hexagonal', action='store_true',
help='use in plane hexagonal grid')
parser.add_option('--interpolation', dest='interpolation', type='int',
metavar='float',
help='number of points for linear interpolation [%default]')
parser.add_option('--verbose', dest='verbose', action='store_true',
help='verbose mode')
parser.add_option('--visualize', dest='visualize', action='store_true',
@ -122,7 +111,6 @@ parser.add_option('--visualize', dest='visualize', action='store_true
parser.set_defaults(dispLabel = 'displacement')
parser.set_defaults(eulerLabel = ['1_1_eulerangles','1_2_eulerangles','1_3_eulerangles'])
parser.set_defaults(hexagonal = False)
parser.set_defaults(normal = [0.0,0.0,-1.0])
parser.set_defaults(up = [0.0,1.0,0.0])
parser.set_defaults(Nslices = 1)
@ -130,7 +118,6 @@ parser.set_defaults(distance = 0.0)
parser.set_defaults(scale = 1.0)
parser.set_defaults(resolution = 1.0)
parser.set_defaults(dispScaling = 1.0)
parser.set_defaults(interpolation = 1)
parser.set_defaults(verbose = False)
parser.set_defaults(visualize = False)
(options,filenames) = parser.parse_args()
@ -153,35 +140,26 @@ if np.dot(np.array(options.normal),np.array(options.up)) > 1e-3:
parser.error('normal vector and up vector have to be orthogonal')
# check for options that are not yet implemented
if options.interpolation > 1:
parser.error('interpolation not yet supported')
if options.hexagonal:
parser.error('hexagonal grid not yet supported')
#--- ITERATE OVER FILES AND PROCESS THEM
for filename in filenames:
if options.verbose: sys.stdout.write("\nREADING VTK FILE\n")
# Read the source file
reader = vtk.vtkUnstructuredGridReader()
reader.SetFileName(filename)
reader.ReadAllScalarsOn()
reader.ReadAllVectorsOn()
reader.Update()
reader.Update()
undeformedMesh = reader.GetOutput()
# Get euler angles from cell data
if options.verbose: sys.stdout.write("\nGETTING EULER ANGLES\n")
angles = {}
for i in range(reader.GetNumberOfScalarsInFile()):
scalarName = reader.GetScalarsNameInFile(i)
for i in range(undeformedMesh.GetPointData().GetNumberOfArrays()):
scalarName = undeformedMesh.GetPointData().GetArrayName(i)
if scalarName in options.eulerLabel:
angles[scalarName] = undeformedMesh.GetCellData().GetScalars(scalarName)
if options.verbose: sys.stdout.write(" found scalar with name %s\n"%scalarName)
@ -189,14 +167,14 @@ for filename in filenames:
for label in options.eulerLabel:
if label not in angles.keys():
parser.error('Could not find scalar data with name %s'%label)
# Get deformed mesh
if options.verbose: sys.stdout.write("\nDEFORM MESH\n")
warpVector = vtk.vtkWarpVector()
undeformedMesh.GetPointData().SetActiveVectors(options.dispLabel)
warpVector.SetInput(undeformedMesh)
warpVector.SetInputData(undeformedMesh)
warpVector.Update()
deformedMesh = warpVector.GetOutput()
box = deformedMesh.GetBounds() # bounding box in mesh system
@ -208,24 +186,24 @@ for filename in filenames:
# Get cell centers of deformed mesh (position of ips)
if options.verbose: sys.stdout.write("\nGETTING CELL CENTERS OF DEFORMED MESH\n")
cellCenter = vtk.vtkCellCenters()
cellCenter.SetVertexCells(0) # do not generate vertex cells, just points
cellCenter.SetInput(deformedMesh)
cellCenter.SetInputData(deformedMesh)
cellCenter.Update()
meshIPs = cellCenter.GetOutput()
# Get outer surface of deformed mesh
if options.verbose: sys.stdout.write("\nGETTING OUTER SURFACE OF DEFORMED MESH\n")
surfaceFilter = vtk.vtkDataSetSurfaceFilter()
surfaceFilter.SetInput(deformedMesh)
surfaceFilter.SetInputData(deformedMesh)
surfaceFilter.Update()
surface = surfaceFilter.GetOutput()
# Get coordinate system for ang files
# z-vector is normal to slices
# x-vector corresponds to the up-direction
@ -248,11 +226,11 @@ for filename in filenames:
# Get bounding box in rotated system (x,y,z)
if options.verbose: sys.stdout.write("\nGETTING BOUNDING BOX IN ROTATED SYSTEM\n")
rotatedbox = [[np.inf,-np.inf] for i in range(3)] # bounding box in rotated TSL system
for n in range(8): # loop over eight vertices of mesh bounding box
vert = np.array([box[0+(n/1)%2],
box[2+(n/2)%2],
box[4+(n/4)%2]]) # vertex in mesh system
rotatedbox = [[np.inf,-np.inf] for i in range(3)] # bounding box in rotated TSL system
for n in range(8): # loop over eight vertices of mesh bounding box
vert = np.array([box[0+(n//1)%2],
box[2+(n//2)%2],
box[4+(n//4)%2]]) # vertex in mesh system
rotatedvert = np.dot(R,vert) # vertex in rotated system
for i in range(3):
rotatedbox[i][0] = min(rotatedbox[i][0],rotatedvert[i])
@ -274,7 +252,7 @@ for filename in filenames:
for i in range(2):
Npoints.extend([int(math.ceil(extent[i] / options.resolution))])
correction.extend([float(Npoints[i]) * options.resolution - extent[i]])
if options.distance > 0.0:
if options.distance > 0.0:
Npoints.extend([int(math.ceil(extent[2] / options.distance))])
correction.extend([float(Npoints[2]) * options.distance - extent[2]])
else:
@ -282,8 +260,8 @@ for filename in filenames:
correction.extend([0.0])
options.distance = extent[2] / float(options.Nslices)
for i in range(3):
rotatedbox[i][0] = rotatedbox[i][0] - 0.5 * correction[i]
rotatedbox[i][1] = rotatedbox[i][1] + 0.5 * correction[i]
rotatedbox[i][0] -= 0.5 * correction[i]
rotatedbox[i][1] += 0.5 * correction[i]
extent[i] = rotatedbox[i][1] - rotatedbox[i][0]
NpointsPerSlice = Npoints[0] * Npoints[1]
totalNpoints = NpointsPerSlice * Npoints[2]
@ -301,20 +279,20 @@ for filename in filenames:
if options.verbose: sys.stdout.write("\nGENERATING POINTS FOR POINT GRID")
points = vtk.vtkPoints()
for k in range(Npoints[2]):
for j in range(Npoints[0]):
for j in range(Npoints[0]):
for i in range(Npoints[1]): # y is fastest index
rotatedpoint = np.array([rotatedbox[0][0] + (float(j) + 0.5) * options.resolution,
rotatedbox[1][0] + (float(i) + 0.5) * options.resolution,
rotatedbox[2][0] + (float(k) + 0.5) * options.distance ]) # point in rotated system
rotatedbox[1][0] + (float(i) + 0.5) * options.resolution,
rotatedbox[2][0] + (float(k) + 0.5) * options.distance ]) # point in rotated system
point = np.dot(R.T,rotatedpoint) # point in mesh system
points.InsertNextPoint(list(point))
if options.verbose:
if options.verbose:
sys.stdout.write("\rGENERATING POINTS FOR POINT GRID %d%%" %(100*(Npoints[1]*(k*Npoints[0]+j)+i+1)/totalNpoints))
sys.stdout.flush()
if options.verbose:
if options.verbose:
sys.stdout.write("\n number of slices: %i\n"%Npoints[2])
sys.stdout.write(" slice spacing: %.8f\n"%options.distance)
if Npoints[2] > 1:
if Npoints[2] > 1:
sys.stdout.write(" number of points per slice: %i = %i rows * %i points in row\n"%(NpointsPerSlice,Npoints[0],Npoints[1]))
sys.stdout.write(" grid resolution: %.8f\n"%options.resolution)
@ -324,7 +302,7 @@ for filename in filenames:
vertex = vtk.vtkVertex()
vertex.GetPointIds().SetId(0,i) # each vertex consists of exactly one (index 0) point with ID "i"
vertices.InsertNextCell(vertex)
if options.verbose:
if options.verbose:
sys.stdout.write("\rGENERATING VERTICES FOR POINT GRID %d%%" %(100*(i+1)/totalNpoints))
sys.stdout.flush()
@ -357,34 +335,34 @@ for filename in filenames:
if enclosedPoints.IsInside(i):
NenclosedPoints += 1
# here one could use faster(?) "FindClosestPoint" if only first nearest neighbor required
kdTree.FindClosestNPoints(options.interpolation,pointgrid.GetPoint(i),ids)
for j in range(ids.GetNumberOfIds()):
kdTree.FindClosestNPoints(1,pointgrid.GetPoint(i),ids)
for j in range(ids.GetNumberOfIds()):
gridToMesh[-1].extend([ids.GetId(j)])
if options.verbose:
if options.verbose:
sys.stdout.write("\rBUILDING MAPPING OF GRID POINTS %d%%" %(100*(i+1)/totalNpoints))
sys.stdout.flush()
if options.verbose:
sys.stdout.write("\n Number of points inside mesh geometry %i\n"%NenclosedPoints)
sys.stdout.write(" Number of points outside mesh geometry %i\n"%(totalNpoints - NenclosedPoints))
# ITERATE OVER SLICES AND CREATE ANG FILE
if options.verbose:
if options.verbose:
sys.stdout.write("\nWRITING OUT ANG FILES\n")
sys.stdout.write(" scaling all length with %f\n"%options.scale)
x0,y0,z0 = np.dot(R,pointgrid.GetPoint(0)) # first point on slice defines origin
for sliceN in range(Npoints[2]):
# Open file and write header
angfilename = eval('"'+eval("'%%s_slice%%0%ii.ang'%(math.log10(Npoints[2])+1)")+'"%(os.path.splitext(filename)[0],sliceN+1)')
with open(angfilename,'w') as angfile:
if options.verbose: sys.stdout.write(" %s\n"%angfilename)
angfile.write(getHeader(filename,Npoints[1],Npoints[0],options.resolution*options.scale))
for i in range(sliceN*NpointsPerSlice,(sliceN+1)*NpointsPerSlice): # Iterate over points on slice
# Get euler angles of closest IDs
@ -397,26 +375,26 @@ for filename in filenames:
phi[-1].extend([angles[options.eulerLabel[k]].GetValue(IP)])
else:
phi = [[720,720,720]] # fake angles
# Interpolate Euler angle
# NOT YET IMPLEMENTED, simply take the nearest neighbors values
interpolatedPhi = phi[0]
# write data to ang file
x,y,z = np.dot(R,pointgrid.GetPoint(i)) # point in rotated TSL system
x -= x0 # first point on slice defines origin
y -= y0 # first point on slice defines origin
x -= x0 # first point on slice defines origin
y -= y0 # first point on slice defines origin
x *= options.scale
y *= options.scale
angfile.write(getDataLine(interpolatedPhi,x,y,enclosedPoints.IsInside(i)))
# Visualize slices
if options.visualize:
meshMapper = vtk.vtkDataSetMapper()
meshMapper.SetInput(surface)
@ -426,11 +404,11 @@ for filename in filenames:
meshActor.GetProperty().SetOpacity(0.2)
meshActor.GetProperty().SetColor(1.0,1.0,0)
meshActor.GetProperty().BackfaceCullingOn()
boxpoints = vtk.vtkPoints()
for n in range(8):
P = [rotatedbox[0][(n/1)%2],
rotatedbox[1][(n/2)%2],
rotatedbox[1][(n/2)%2],
rotatedbox[2][(n/4)%2]]
boxpoints.InsertNextPoint(list(np.dot(R.T,np.array(P))))
box = vtk.vtkHexahedron()
@ -469,7 +447,7 @@ for filename in filenames:
renderer.AddActor(boxActor)
renderer.AddActor(gridActor)
renderer.SetBackground(1,1,1)
renderWindow.Render()
renderWindowInteractor.SetInteractorStyle(vtk.vtkInteractorStyleTrackballCamera())
renderWindowInteractor.Start()

135
processing/pre/geom_addPrimitive.py
View File

@ -1,135 +0,0 @@
#!/usr/bin/env python3
import os
import sys
from io import StringIO
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [geomfile(s)]', description = """
Inserts a primitive geometric object at a given position.
These objects can be boxes, cylinders, or ellipsoids.
""", version = scriptID)
parser.add_option('-c', '--center',
dest='center',
type='float', nargs = 3, metavar=' '.join(['float']*3),
help='a,b,c origin of primitive %default')
parser.add_option('-d', '--dimension',
dest='dimension',
type='float', nargs = 3, metavar=' '.join(['float']*3),
help='a,b,c extension of hexahedral box')
parser.add_option('-e', '--exponent',
dest='exponent',
type='float', nargs = 3, metavar=' '.join(['float']*3),
help='i,j,k exponents for axes: '+
'0 gives octahedron (|x|^(2^0) + |y|^(2^0) + |z|^(2^0) < 1), '+
'1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1), '+
'large values produce boxes, negative turn concave.')
parser.add_option('-f', '--fill',
dest='fill',
type='float', metavar = 'int',
help='microstructure index to fill primitive, defaults to max microstructure index + 1')
parser.add_option('-q', '--quaternion',
dest='quaternion',
type='float', nargs = 4, metavar=' '.join(['float']*4),
help = 'rotation of primitive as quaternion')
parser.add_option('-a', '--angleaxis',
dest='angleaxis',
type=float, nargs = 4, metavar=' '.join(['float']*4),
help = 'axis and angle to rotate primitive')
parser.add_option( '--degrees',
dest='degrees',
action='store_true',
help = 'angle is given in degrees')
parser.add_option( '--nonperiodic',
dest='periodic',
action='store_false',
help = 'wrap around edges')
parser.add_option( '--realspace',
dest='realspace',
action='store_true',
help = '-c and -d span [origin,origin+size] instead of [0,grid] coordinates')
parser.add_option( '--invert',
dest='inside',
action='store_false',
help = 'invert the volume filled by the primitive (inside/outside)')
parser.set_defaults(center = (.0,.0,.0),
degrees = False,
exponent = (20,20,20), # box shape by default
periodic = True,
realspace = False,
inside = True,
)
(options, filenames) = parser.parse_args()
if options.dimension is None:
parser.error('no dimension specified.')
if [options.angleaxis,options.quaternion].count(None) == 0:
parser.error('more than one rotation specified.')
if options.angleaxis is not None:
rotation = damask.Rotation.from_axis_angle(np.array(options.angleaxis),options.degrees,normalise=True)
elif options.quaternion is not None:
rotation = damask.Rotation.from_quaternion(options.quaternion)
else:
rotation = damask.Rotation()
if filenames == []: filenames = [None]
for name in filenames:
damask.util.report(scriptName,name)
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
grid = geom.get_grid()
size = geom.get_size()
# scale to box of size [1.0,1.0,1.0]
if options.realspace:
center = (np.array(options.center) - geom.get_origin())/size
r = np.array(options.dimension)/size/2.0
else:
center = (np.array(options.center) + 0.5)/grid
r = np.array(options.dimension)/grid/2.0
if np.any(center<0.0) or np.any(center>=1.0): print('error')
offset = np.ones(3)*0.5 if options.periodic else center
mask = np.full(grid,False)
# High exponents can cause underflow & overflow - okay here, just compare to 1, so +infinity and 0 are fine
np.seterr(over='ignore', under='ignore')
e = 2.0**np.array(options.exponent)
for x in range(grid[0]):
for y in range(grid[1]):
for z in range(grid[2]):
coords = np.array([x+0.5,y+0.5,z+0.5])/grid
mask[x,y,z] = np.sum(np.abs((rotation*(coords-offset))/r)**e) < 1
if options.periodic:
shift = ((offset-center)*grid).astype(int)
mask = np.roll(mask,shift,(0,1,2))
if options.inside: mask = np.logical_not(mask)
fill = np.nanmax(geom.microstructure)+1 if options.fill is None else options.fill
damask.util.croak(geom.update(np.where(mask,geom.microstructure,fill)))
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
geom.to_file(sys.stdout if name is None else name,pack=False)

85
processing/pre/geom_vicinityOffset.py
View File

@ -1,85 +0,0 @@
#!/usr/bin/env python3
import os
import sys
from io import StringIO
from optparse import OptionParser
from scipy import ndimage
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
def taintedNeighborhood(stencil,trigger=[],size=1):
me = stencil[stencil.shape[0]//2]
if len(trigger) == 0:
return np.any(stencil != me)
if me in trigger:
trigger = set(trigger)
trigger.remove(me)
trigger = list(trigger)
return np.any(np.in1d(stencil,np.array(trigger)))
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [geomfile(s)]', description = """
Offset microstructure index for points which see a microstructure different from themselves
(or listed as triggers) within a given (cubic) vicinity, i.e. within the region close to a grain/phase boundary.
""", version = scriptID)
parser.add_option('-v', '--vicinity',
dest = 'vicinity',
type = 'int', metavar = 'int',
help = 'voxel distance checked for presence of other microstructure [%default]')
parser.add_option('-o', '--offset',
dest='offset',
type = 'int', metavar = 'int',
help='offset (positive or negative) to tag microstructure indices, defaults to max microstructure index')
parser.add_option('-t', '--trigger',
dest = 'trigger',
action = 'extend', metavar = '<int LIST>',
help = 'list of microstructure indices triggering a change')
parser.add_option('-n', '--nonperiodic',
dest = 'mode',
action = 'store_const', const = 'nearest',
help = 'assume geometry to be non-periodic')
parser.set_defaults(vicinity = 1,
trigger = [],
mode = 'wrap',
)
(options, filenames) = parser.parse_args()
options.trigger = np.array(options.trigger, dtype=int)
if filenames == []: filenames = [None]
for name in filenames:
damask.util.report(scriptName,name)
geom = damask.Geom.from_file(StringIO(''.join(sys.stdin.read())) if name is None else name)
offset = np.nanmax(geom.microstructure) if options.offset is None else options.offset
damask.util.croak(geom.update(np.where(ndimage.filters.generic_filter(
geom.microstructure,
taintedNeighborhood,
size=1+2*options.vicinity,mode=options.mode,
extra_arguments=(),
extra_keywords={"trigger":options.trigger,"size":1+2*options.vicinity}),
geom.microstructure + offset,geom.microstructure)))
geom.add_comments(scriptID + ' ' + ' '.join(sys.argv[1:]))
geom.to_file(sys.stdout if name is None else name,pack=False)

11
processing/pre/mentat_pbcOnBoxMesh.py
View File

@ -1,9 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import sys,os,re,time,tempfile
import numpy as np
import sys
import os
import re
import time
import tempfile
from optparse import OptionParser
import numpy as np
import damask
sys.path.append(str(damask.solver.Marc().library_path))

12
processing/pre/mentat_spectralBox.py
View File

@ -20,7 +20,6 @@ def outMentat(cmd,locals):
py_mentat.py_send(cmd)
else:
py_mentat.py_send(cmd)
return
#-------------------------------------------------------------------------------------------------
def outFile(cmd,locals,dest):
@ -31,7 +30,6 @@ def outFile(cmd,locals,dest):
dest.write(cmd+'\n')
else:
dest.write(cmd+'\n')
return
#-------------------------------------------------------------------------------------------------
def output(cmds,locals,dest):
@ -43,8 +41,6 @@ def output(cmds,locals,dest):
outMentat(str(cmd),locals)
else:
outFile(str(cmd),locals,dest)
return
#-------------------------------------------------------------------------------------------------
@ -105,7 +101,7 @@ def mesh(r,d):
#-------------------------------------------------------------------------------------------------
def material():
cmds = [\
return [\
"*new_mater standard",
"*mater_option general:state:solid",
"*mater_option structural:type:hypo_elast",
@ -119,12 +115,10 @@ def material():
"all_existing",
]
return cmds
#-------------------------------------------------------------------------------------------------
def geometry():
cmds = [\
return [\
"*geometry_type mech_three_solid",
# "*geometry_option red_integ_capacity:on",
"*add_geometry_elements",
@ -134,8 +128,6 @@ def geometry():
"all_existing",
]
return cmds
#-------------------------------------------------------------------------------------------------
def initial_conditions(homogenization,microstructures):

50
python/damask/_colormap.py
View File

@ -8,8 +8,9 @@ if os.name == 'posix' and 'DISPLAY' not in os.environ:
mpl.use('Agg')
import matplotlib.pyplot as plt
from matplotlib import cm
from PIL import Image
import damask
from . import util
from . import Table
_eps = 216./24389.
@ -50,7 +51,7 @@ class Colormap(mpl.colors.ListedColormap):
Color definition for minimum value.
high : numpy.ndarray of shape (3)
Color definition for maximum value.
N : integer, optional
N : int, optional
The number of color quantization levels. Defaults to 256.
name : str, optional
The name of the colormap. Defaults to `DAMASK colormap`.
@ -161,6 +162,47 @@ class Colormap(mpl.colors.ListedColormap):
print(' '+', '.join(cat[1]))
def shade(self,field,bounds=None,gap=None):
"""
Generate PIL image of 2D field using colormap.
Parameters
----------
field : numpy.array of shape(:,:)
Data to be shaded.
bounds : iterable of len(2), optional
Colormap value range (low,high).
gap : field.dtype, optional
Transparent value. NaN will always be rendered transparent.
Returns
-------
PIL.Image
RGBA image of shaded data.
"""
N = len(self.colors)
mask = np.logical_not(np.isnan(field) if gap is None else \
np.logical_or (np.isnan(field), field == gap)) # mask NaN (and gap if present)
lo,hi = (field[mask].min(),field[mask].max()) if bounds is None else \
(min(bounds[:2]),max(bounds[:2]))
delta,avg = hi-lo,0.5*(hi+lo)
if delta * 1e8 <= avg: # delta is similar to numerical noise
hi,lo = hi+0.5*avg,lo-0.5*avg # extend range to have actual data centered within
return Image.fromarray(
(np.dstack((
self.colors[(np.round(np.clip((field-lo)/(hi-lo),0.0,1.0)*(N-1))).astype(np.uint16),:3],
mask.astype(float)
)
)*255
).astype(np.uint8),
mode='RGBA')
def show(self,aspect=10,vertical=False):
"""Show colormap as matplotlib figure."""
fig = plt.figure(figsize=(5/aspect,5) if vertical else (5,5/aspect))
@ -238,7 +280,7 @@ class Colormap(mpl.colors.ListedColormap):
colors+=[i]+c
out = [{
'Creator':f'damask.Colormap v{damask.version}',
'Creator':util.version_date('Colormap'),
'ColorSpace':'RGB',
'Name':colormap.name,
'DefaultMap':True,
@ -254,7 +296,7 @@ class Colormap(mpl.colors.ListedColormap):
def _export_ASCII(colormap,fhandle=None):
"""Write colormap to ASCII table."""
labels = {'RGBA':4} if colormap.colors.shape[1] == 4 else {'RGB': 3}
t = Table(colormap.colors,labels,f'Creator: damask.Colormap v{damask.version}')
t = Table(colormap.colors,labels,f'Creator: {util.version_date("Colormap")}')
if fhandle is None:
with open(colormap.name.replace(' ','_')+'.txt', 'w') as f:

329
python/damask/_geom.py
View File

@ -1,12 +1,14 @@
import sys
from io import StringIO
import copy
import multiprocessing
from io import StringIO
from functools import partial
import numpy as np
from scipy import ndimage,spatial
import damask
from . import environment
from . import Rotation
from . import VTK
from . import util
from . import grid_filters
@ -27,7 +29,7 @@ class Geom:
physical size of the microstructure in meter.
origin : list or numpy.ndarray, optional
physical origin of the microstructure in meter.
homogenization : integer, optional
homogenization : int, optional
homogenization index.
comments : list of str, optional
comments lines.
@ -43,15 +45,24 @@ class Geom:
def __repr__(self):
"""Basic information on geometry definition."""
return util.srepr([
f'grid a b c: {util.srepr(self.get_grid ()," x ")}',
f'size x y z: {util.srepr(self.get_size ()," x ")}',
f'origin x y z: {util.srepr(self.get_origin()," ")}',
f'homogenization: {self.get_homogenization()}',
f'# microstructures: {self.N_microstructure}',
f'max microstructure: {np.nanmax(self.microstructure)}',
f'grid a b c: {util.srepr(self.get_grid ()," x ")}',
f'size x y z: {util.srepr(self.get_size ()," x ")}',
f'origin x y z: {util.srepr(self.get_origin()," ")}',
f'# materialpoints: {self.N_microstructure}',
f'max materialpoint: {np.nanmax(self.microstructure)}',
])
def __copy__(self):
"""Copy geometry."""
return copy.deepcopy(self)
def copy(self):
"""Copy geometry."""
return self.__copy__()
def update(self,microstructure=None,size=None,origin=None,rescale=False):
"""
Update microstructure and size.
@ -100,8 +111,6 @@ class Geom:
message[-1] = util.delete(message[-1])
message.append(util.emph(f'origin x y z: {util.srepr(self.get_origin()," ")}'))
message.append(f'homogenization: {self.get_homogenization()}')
message.append(f'# microstructures: {unique_old}')
if unique_old != self.N_microstructure:
message[-1] = util.delete(message[-1])
@ -146,20 +155,28 @@ class Geom:
"""
Replace the existing microstructure representation.
The complete microstructure is replaced (indcluding grid definition),
unless a masked array is provided in which case the grid dimensions
need to match and masked entries are not replaced.
Parameters
----------
microstructure : numpy.ndarray
microstructure array (3D).
microstructure : numpy.ndarray or numpy.ma.core.MaskedArray of shape (:,:,:)
Microstructure indices.
"""
if microstructure is not None:
if len(microstructure.shape) != 3:
raise ValueError(f'Invalid microstructure shape {microstructure.shape}')
elif microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
raise TypeError(f'Invalid microstructue data type {microstructure.dtype}')
if isinstance(microstructure,np.ma.core.MaskedArray):
self.microstructure = np.where(microstructure.mask,
self.microstructure,microstructure.data)
else:
self.microstructure = np.copy(microstructure)
if len(self.microstructure.shape) != 3:
raise ValueError(f'Invalid microstructure shape {microstructure.shape}')
elif self.microstructure.dtype not in np.sctypes['float'] + np.sctypes['int']:
raise TypeError(f'Invalid microstructure data type {microstructure.dtype}')
def set_size(self,size):
"""
@ -171,10 +188,7 @@ class Geom:
physical size of the microstructure in meter.
"""
if size is None:
grid = np.asarray(self.microstructure.shape)
self.size = grid/np.max(grid)
else:
if size is not None:
if len(size) != 3 or any(np.array(size) <= 0):
raise ValueError(f'Invalid size {size}')
else:
@ -204,7 +218,7 @@ class Geom:
Parameters
----------
homogenization : integer
homogenization : int
homogenization index
"""
@ -255,16 +269,6 @@ class Geom:
return self.comments[:]
def get_header(self):
"""Return the full header (grid, size, origin, homogenization, comments)."""
header = [f'{len(self.comments)+4} header'] + self.comments
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
header.append('size x {} y {} z {}'.format(*self.get_size()))
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
header.append(f'homogenization {self.get_homogenization()}')
return header
@staticmethod
def from_file(fname):
"""
@ -273,7 +277,7 @@ class Geom:
Parameters
----------
fname : str or file handle
geometry file to read.
Geometry file to read.
"""
try:
@ -328,6 +332,26 @@ class Geom:
return Geom(microstructure.reshape(grid,order='F'),size,origin,homogenization,comments)
@staticmethod
def from_vtr(fname):
"""
Read a VTK rectilinear grid.
Parameters
----------
fname : str or or pathlib.Path
Geometry file to read.
Valid extension is .vtr, it will be appended if not given.
"""
v = VTK.from_file(fname if str(fname).endswith('.vtr') else str(fname)+'.vtr')
grid = np.array(v.geom.GetDimensions())-1
bbox = np.array(v.geom.GetBounds()).reshape(3,2).T
size = bbox[1] - bbox[0]
return Geom(v.get('materialpoint').reshape(grid,order='F'),size,bbox[0])
@staticmethod
def _find_closest_seed(seeds, weights, point):
return np.argmin(np.sum((np.broadcast_to(point,(len(seeds),3))-seeds)**2,axis=1) - weights)
@ -339,16 +363,16 @@ class Geom:
Parameters
----------
grid : numpy.ndarray of shape (3)
number of grid points in x,y,z direction.
grid : int numpy.ndarray of shape (3)
Number of grid points in x,y,z direction.
size : list or numpy.ndarray of shape (3)
physical size of the microstructure in meter.
Physical size of the microstructure in meter.
seeds : numpy.ndarray of shape (:,3)
position of the seed points in meter. All points need to lay within the box.
Position of the seed points in meter. All points need to lay within the box.
weights : numpy.ndarray of shape (seeds.shape[0])
weights of the seeds. Setting all weights to 1.0 gives a standard Voronoi tessellation.
Weights of the seeds. Setting all weights to 1.0 gives a standard Voronoi tessellation.
periodic : Boolean, optional
perform a periodic tessellation. Defaults to True.
Perform a periodic tessellation. Defaults to True.
"""
if periodic:
@ -362,7 +386,7 @@ class Geom:
seeds_p = seeds
coords = grid_filters.cell_coord0(grid,size).reshape(-1,3)
pool = multiprocessing.Pool(processes = int(damask.environment.options['DAMASK_NUM_THREADS']))
pool = multiprocessing.Pool(processes = int(environment.options['DAMASK_NUM_THREADS']))
result = pool.map_async(partial(Geom._find_closest_seed,seeds_p,weights_p), [coord for coord in coords])
pool.close()
pool.join()
@ -374,8 +398,8 @@ class Geom:
else:
microstructure = microstructure.reshape(grid)
#ToDo: comments = 'geom.py:from_Laguerre_tessellation v{}'.format(version)
return Geom(microstructure+1,size,homogenization=1)
creator = util.version_date('Geom','from_Laguerre_tessellation')
return Geom(microstructure+1,size,homogenization=1,comments=creator)
@staticmethod
@ -385,22 +409,22 @@ class Geom:
Parameters
----------
grid : numpy.ndarray of shape (3)
number of grid points in x,y,z direction.
grid : int numpy.ndarray of shape (3)
Number of grid points in x,y,z direction.
size : list or numpy.ndarray of shape (3)
physical size of the microstructure in meter.
Physical size of the microstructure in meter.
seeds : numpy.ndarray of shape (:,3)
position of the seed points in meter. All points need to lay within the box.
Position of the seed points in meter. All points need to lay within the box.
periodic : Boolean, optional
perform a periodic tessellation. Defaults to True.
Perform a periodic tessellation. Defaults to True.
"""
coords = grid_filters.cell_coord0(grid,size).reshape(-1,3)
KDTree = spatial.cKDTree(seeds,boxsize=size) if periodic else spatial.cKDTree(seeds)
devNull,microstructure = KDTree.query(coords)
#ToDo: comments = 'geom.py:from_Voronoi_tessellation v{}'.format(version)
return Geom(microstructure.reshape(grid)+1,size,homogenization=1)
creator = util.version_date('Geom','from_Voronoi_tessellation')
return Geom(microstructure.reshape(grid)+1,size,homogenization=1,comments=creator)
def to_file(self,fname,pack=None):
@ -410,13 +434,18 @@ class Geom:
Parameters
----------
fname : str or file handle
geometry file to write.
Geometry file to write.
pack : bool, optional
compress geometry with 'x of y' and 'a to b'.
Compress geometry with 'x of y' and 'a to b'.
"""
header = self.get_header()
grid = self.get_grid()
header = [f'{len(self.comments)+4} header'] + self.comments
header.append('grid a {} b {} c {}'.format(*self.get_grid()))
header.append('size x {} y {} z {}'.format(*self.get_size()))
header.append('origin x {} y {} z {}'.format(*self.get_origin()))
header.append(f'homogenization {self.get_homogenization()}')
grid = self.get_grid()
if pack is None:
plain = grid.prod()/self.N_microstructure < 250
@ -447,7 +476,7 @@ class Geom:
reps += 1
else:
if compressType is None:
f.write('\n'.join(self.get_header())+'\n')
f.write('\n'.join(header)+'\n')
elif compressType == '.':
f.write(f'{former}\n')
elif compressType == 'to':
@ -469,21 +498,22 @@ class Geom:
f.write(f'{reps} of {former}\n')
def to_vtk(self,fname=None):
def to_vtr(self,fname=None):
"""
Generates vtk file.
Generates vtk rectilinear grid.
Parameters
----------
fname : str, optional
vtk file to write. If no file is given, a string is returned.
Filename to write. If no file is given, a string is returned.
Valid extension is .vtr, it will be appended if not given.
"""
v = VTK.from_rectilinearGrid(self.grid,self.size,self.origin)
v.add(self.microstructure.flatten(order='F'),'microstructure')
v.add(self.microstructure.flatten(order='F'),'materialpoint')
if fname:
v.write(fname)
v.write(fname if str(fname).endswith('.vtr') else str(fname)+'.vtr')
else:
sys.stdout.write(v.__repr__())
@ -496,6 +526,59 @@ class Geom:
return ''.join(f.readlines())
def add_primitive(self,dimension,center,exponent,
fill=None,R=Rotation(),inverse=False,periodic=True):
"""
Inserts a primitive geometric object at a given position.
Parameters
----------
dimension : int or float numpy.ndarray of shape(3)
Dimension (diameter/side length) of the primitive. If given as
integers, grid point locations (cell centers) are addressed.
If given as floats, coordinates are addressed.
center : int or float numpy.ndarray of shape(3)
Center of the primitive. If given as integers, grid point
locations (cell centers) are addressed.
If given as floats, coordinates are addressed.
exponent : numpy.ndarray of shape(3) or float
Exponents for the three axis.
0 gives octahedron (|x|^(2^0) + |y|^(2^0) + |z|^(2^0) < 1)
1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1)
fill : int, optional
Fill value for primitive. Defaults to microstructure.max() + 1.
R : damask.Rotation, optional
Rotation of primitive. Defaults to no rotation.
inverse : Boolean, optional
Retain original microstructure within primitive and fill
outside. Defaults to False.
periodic : Boolean, optional
Repeat primitive over boundaries. Defaults to False.
"""
# normalized 'radius' and center
r = np.array(dimension)/self.grid/2.0 if np.array(dimension).dtype in np.sctypes['int'] else \
np.array(dimension)/self.size/2.0
c = (np.array(center) + .5)/self.grid if np.array(center).dtype in np.sctypes['int'] else \
(np.array(center) - self.origin)/self.size
coords = grid_filters.cell_coord0(self.grid,np.ones(3)) \
- (np.ones(3)*0.5 if periodic else c) # center if periodic
coords_rot = R.broadcast_to(tuple(self.grid))@coords
with np.errstate(over='ignore',under='ignore'):
mask = np.where(np.sum(np.abs(coords_rot/r)**(2.0**exponent),axis=-1) < 1,True,False)
if periodic: # translate back to center
mask = np.roll(mask,((c-np.ones(3)*.5)*self.grid).astype(int),(0,1,2))
fill_ = np.full_like(self.microstructure,np.nanmax(self.microstructure)+1 if fill is None else fill)
ms = np.ma.MaskedArray(fill_,np.logical_not(mask) if inverse else mask)
self.add_comments(util.version_date('Geom','add_primitive'))
return self.update(ms)
def mirror(self,directions,reflect=False):
"""
Mirror microstructure along given directions.
@ -503,15 +586,14 @@ class Geom:
Parameters
----------
directions : iterable containing str
direction(s) along which the microstructure is mirrored. Valid entries are 'x', 'y', 'z'.
Direction(s) along which the microstructure is mirrored.
Valid entries are 'x', 'y', 'z'.
reflect : bool, optional
reflect (include) outermost layers.
Reflect (include) outermost layers.
"""
valid = {'x','y','z'}
if not all(isinstance(d, str) for d in directions):
raise TypeError('Directions are not of type str.')
elif not set(directions).issubset(valid):
if not set(directions).issubset(valid):
raise ValueError(f'Invalid direction {set(directions).difference(valid)} specified.')
limits = [None,None] if reflect else [-2,0]
@ -524,52 +606,64 @@ class Geom:
if 'x' in directions:
ms = np.concatenate([ms,ms[limits[0]:limits[1]:-1,:,:]],0)
#ToDo: self.add_comments('geom.py:mirror v{}'.format(version)
self.add_comments(util.version_date('Geom','mirror'))
return self.update(ms,rescale=True)
def scale(self,grid):
def scale(self,grid,periodic=True):
"""
Scale microstructure to new grid.
Parameters
----------
grid : numpy.ndarray of shape (3)
number of grid points in x,y,z direction.
Number of grid points in x,y,z direction.
periodic : Boolean, optional
Assume geometry to be periodic. Defaults to True.
"""
#ToDo: self.add_comments('geom.py:scale v{}'.format(version)
self.add_comments(util.version_date('Geom','scale'))
return self.update(
ndimage.interpolation.zoom(
self.microstructure,
grid/self.get_grid(),
output=self.microstructure.dtype,
order=0,
mode='nearest',
mode=('wrap' if periodic else 'nearest'),
prefilter=False
)
)
def clean(self,stencil=3):
def clean(self,stencil=3,selection=None,periodic=True):
"""
Smooth microstructure by selecting most frequent index within given stencil at each location.
Parameters
----------
stencil : int, optional
size of smoothing stencil.
Size of smoothing stencil.
selection : list, optional
Field values that can be altered. Defaults to all.
periodic : Boolean, optional
Assume geometry to be periodic. Defaults to True.
"""
def mostFrequent(arr):
unique, inverse = np.unique(arr, return_inverse=True)
return unique[np.argmax(np.bincount(inverse))]
def mostFrequent(arr,selection=None):
me = arr[arr.size//2]
if selection is None or me in selection:
unique, inverse = np.unique(arr, return_inverse=True)
return unique[np.argmax(np.bincount(inverse))]
else:
return me
#ToDo: self.add_comments('geom.py:clean v{}'.format(version)
self.add_comments(util.version_date('Geom','clean'))
return self.update(ndimage.filters.generic_filter(
self.microstructure,
mostFrequent,
size=(stencil,)*3
size=(stencil if selection is None else stencil//2*2+1,)*3,
mode=('wrap' if periodic else 'nearest'),
extra_keywords=dict(selection=selection),
).astype(self.microstructure.dtype)
)
@ -580,7 +674,7 @@ class Geom:
for i, oldID in enumerate(np.unique(self.microstructure)):
renumbered = np.where(self.microstructure == oldID, i+1, renumbered)
#ToDo: self.add_comments('geom.py:renumber v{}'.format(version)
self.add_comments(util.version_date('Geom','renumber'))
return self.update(renumbered)
@ -591,9 +685,9 @@ class Geom:
Parameters
----------
R : damask.Rotation
rotation to apply to the microstructure.
Rotation to apply to the microstructure.
fill : int or float, optional
microstructure index to fill the corners. Defaults to microstructure.max() + 1.
Microstructure index to fill the corners. Defaults to microstructure.max() + 1.
"""
if fill is None: fill = np.nanmax(self.microstructure) + 1
@ -615,7 +709,7 @@ class Geom:
origin = self.origin-(np.asarray(microstructure_in.shape)-self.grid)*.5 * self.size/self.grid
#ToDo: self.add_comments('geom.py:rotate v{}'.format(version)
self.add_comments(util.version_date('Geom','rotate'))
return self.update(microstructure_in,origin=origin,rescale=True)
@ -626,11 +720,11 @@ class Geom:
Parameters
----------
grid : numpy.ndarray of shape (3)
number of grid points in x,y,z direction.
Number of grid points in x,y,z direction.
offset : numpy.ndarray of shape (3)
offset (measured in grid points) from old to new microstructue[0,0,0].
Offset (measured in grid points) from old to new microstructure[0,0,0].
fill : int or float, optional
microstructure index to fill the corners. Defaults to microstructure.max() + 1.
Microstructure index to fill the corners. Defaults to microstructure.max() + 1.
"""
if fill is None: fill = np.nanmax(self.microstructure) + 1
@ -638,34 +732,81 @@ class Geom:
dtype = float if int(fill) != fill or self.microstructure.dtype==np.float else int
canvas = np.full(self.grid if grid is None else grid,
fill if fill is not None else np.nanmax(self.microstructure)+1,dtype)
np.nanmax(self.microstructure)+1 if fill is None else fill,
dtype)
l = np.clip( offset, 0,np.minimum(self.grid +offset,grid)) # noqa
r = np.clip( offset+self.grid,0,np.minimum(self.grid*2+offset,grid))
L = np.clip(-offset, 0,np.minimum(grid -offset,self.grid))
R = np.clip(-offset+grid, 0,np.minimum(grid*2 -offset,self.grid))
LL = np.clip( offset, 0,np.minimum(self.grid, grid+offset))
UR = np.clip( offset+grid, 0,np.minimum(self.grid, grid+offset))
ll = np.clip(-offset, 0,np.minimum( grid,self.grid-offset))
ur = np.clip(-offset+self.grid,0,np.minimum( grid,self.grid-offset))
canvas[l[0]:r[0],l[1]:r[1],l[2]:r[2]] = self.microstructure[L[0]:R[0],L[1]:R[1],L[2]:R[2]]
canvas[ll[0]:ur[0],ll[1]:ur[1],ll[2]:ur[2]] = self.microstructure[LL[0]:UR[0],LL[1]:UR[1],LL[2]:UR[2]]
#ToDo: self.add_comments('geom.py:canvas v{}'.format(version)
self.add_comments(util.version_date('Geom','canvas'))
return self.update(canvas,origin=self.origin+offset*self.size/self.grid,rescale=True)
def substitute(self,from_microstructure,to_microstructure):
"""
Substitude microstructure indices.
Substitute microstructure indices.
Parameters
----------
from_microstructure : iterable of ints
microstructure indices to be substituted.
Microstructure indices to be substituted.
to_microstructure : iterable of ints
new microstructure indices.
New microstructure indices.
"""
substituted = self.get_microstructure()
for from_ms,to_ms in zip(from_microstructure,to_microstructure):
substituted[self.microstructure==from_ms] = to_ms
#ToDo: self.add_comments('geom.py:substitute v{}'.format(version)
self.add_comments(util.version_date('Geom','substitute'))
return self.update(substituted)
def vicinity_offset(self,vicinity=1,offset=None,trigger=[],periodic=True):
"""
Offset microstructure index of points in the vicinity of xxx.
Different from themselves (or listed as triggers) within a given (cubic) vicinity,
i.e. within the region close to a grain/phase boundary.
ToDo: use include/exclude as in seeds.from_geom
Parameters
----------
vicinity : int, optional
Voxel distance checked for presence of other microstructure.
Defaults to 1.
offset : int, optional
Offset (positive or negative) to tag microstructure indices,
defaults to microstructure.max() + 1.
trigger : list of ints, optional
List of microstructure indices triggering a change.
Defaults to [], meaning that different neigboors trigger a change.
periodic : Boolean, optional
Assume geometry to be periodic. Defaults to True.
"""
def tainted_neighborhood(stencil,trigger):
me = stencil[stencil.shape[0]//2]
if len(trigger) == 0:
return np.any(stencil != me)
if me in trigger:
trigger = set(trigger)
trigger.remove(me)
trigger = list(trigger)
return np.any(np.in1d(stencil,np.array(trigger)))
offset_ = np.nanmax(self.microstructure) if offset is None else offset
mask = ndimage.filters.generic_filter(self.microstructure,
tainted_neighborhood,
size=1+2*vicinity,
mode=('wrap' if periodic else 'nearest'),
extra_keywords={'trigger':trigger})
microstructure = np.ma.MaskedArray(self.microstructure + offset_, np.logical_not(mask))
self.add_comments(util.version_date('Geom','vicinity_offset'))
return self.update(microstructure)

13
python/damask/_lattice.py
View File

@ -164,16 +164,16 @@ class Symmetry:
with np.errstate(invalid='ignore'):
# using '*'/prod for 'and'
if self.system == 'cubic':
return np.where(np.prod(np.sqrt(2)-1. >= rho_abs,axis=-1) * \
return np.where(np.prod(np.sqrt(2)-1. >= rho_abs,axis=-1) *
(1. >= np.sum(rho_abs,axis=-1)),True,False)
elif self.system == 'hexagonal':
return np.where(np.prod(1. >= rho_abs,axis=-1) * \
(2. >= np.sqrt(3)*rho_abs[...,0] + rho_abs[...,1]) * \
(2. >= np.sqrt(3)*rho_abs[...,1] + rho_abs[...,0]) * \
return np.where(np.prod(1. >= rho_abs,axis=-1) *
(2. >= np.sqrt(3)*rho_abs[...,0] + rho_abs[...,1]) *
(2. >= np.sqrt(3)*rho_abs[...,1] + rho_abs[...,0]) *
(2. >= np.sqrt(3) + rho_abs[...,2]),True,False)
elif self.system == 'tetragonal':
return np.where(np.prod(1. >= rho_abs[...,:2],axis=-1) * \
(np.sqrt(2) >= rho_abs[...,0] + rho_abs[...,1]) * \
return np.where(np.prod(1. >= rho_abs[...,:2],axis=-1) *
(np.sqrt(2) >= rho_abs[...,0] + rho_abs[...,1]) *
(np.sqrt(2) >= rho_abs[...,2] + 1.),True,False)
elif self.system == 'orthorhombic':
return np.where(np.prod(1. >= rho_abs,axis=-1),True,False)
@ -321,6 +321,7 @@ class Lattice: # ToDo: Make a subclass of Symmetry!
"""
lattices = {
'iso': {'system':None},
'triclinic':{'system':None},
'bct': {'system':'tetragonal'},
'hex': {'system':'hexagonal'},

21
python/damask/_result.py
View File

@ -49,7 +49,7 @@ class Result:
self.version_major = f.attrs['DADF5-major']
self.version_minor = f.attrs['DADF5-minor']
if self.version_major != 0 or not 2 <= self.version_minor <= 6:
if self.version_major != 0 or not 2 <= self.version_minor <= 7:
raise TypeError(f'Unsupported DADF5 version {self.version_major}.{self.version_minor}')
self.structured = 'grid' in f['geometry'].attrs.keys()
@ -466,6 +466,11 @@ class Result:
return f[self.get_dataset_location('orientation')[0]].attrs['Lattice'].astype('str') # np.bytes_ to string
def enable_user_function(self,func):
globals()[func.__name__]=func
print(f'Function {func.__name__} enabled in add_calculation.')
def read_dataset(self,path,c=0,plain=False):
"""
Dataset for all points/cells.
@ -504,7 +509,7 @@ class Result:
else:
return dataset
@property
def cell_coordinates(self):
"""Return initial coordinates of the cell centers."""
if self.structured:
@ -513,6 +518,7 @@ class Result:
with h5py.File(self.fname,'r') as f:
return f['geometry/x_c'][()]
@property
def node_coordinates(self):
"""Return initial coordinates of the cell centers."""
if self.structured:
@ -561,7 +567,7 @@ class Result:
'Creator': inspect.stack()[0][3][1:]
}
}
def add_calculation(self,label,formula,unit='n/a',description=None,vectorized=True):
def add_calculation(self,label,formula,unit='n/a',description=None):
"""
Add result of a general formula.
@ -575,13 +581,8 @@ class Result:
Physical unit of the result.
description : str, optional
Human-readable description of the result.
vectorized : bool, optional
Indicate whether the formula can be used in vectorized form. Defaults to ‘True’.
"""
if not vectorized:
raise NotImplementedError
dataset_mapping = {d:d for d in set(re.findall(r'#(.*?)#',formula))} # datasets used in the formula
args = {'formula':formula,'label':label,'unit':unit,'description':description}
self._add_generic_pointwise(self._add_calculation,dataset_mapping,args)
@ -1064,6 +1065,10 @@ class Result:
lock = mp.Manager().Lock()
groups = self.groups_with_datasets(datasets.values())
if len(groups) == 0:
print('No matching dataset found, no data was added.')
return
default_arg = partial(self._job,func=func,datasets=datasets,args=args,lock=lock)
for result in util.show_progress(pool.imap_unordered(default_arg,groups),len(groups)):

10
python/damask/_rotation.py
View File

@ -357,7 +357,7 @@ class Rotation:
accept_homomorph : boolean, optional
Allow homomorphic variants, i.e. q_0 < 0 (negative real hemisphere).
Defaults to False.
P : integer ∈ {-1,1}, optional
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""
@ -422,7 +422,7 @@ class Rotation:
Angle ω is given in degrees. Defaults to False.
normalize: boolean, optional
Allow |n| ≠ 1. Defaults to False.
P : integer ∈ {-1,1}, optional
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""
@ -505,7 +505,7 @@ class Rotation:
(n_1, n_2, n_3, tan(ω/2)), |n| = 1 and ω ∈ [0,π].
normalize : boolean, optional
Allow |n| ≠ 1. Defaults to False.
P : integer ∈ {-1,1}, optional
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""
@ -534,7 +534,7 @@ class Rotation:
----------
h : numpy.ndarray of shape (...,3)
Homochoric vector: (h_1, h_2, h_3), |h| < (3/4*π)^(1/3).
P : integer ∈ {-1,1}, optional
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""
@ -561,7 +561,7 @@ class Rotation:
----------
c : numpy.ndarray of shape (...,3)
Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
P : integer ∈ {-1,1}, optional
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""

7
python/damask/_table.py
View File

@ -3,7 +3,6 @@ import re
import pandas as pd
import numpy as np
from . import version
from . import util
class Table:
@ -49,7 +48,9 @@ class Table:
def _add_comment(self,label,shape,info):
if info is not None:
self.comments.append(f'{label}{" "+str(shape) if np.prod(shape,dtype=int) > 1 else ""}: {info}')
specific = f'{label}{" "+str(shape) if np.prod(shape,dtype=int) > 1 else ""}: {info}'
general = util.version_date('Table')
self.comments.append(f'{specific} / {general}')
@staticmethod
@ -135,7 +136,7 @@ class Table:
content = f.readlines()
comments = [f'table.py:from_ang v{version}']
comments = [util.version_date('Table','from_ang')]
for line in content:
if line.startswith('#'):
comments.append(line.strip())

96
python/damask/_vtk.py
View File

@ -6,8 +6,10 @@ import numpy as np
import vtk
from vtk.util.numpy_support import numpy_to_vtk as np_to_vtk
from vtk.util.numpy_support import numpy_to_vtkIdTypeArray as np_to_vtkIdTypeArray
from vtk.util.numpy_support import vtk_to_numpy as vtk_to_np
import damask
from . import util
from . import environment
from . import Table
@ -190,9 +192,13 @@ class VTK:
writer.SetCompressorTypeToZLib()
writer.SetDataModeToBinary()
writer.SetInputData(self.geom)
if parallel:
mp_writer = mp.Process(target=self._write,args=(writer,))
mp_writer.start()
try:
mp_writer = mp.Process(target=self._write,args=(writer,))
mp_writer.start()
except TypeError:
writer.Write()
else:
writer.Write()
@ -200,7 +206,18 @@ class VTK:
# Check https://blog.kitware.com/ghost-and-blanking-visibility-changes/ for missing data
# Needs support for pd.DataFrame and/or table
def add(self,data,label=None):
"""Add data to either cells or points."""
"""
Add data to either cells or points.
Parameters
----------
data : numpy.ndarray
Data to add. First dimension need to match either
number of cells or number of points
label : str
Data label.
"""
N_points = self.geom.GetNumberOfPoints()
N_cells = self.geom.GetNumberOfCells()
@ -228,10 +245,77 @@ class VTK:
raise TypeError
def get(self,label):
"""
Get either cell or point data.
Cell data takes precedence over point data, i.e. this
function assumes that labels are unique among cell and
point data.
Parameters
----------
label : str
Data label.
"""
celldata = self.geom.GetCellData()
for a in range(celldata.GetNumberOfArrays()):
if celldata.GetArrayName(a) == label:
return vtk_to_np(celldata.GetArray(a))
pointdata = self.geom.GetPointData()
for a in range(celldata.GetNumberOfArrays()):
if pointdata.GetArrayName(a) == label:
return vtk_to_np(pointdata.GetArray(a))
raise ValueError(f'array "{label}" not found')
def get_comments(self):
"""Return the comments."""
fielddata = self.geom.GetFieldData()
for a in range(fielddata.GetNumberOfArrays()):
if fielddata.GetArrayName(a) == 'comments':
comments = fielddata.GetAbstractArray(a)
return [comments.GetValue(i) for i in range(comments.GetNumberOfValues())]
return []
def set_comments(self,comments):
"""
Set Comments.
Parameters
----------
comments : str or list of str
Comments.
"""
s = vtk.vtkStringArray()
s.SetName('comments')
for c in [comments] if isinstance(comments,str) else comments:
s.InsertNextValue(c)
self.geom.GetFieldData().AddArray(s)
def add_comments(self,comments):
"""
Add Comments.
Parameters
----------
comments : str or list of str
Comments to add.
"""
self.set_comments(self.get_comments + ([comments] if isinstance(comments,str) else comments))
def __repr__(self):
"""ASCII representation of the VTK data."""
writer = vtk.vtkDataSetWriter()
writer.SetHeader(f'# damask.VTK v{damask.version}')
writer.SetHeader(f'# {util.version_date("VTK")}')
writer.WriteToOutputStringOn()
writer.SetInputData(self.geom)
writer.Write()
@ -257,7 +341,7 @@ class VTK:
ren.AddActor(actor)
ren.SetBackground(0.2,0.2,0.2)
window.SetSize(damask.environment.screen_size[0],damask.environment.screen_size[1])
window.SetSize(environment.screen_size[0],environment.screen_size[1])
iren = vtk.vtkRenderWindowInteractor()
iren.SetRenderWindow(window)

10
python/damask/solver/_marc.py
View File

@ -3,12 +3,12 @@ import shlex
import string
from pathlib import Path
import damask
from .. import environment
class Marc:
"""Wrapper to run DAMASK with MSCMarc."""
def __init__(self,version=damask.environment.options['MARC_VERSION']):
def __init__(self,version=environment.options['MARC_VERSION']):
"""
Create a Marc solver object.
@ -24,7 +24,7 @@ class Marc:
@property
def library_path(self):
path_MSC = damask.environment.options['MSC_ROOT']
path_MSC = environment.options['MSC_ROOT']
path_lib = Path(f'{path_MSC}/mentat{self.version}/shlib/linux64')
return path_lib if path_lib.is_dir() else None
@ -33,7 +33,7 @@ class Marc:
@property
def tools_path(self):
path_MSC = damask.environment.options['MSC_ROOT']
path_MSC = environment.options['MSC_ROOT']
path_tools = Path(f'{path_MSC}/marc{self.version}/tools')
return path_tools if path_tools.is_dir() else None
@ -49,7 +49,7 @@ class Marc:
):
usersub = damask.environment.root_dir/'src/DAMASK_marc'
usersub = environment.root_dir/'src/DAMASK_marc'
usersub = usersub.parent/(usersub.name + ('.f90' if compile else '.marc'))
if not usersub.is_file():
raise FileNotFoundError("DAMASK4Marc ({}) '{}' not found".format(('source' if compile else 'binary'),usersub))

10
python/damask/util.py
View File

@ -9,6 +9,8 @@ from optparse import Option
import numpy as np
from . import version
# limit visibility
__all__=[
'srepr',
@ -20,6 +22,7 @@ __all__=[
'scale_to_coprime',
'return_message',
'extendableOption',
'version_date'
]
####################################################################################################
@ -175,6 +178,13 @@ def scale_to_coprime(v):
return m
def version_date(class_name,function_name=None):
"""tbd."""
_function_name = '' if function_name is None else f'.{function_name}'
now = datetime.datetime.now().astimezone().strftime('%Y-%m-%d %H:%M:%S%z')
return f'damask.{class_name}{_function_name} v{version} ({now})'
####################################################################################################
# Classes
####################################################################################################

2
python/setup.py
View File

@ -20,6 +20,8 @@ setuptools.setup(
"scipy",
"h5py",
"vtk",
"matplotlib",
"PIL",
],
classifiers = [
"Intended Audience :: Science/Research",

35
python/tests/conftest.py
View File

@ -1,11 +1,38 @@
from pathlib import Path
import numpy as np
import datetime
import numpy as np
import pytest
# Use to monkeypatch damask.version (for comparsion to reference files that contain version information)
def pytest_configure():
pytest.dummy_version = '99.99.99-9999-pytest'
import damask
patched_version = '99.99.99-9999-pytest'
@pytest.fixture
def patch_damask_version(monkeypatch):
"""Set damask.version for reproducible tests results."""
monkeypatch.setattr(damask, 'version', patched_version)
patched_date = datetime.datetime(2019, 11, 2, 11, 58, 0)
@pytest.fixture
def patch_datetime_now(monkeypatch):
"""Set datetime.datetime.now for reproducible tests results."""
class mydatetime:
@classmethod
def now(cls):
return patched_date
monkeypatch.setattr(datetime, 'datetime', mydatetime)
@pytest.fixture
def version_date(monkeypatch):
"""Set damask.util.version_date for reproducible tests results."""
def version_date(class_name,function_name=None):
_function_name = '' if function_name is None else f'.{function_name}'
return f'damask.{class_name}{_function_name} v{patched_version} ({patched_date})'
monkeypatch.setattr(damask.util, 'version_date', version_date)
def pytest_addoption(parser):

2
python/tests/reference/Colormap/binary.json
View File

@ -1,6 +1,6 @@
[
{
"Creator": "damask.Colormap v99.99.99-9999-pytest",
"Creator": "damask.Colormap v99.99.99-9999-pytest (2019-11-02 11:58:00)",
"ColorSpace": "RGB",
"Name": "binary",
"DefaultMap": true,

2
python/tests/reference/Colormap/binary.txt
View File

@ -1,4 +1,4 @@
# Creator: damask.Colormap v99.99.99-9999-pytest
# Creator: damask.Colormap v99.99.99-9999-pytest (2019-11-02 11:58:00)
1_RGBA 2_RGBA 3_RGBA 4_RGBA
1.0 1.0 1.0 1.0
0.996078431372549 0.996078431372549 0.996078431372549 1.0

BIN
python/tests/reference/Colormap/shade_None.png Normal file
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After

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BIN
python/tests/reference/Colormap/shade_[2, 10].png Normal file
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25
python/tests/reference/Geom/clean.vtr Normal file
View File

@ -0,0 +1,25 @@
<?xml version="1.0"?>
<VTKFile type="RectilinearGrid" version="0.1" byte_order="LittleEndian" header_type="UInt32" compressor="vtkZLibDataCompressor">
<RectilinearGrid WholeExtent="0 20 0 18 0 8">
<Piece Extent="0 20 0 18 0 8">
<PointData>
</PointData>
<CellData>
<DataArray type="Int32" Name="materialpoint" format="binary" RangeMin="1" RangeMax="2">
AQAAAACAAAAALQAANQAAAA==eF7t1CECACAMxLBj/380fhYwIyK2spWkmnWgt6b3AF65/avfegAAAAAAAAAAAMy0AfYtC2k=
</DataArray>
</CellData>
<Coordinates>
<DataArray type="Float64" Name="x" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAACoAAAAVQAAAA==eF5jYICAWTNBYKU9hN5pb2IMAoeh/JP2EFUXoOKX7dPTQOAaVP6m/dkzIHAHqu4BVPwhVP1jqPwTqL5nUHUvoOpeQtW9hqp7A1X3Dqrugz0ASSZF3Q==
</DataArray>
<DataArray type="Float64" Name="y" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAACYAAAAVgAAAA==eF5jYIAAmeOFQLTGHkLvsQ8Fg6NQ/hn7IjDjIlT8qr1F32MgugGVv2MPMeUBVN1D+8cQBVD1T+3BymSeQ/W9sF8FBq+g+t/Yg4Ut3kHN+WAPAAVdQE4=
</DataArray>
<DataArray type="Float64" Name="z" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAABIAAAAIgAAAA==eF5jYEAGB+wh9AUofQNKP4DST6D0Cyj9Bkp/sAcAAU8I6Q==
</DataArray>
</Coordinates>
</Piece>
</RectilinearGrid>
</VTKFile>

25
python/tests/reference/Geom/clean_2_1_False.vtr Normal file
View File

@ -0,0 +1,25 @@
<?xml version="1.0"?>
<VTKFile type="RectilinearGrid" version="0.1" byte_order="LittleEndian" header_type="UInt32" compressor="vtkZLibDataCompressor">
<RectilinearGrid WholeExtent="0 20 0 18 0 8">
<Piece Extent="0 20 0 18 0 8">
<PointData>
</PointData>
<CellData>
<DataArray type="Int32" Name="materialpoint" format="binary" RangeMin="1" RangeMax="2">
AQAAAACAAAAALQAANQAAAA==eF7t1CECACAMxLBj/380fhYwIyK2spWkmnWgt6b3AF65/avfegAAAAAAAAAAAMy0AfYtC2k=
</DataArray>
</CellData>
<Coordinates>
<DataArray type="Float64" Name="x" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAACoAAAAVQAAAA==eF5jYICAWTNBYKU9hN5pb2IMAoeh/JP2EFUXoOKX7dPTQOAaVP6m/dkzIHAHqu4BVPwhVP1jqPwTqL5nUHUvoOpeQtW9hqp7A1X3Dqrugz0ASSZF3Q==
</DataArray>
<DataArray type="Float64" Name="y" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAACYAAAAVgAAAA==eF5jYIAAmeOFQLTGHkLvsQ8Fg6NQ/hn7IjDjIlT8qr1F32MgugGVv2MPMeUBVN1D+8cQBVD1T+3BymSeQ/W9sF8FBq+g+t/Yg4Ut3kHN+WAPAAVdQE4=
</DataArray>
<DataArray type="Float64" Name="z" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAABIAAAAIgAAAA==eF5jYEAGB+wh9AUofQNKP4DST6D0Cyj9Bkp/sAcAAU8I6Q==
</DataArray>
</Coordinates>
</Piece>
</RectilinearGrid>
</VTKFile>

25
python/tests/reference/Geom/clean_2_1_True.vtr Normal file
View File

@ -0,0 +1,25 @@
<?xml version="1.0"?>
<VTKFile type="RectilinearGrid" version="0.1" byte_order="LittleEndian" header_type="UInt32" compressor="vtkZLibDataCompressor">
<RectilinearGrid WholeExtent="0 20 0 18 0 8">
<Piece Extent="0 20 0 18 0 8">
<PointData>
</PointData>
<CellData>
<DataArray type="Int32" Name="materialpoint" format="binary" RangeMin="1" RangeMax="2">
AQAAAACAAAAALQAANQAAAA==eF7t1CECACAMxLBj/380fhYwIyK2spWkmnWgt6b3AF65/avfegAAAAAAAAAAAMy0AfYtC2k=
</DataArray>
</CellData>
<Coordinates>
<DataArray type="Float64" Name="x" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAACoAAAAVQAAAA==eF5jYICAWTNBYKU9hN5pb2IMAoeh/JP2EFUXoOKX7dPTQOAaVP6m/dkzIHAHqu4BVPwhVP1jqPwTqL5nUHUvoOpeQtW9hqp7A1X3Dqrugz0ASSZF3Q==
</DataArray>
<DataArray type="Float64" Name="y" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAACYAAAAVgAAAA==eF5jYIAAmeOFQLTGHkLvsQ8Fg6NQ/hn7IjDjIlT8qr1F32MgugGVv2MPMeUBVN1D+8cQBVD1T+3BymSeQ/W9sF8FBq+g+t/Yg4Ut3kHN+WAPAAVdQE4=
</DataArray>
<DataArray type="Float64" Name="z" format="binary" RangeMin="0" RangeMax="1">
AQAAAACAAABIAAAAIgAAAA==eF5jYEAGB+wh9AUofQNKP4DST6D0Cyj9Bkp/sAcAAU8I6Q==
</DataArray>
</Coordinates>
</Piece>
</RectilinearGrid>
</VTKFile>

25
python/tests/reference/Geom/clean_2_2_False.vtr Normal file
View File

@ -0,0 +1,25 @@
<?xml version="1.0"?>
<VTKFile type="RectilinearGrid" version="0.1" byte_order="LittleEndian" header_type="UInt32" compressor="vtkZLibDataCompressor">
<RectilinearGrid WholeExtent="0 20 0 18 0 8">
<Piece Extent="0 20 0 18 0 8">
<PointData>
</PointData>
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25
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1 1 12 32 2 2 11 31 11 2 2 32 12 1
1 1 16 36 2 2 15 35 15 2 2 36 16 1
1 1 20 40 2 2 19 39 19 2 2 40 20 1
1 1 16 36 2 2 15 35 15 2 2 36 16 1
1 1 12 32 2 2 11 31 11 2 2 32 12 1
1 1 8 28 2 2 7 27 7 2 2 28 8 1
1 1 5 25 2 2 4 24 4 2 2 25 5 1
1 1 9 29 2 2 8 28 8 2 2 29 9 1
1 1 13 33 2 2 12 32 12 2 2 33 13 1
1 1 17 37 2 2 16 36 16 2 2 37 17 1
1 1 21 41 2 2 20 40 20 2 2 41 21 1
1 1 17 37 2 2 16 36 16 2 2 37 17 1
1 1 13 33 2 2 12 32 12 2 2 33 13 1
1 1 9 29 2 2 8 28 8 2 2 29 9 1
1 1 4 24 2 2 3 23 3 2 2 24 4 1
1 1 8 28 2 2 7 27 7 2 2 28 8 1
1 1 12 32 2 2 11 31 11 2 2 32 12 1
1 1 16 36 2 2 15 35 15 2 2 36 16 1
1 1 20 40 2 2 19 39 19 2 2 40 20 1
1 1 16 36 2 2 15 35 15 2 2 36 16 1
1 1 12 32 2 2 11 31 11 2 2 32 12 1
1 1 8 28 2 2 7 27 7 2 2 28 8 1
1 1 3 23 2 2 2 22 2 2 2 23 3 1
1 1 7 27 2 2 6 26 6 2 2 27 7 1
1 1 11 31 2 2 10 30 10 2 2 31 11 1
1 1 15 35 2 2 14 34 14 2 2 35 15 1
1 1 19 39 2 2 18 38 18 2 2 39 19 1
1 1 15 35 2 2 14 34 14 2 2 35 15 1
1 1 11 31 2 2 10 30 10 2 2 31 11 1
1 1 7 27 2 2 6 26 6 2 2 27 7 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1
2 3 4 5 6 7 8 9 8 7 6 5 4 3
10 11 12 13 14 15 16 17 16 15 14 13 12 11
18 19 20 21 22 23 24 25 24 23 22 21 20 19
26 27 28 29 30 31 32 33 32 31 30 29 28 27
34 35 36 37 38 39 40 41 40 39 38 37 36 35
26 27 28 29 30 31 32 33 32 31 30 29 28 27
18 19 20 21 22 23 24 25 24 23 22 21 20 19
10 11 12 13 14 15 16 17 16 15 14 13 12 11
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
1 2 3 4 5 6 7 8 7 6 5 4 3 2
9 10 11 12 13 14 15 16 15 14 13 12 11 10
17 18 19 20 21 22 23 24 23 22 21 20 19 18
25 26 27 28 29 30 31 32 31 30 29 28 27 26
33 34 35 36 37 38 39 40 39 38 37 36 35 34
25 26 27 28 29 30 31 32 31 30 29 28 27 26
17 18 19 20 21 22 23 24 23 22 21 20 19 18
9 10 11 12 13 14 15 16 15 14 13 12 11 10
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2 2 2 2 2
2 3 4 5 6 7 8 9 8 7 6 5 4 3
10 11 12 13 14 15 16 17 16 15 14 13 12 11
18 19 20 21 22 23 24 25 24 23 22 21 20 19
26 27 28 29 30 31 32 33 32 31 30 29 28 27
34 35 36 37 38 39 40 41 40 39 38 37 36 35
26 27 28 29 30 31 32 33 32 31 30 29 28 27
18 19 20 21 22 23 24 25 24 23 22 21 20 19
10 11 12 13 14 15 16 17 16 15 14 13 12 11

42
python/tests/reference/Geom/rotate_Eulers=0.0-32.0-240.0.geom
View File

@ -15,8 +15,8 @@ homogenization 1
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 30 14 18 42 42 42
42 42 29 13 17 42 42 42
42 42 25 32 40 42 42 42
42 42 1 1 1 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
@ -25,32 +25,32 @@ homogenization 1
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 31 15 19 42 42 42
42 6 10 2 2 42 42 42
42 1 2 2 2 2 42 42
42 42 2 2 2 42 42 42
42 16 24 31 31 42 42 42
42 1 1 1 1 1 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 32 16 20 42 42 42
42 7 11 2 2 42 42 42
42 7 11 2 2 42 42 42
42 2 2 2 2 2 42 42
42 42 2 2 31 35 42 42
42 42 22 26 10 14 1 42
42 42 24 31 39 42 42 42
42 2 2 2 2 42 42 42
42 2 2 2 2 42 42 42
42 8 15 23 30 38 42 42
42 42 14 22 21 29 42 42
42 42 1 1 1 1 1 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 4 2 2 2 2 42 42
42 42 2 2 32 36 42 42
42 42 24 28 12 16 1 42
42 42 42 7 7 1 1 42
42 42 42 7 7 1 1 42
42 7 14 22 29 37 42 42
42 42 2 2 2 2 42 42
42 42 2 2 2 2 2 42
42 42 42 12 12 19 27 42
42 42 42 12 12 19 27 42
42 42 42 1 1 1 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
@ -58,9 +58,9 @@ homogenization 1
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 25 29 13 17 1 42
42 42 42 8 8 1 1 42
42 42 42 1 1 1 42 42
42 42 4 12 19 27 34 42
42 42 42 2 2 2 2 42
42 42 42 3 11 18 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
@ -69,8 +69,8 @@ homogenization 1
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 1 1 1 42 42
42 42 42 1 1 1 42 42
42 42 42 2 10 17 42 42
42 42 42 2 2 2 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42

88
python/tests/reference/Geom/rotate_Eulers=32.0-68.0-21.0.geom
View File

@ -18,66 +18,66 @@ homogenization 1
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 1 2 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 1 42 42 42 42 42 42
42 42 42 42 1 5 42 42 42 42 42
42 42 42 1 7 4 42 42 42 42 42
42 42 42 42 42 27 42 42 42 42 42
42 42 42 42 42 42 2 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 1 1 42 42 42 42 42 42
42 42 42 1 1 9 29 42 42 42 42
42 42 1 1 11 8 28 2 42 42 42
42 42 42 1 10 31 2 42 42 42 42
42 42 42 42 30 2 2 2 42 42 42
42 42 42 42 42 42 2 1 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 2 42 42 42 42 42 42
42 42 42 42 2 3 42 42 42 42 42
42 42 42 11 12 2 42 42 42 42 42
42 42 42 42 42 13 42 42 42 42 42
42 42 42 42 42 42 6 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 2 10 42 42 42 42 42 42
42 42 42 2 2 11 12 42 42 42 42
42 42 1 19 20 2 2 5 42 42 42
42 42 42 1 1 21 2 42 42 42 42
42 42 42 42 1 1 14 15 42 42 42
42 42 42 42 42 42 1 1 42 42 42
42 42 42 42 42 42 42 1 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 1 42 42 42 42 42 42 42
42 42 42 1 1 42 42 42 42 42 42
42 42 1 16 36 12 32 42 42 42 42
42 42 42 15 35 2 2 2 42 42 42
42 42 42 42 2 2 2 11 3 42 42
42 42 42 42 42 42 10 6 42 42 42
42 42 42 42 42 42 42 6 42 42 42
42 42 42 2 42 42 42 42 42 42 42
42 42 42 2 2 42 42 42 42 42 42
42 42 35 2 2 2 2 42 42 42 42
42 42 42 28 29 2 2 2 42 42 42
42 42 42 42 22 23 2 2 2 42 42
42 42 42 42 42 42 24 16 42 42 42
42 42 42 42 42 42 42 16 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 1 42 42 42 42 42 42 42
42 42 42 1 17 42 42 42 42 42 42
42 42 42 16 36 37 2 42 42 42 42
42 42 42 42 39 2 2 12 42 42 42
42 42 42 38 2 2 2 11 8 42 42
42 42 42 42 2 2 14 30 42 42 42
42 42 42 42 42 42 13 30 42 42 42
42 42 42 34 42 42 42 42 42 42 42
42 42 42 34 27 42 42 42 42 42 42
42 42 42 2 2 28 21 42 42 42 42
42 42 42 42 37 2 22 23 42 42 42
42 42 42 1 30 31 2 2 15 42 42
42 42 42 42 1 1 32 25 42 42 42
42 42 42 42 42 42 1 25 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 40 42 42 42 42 42 42
42 42 42 42 2 42 42 42 42 42 42
42 42 42 42 42 2 42 42 42 42 42
42 42 42 42 42 2 2 15 42 42 42
42 42 42 42 42 2 18 42 42 42 42
42 42 42 42 42 42 17 42 42 42 42
42 42 42 42 42 39 2 2 42 42 42
42 42 42 42 42 1 40 42 42 42 42
42 42 42 42 42 42 1 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
@ -86,7 +86,7 @@ homogenization 1
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 2 20 42 42 42
42 42 42 42 42 42 38 39 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42
42 42 42 42 42 42 42 42 42 42 42

200
python/tests/reference/Geom/scale_grid=10-10-10.geom
View File

@ -3,103 +3,103 @@ grid a 10 b 10 c 10
size x 8e-06 y 5e-06 z 4e-06
origin x 0.0 y 0.0 z 0.0
homogenization 1
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40

220
python/tests/reference/Geom/scale_grid=10-11-10.geom
View File

@ -3,113 +3,113 @@ grid a 10 b 11 c 10
size x 8e-06 y 5e-06 z 4e-06
origin x 0.0 y 0.0 z 0.0
homogenization 1
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40

260
python/tests/reference/Geom/scale_grid=10-13-10.geom
View File

@ -3,133 +3,133 @@ grid a 10 b 13 c 10
size x 8e-06 y 5e-06 z 4e-06
origin x 0.0 y 0.0 z 0.0
homogenization 1
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 3 3 23 2 2 2 2 22
1 1 3 3 23 2 2 2 2 22
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 7 7 27 2 2 2 6 26
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 11 11 31 2 2 2 10 30
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 15 15 35 2 2 2 14 34
1 1 19 19 39 2 2 2 18 38
1 1 19 19 39 2 2 2 18 38
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 4 4 24 2 2 2 3 23
1 1 4 4 24 2 2 2 3 23
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 8 8 28 2 2 2 7 27
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 12 12 32 2 2 2 11 31
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 16 16 36 2 2 2 15 35
1 1 20 20 40 2 2 2 19 39
1 1 20 20 40 2 2 2 19 39
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 3 4 4 5 6 7 7 8 9
2 3 4 4 5 6 7 7 8 9
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
10 11 12 12 13 14 15 15 16 17
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
18 19 20 20 21 22 23 23 24 25
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
26 27 28 28 29 30 31 31 32 33
34 35 36 36 37 38 39 39 40 41
34 35 36 36 37 38 39 39 40 41
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2 2 2
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40

80
python/tests/reference/Geom/scale_grid=10-20-2.geom
View File

@ -3,43 +3,43 @@ grid a 10 b 20 c 2
size x 8e-06 y 5e-06 z 4e-06
origin x 0.0 y 0.0 z 0.0
homogenization 1
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 2 2 22 2 2 2 1 21
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 6 6 26 2 2 2 5 25
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 10 10 30 2 2 2 9 29
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 14 14 34 2 2 2 13 33
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 18 18 38 2 2 2 17 37
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 5 5 25 2 2 2 4 24
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 9 9 29 2 2 2 8 28
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 13 13 33 2 2 2 12 32
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 17 17 37 2 2 2 16 36
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 21 21 41 2 2 2 20 40
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
1 2 3 3 4 5 6 6 7 8
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
9 10 11 11 12 13 14 14 15 16
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
17 18 19 19 20 21 22 22 23 24
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
25 26 27 27 28 29 30 30 31 32
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40
33 34 35 35 36 37 38 38 39 40

160
python/tests/reference/Geom/scale_grid=5-4-20.geom
View File

@ -3,83 +3,83 @@ grid a 5 b 4 c 20
size x 8e-06 y 5e-06 z 4e-06
origin x 0.0 y 0.0 z 0.0
homogenization 1
1 2 2 2 21
1 6 2 2 25
1 14 2 2 33
1 18 2 2 37
1 2 2 2 21
1 6 2 2 25
1 14 2 2 33
1 18 2 2 37
1 2 2 2 21
1 6 2 2 25
1 14 2 2 33
1 18 2 2 37
1 2 2 2 21
1 6 2 2 25
1 14 2 2 33
1 18 2 2 37
1 3 2 2 22
1 7 2 2 26
1 15 2 2 34
1 19 2 2 38
1 3 2 2 22
1 7 2 2 26
1 15 2 2 34
1 19 2 2 38
1 3 2 2 22
1 7 2 2 26
1 15 2 2 34
1 19 2 2 38
1 3 2 2 22
1 7 2 2 26
1 15 2 2 34
1 19 2 2 38
1 3 2 2 22
1 7 2 2 26
1 15 2 2 34
1 19 2 2 38
1 3 2 2 22
1 7 2 2 26
1 15 2 2 34
1 19 2 2 38
1 4 2 2 23
1 8 2 2 27
1 16 2 2 35
1 20 2 2 39
1 4 2 2 23
1 8 2 2 27
1 16 2 2 35
1 20 2 2 39
1 4 2 2 23
1 8 2 2 27
1 16 2 2 35
1 20 2 2 39
1 4 2 2 23
1 8 2 2 27
1 16 2 2 35
1 20 2 2 39
1 4 2 2 23
1 8 2 2 27
1 16 2 2 35
1 20 2 2 39
1 4 2 2 23
1 8 2 2 27
1 16 2 2 35
1 20 2 2 39
1 5 2 2 24
1 9 2 2 28
1 17 2 2 36
1 21 2 2 40
1 5 2 2 24
1 9 2 2 28
1 17 2 2 36
1 21 2 2 40
1 5 2 2 24
1 9 2 2 28
1 17 2 2 36
1 21 2 2 40
1 5 2 2 24
1 9 2 2 28
1 17 2 2 36
1 21 2 2 40
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
1 1 1 1 1
2 4 6 7 9
10 12 14 15 17
26 28 30 31 33
34 36 38 39 41
2 4 6 7 9
10 12 14 15 17
26 28 30 31 33
34 36 38 39 41
2 4 6 7 9
10 12 14 15 17
26 28 30 31 33
34 36 38 39 41
2 4 6 7 9
10 12 14 15 17
26 28 30 31 33
34 36 38 39 41
2 4 6 7 9
10 12 14 15 17
26 28 30 31 33
34 36 38 39 41
2 4 6 7 9
10 12 14 15 17
26 28 30 31 33
34 36 38 39 41
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
2 2 2 2 2
1 3 5 6 8
9 11 13 14 16
25 27 29 30 32
33 35 37 38 40
1 3 5 6 8
9 11 13 14 16
25 27 29 30 32
33 35 37 38 40
1 3 5 6 8
9 11 13 14 16
25 27 29 30 32
33 35 37 38 40
1 3 5 6 8
9 11 13 14 16
25 27 29 30 32
33 35 37 38 40

240
python/tests/reference/Geom/scale_grid=8-10-12.geom
View File

@ -3,123 +3,123 @@ grid a 8 b 10 c 12
size x 8e-06 y 5e-06 z 4e-06
origin x 0.0 y 0.0 z 0.0
homogenization 1
1 1 2 22 2 2 1 21
1 1 2 22 2 2 1 21
1 1 6 26 2 2 5 25
1 1 6 26 2 2 5 25
1 1 10 30 2 2 9 29
1 1 10 30 2 2 9 29
1 1 14 34 2 2 13 33
1 1 14 34 2 2 13 33
1 1 18 38 2 2 17 37
1 1 18 38 2 2 17 37
1 1 2 22 2 2 1 21
1 1 2 22 2 2 1 21
1 1 6 26 2 2 5 25
1 1 6 26 2 2 5 25
1 1 10 30 2 2 9 29
1 1 10 30 2 2 9 29
1 1 14 34 2 2 13 33
1 1 14 34 2 2 13 33
1 1 18 38 2 2 17 37
1 1 18 38 2 2 17 37
1 1 3 23 2 2 2 22
1 1 3 23 2 2 2 22
1 1 7 27 2 2 6 26
1 1 7 27 2 2 6 26
1 1 11 31 2 2 10 30
1 1 11 31 2 2 10 30
1 1 15 35 2 2 14 34
1 1 15 35 2 2 14 34
1 1 19 39 2 2 18 38
1 1 19 39 2 2 18 38
1 1 3 23 2 2 2 22
1 1 3 23 2 2 2 22
1 1 7 27 2 2 6 26
1 1 7 27 2 2 6 26
1 1 11 31 2 2 10 30
1 1 11 31 2 2 10 30
1 1 15 35 2 2 14 34
1 1 15 35 2 2 14 34
1 1 19 39 2 2 18 38
1 1 19 39 2 2 18 38
1 1 3 23 2 2 2 22
1 1 3 23 2 2 2 22
1 1 7 27 2 2 6 26
1 1 7 27 2 2 6 26
1 1 11 31 2 2 10 30
1 1 11 31 2 2 10 30
1 1 15 35 2 2 14 34
1 1 15 35 2 2 14 34
1 1 19 39 2 2 18 38
1 1 19 39 2 2 18 38
1 1 3 23 2 2 2 22
1 1 3 23 2 2 2 22
1 1 7 27 2 2 6 26
1 1 7 27 2 2 6 26
1 1 11 31 2 2 10 30
1 1 11 31 2 2 10 30
1 1 15 35 2 2 14 34
1 1 15 35 2 2 14 34
1 1 19 39 2 2 18 38
1 1 19 39 2 2 18 38
1 1 4 24 2 2 3 23
1 1 4 24 2 2 3 23
1 1 8 28 2 2 7 27
1 1 8 28 2 2 7 27
1 1 12 32 2 2 11 31
1 1 12 32 2 2 11 31
1 1 16 36 2 2 15 35
1 1 16 36 2 2 15 35
1 1 20 40 2 2 19 39
1 1 20 40 2 2 19 39
1 1 4 24 2 2 3 23
1 1 4 24 2 2 3 23
1 1 8 28 2 2 7 27
1 1 8 28 2 2 7 27
1 1 12 32 2 2 11 31
1 1 12 32 2 2 11 31
1 1 16 36 2 2 15 35
1 1 16 36 2 2 15 35
1 1 20 40 2 2 19 39
1 1 20 40 2 2 19 39
1 1 4 24 2 2 3 23
1 1 4 24 2 2 3 23
1 1 8 28 2 2 7 27
1 1 8 28 2 2 7 27
1 1 12 32 2 2 11 31
1 1 12 32 2 2 11 31
1 1 16 36 2 2 15 35
1 1 16 36 2 2 15 35
1 1 20 40 2 2 19 39
1 1 20 40 2 2 19 39
1 1 4 24 2 2 3 23
1 1 4 24 2 2 3 23
1 1 8 28 2 2 7 27
1 1 8 28 2 2 7 27
1 1 12 32 2 2 11 31
1 1 12 32 2 2 11 31
1 1 16 36 2 2 15 35
1 1 16 36 2 2 15 35
1 1 20 40 2 2 19 39
1 1 20 40 2 2 19 39
1 1 5 25 2 2 4 24
1 1 5 25 2 2 4 24
1 1 9 29 2 2 8 28
1 1 9 29 2 2 8 28
1 1 13 33 2 2 12 32
1 1 13 33 2 2 12 32
1 1 17 37 2 2 16 36
1 1 17 37 2 2 16 36
1 1 21 41 2 2 20 40
1 1 21 41 2 2 20 40
1 1 5 25 2 2 4 24
1 1 5 25 2 2 4 24
1 1 9 29 2 2 8 28
1 1 9 29 2 2 8 28
1 1 13 33 2 2 12 32
1 1 13 33 2 2 12 32
1 1 17 37 2 2 16 36
1 1 17 37 2 2 16 36
1 1 21 41 2 2 20 40
1 1 21 41 2 2 20 40
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1
2 3 4 5 6 7 8 9
2 3 4 5 6 7 8 9
10 11 12 13 14 15 16 17
10 11 12 13 14 15 16 17
18 19 20 21 22 23 24 25
18 19 20 21 22 23 24 25
26 27 28 29 30 31 32 33
26 27 28 29 30 31 32 33
34 35 36 37 38 39 40 41
34 35 36 37 38 39 40 41
2 3 4 5 6 7 8 9
2 3 4 5 6 7 8 9
10 11 12 13 14 15 16 17
10 11 12 13 14 15 16 17
18 19 20 21 22 23 24 25
18 19 20 21 22 23 24 25
26 27 28 29 30 31 32 33
26 27 28 29 30 31 32 33
34 35 36 37 38 39 40 41
34 35 36 37 38 39 40 41
2 3 4 5 6 7 8 9
2 3 4 5 6 7 8 9
10 11 12 13 14 15 16 17
10 11 12 13 14 15 16 17
18 19 20 21 22 23 24 25
18 19 20 21 22 23 24 25
26 27 28 29 30 31 32 33
26 27 28 29 30 31 32 33
34 35 36 37 38 39 40 41
34 35 36 37 38 39 40 41
2 3 4 5 6 7 8 9
2 3 4 5 6 7 8 9
10 11 12 13 14 15 16 17
10 11 12 13 14 15 16 17
18 19 20 21 22 23 24 25
18 19 20 21 22 23 24 25
26 27 28 29 30 31 32 33
26 27 28 29 30 31 32 33
34 35 36 37 38 39 40 41
34 35 36 37 38 39 40 41
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
2 2 2 2 2 2 2 2
1 2 3 4 5 6 7 8
1 2 3 4 5 6 7 8
9 10 11 12 13 14 15 16
9 10 11 12 13 14 15 16
17 18 19 20 21 22 23 24
17 18 19 20 21 22 23 24
25 26 27 28 29 30 31 32
25 26 27 28 29 30 31 32
33 34 35 36 37 38 39 40
33 34 35 36 37 38 39 40
1 2 3 4 5 6 7 8
1 2 3 4 5 6 7 8
9 10 11 12 13 14 15 16
9 10 11 12 13 14 15 16
17 18 19 20 21 22 23 24
17 18 19 20 21 22 23 24
25 26 27 28 29 30 31 32
25 26 27 28 29 30 31 32
33 34 35 36 37 38 39 40
33 34 35 36 37 38 39 40

23
python/tests/test_Colormap.py
View File

@ -4,8 +4,9 @@ import time
import numpy as np
import pytest
from PIL import Image
from PIL import ImageChops
import damask
from damask import Colormap
@pytest.fixture
@ -15,8 +16,11 @@ def reference_dir(reference_dir_base):
class TestColormap:
def test_conversion(self):
@pytest.fixture(autouse=True)
def _version_date(self, version_date):
print('patched damask.util.version_date')
def test_conversion(self):
specials = np.array([[0.,0.,0.],
[1.,0.,0.],
[0.,1.,0.],
@ -27,7 +31,6 @@ class TestColormap:
[1.,1.,1.]
])
rgbs = np.vstack((specials,np.random.rand(100,3)))
pass # class not integrated
for rgb in rgbs:
print('rgb',rgb)
@ -129,6 +132,17 @@ class TestColormap:
c += c
assert (np.allclose(c.colors[:len(c.colors)//2],c.colors[len(c.colors)//2:]))
@pytest.mark.parametrize('bounds',[None,[2,10]])
def test_shade(self,reference_dir,update,bounds):
data = np.add(*np.indices((10, 11)))
img_current = Colormap.from_predefined('orientation').shade(data,bounds=bounds)
if update:
img_current.save(reference_dir/f'shade_{bounds}.png')
else:
img_reference = Image.open(reference_dir/f'shade_{bounds}.png')
diff = ImageChops.difference(img_reference.convert('RGB'),img_current.convert('RGB'))
assert not diff.getbbox()
def test_list(self):
Colormap.list_predefined()
@ -137,8 +151,7 @@ class TestColormap:
('GOM','.legend'),
('Gmsh','.msh')
])
def test_compare_reference(self,format,ext,tmpdir,reference_dir,update,monkeypatch):
monkeypatch.setattr(damask, 'version', pytest.dummy_version)
def test_compare_reference(self,format,ext,tmpdir,reference_dir,update):
name = 'binary'
c = Colormap.from_predefined(name)
if update:

156
python/tests/test_Geom.py
View File

@ -1,9 +1,10 @@
import copy
import os
import time
import pytest
import numpy as np
from damask import VTK
from damask import Geom
from damask import Rotation
from damask import util
@ -20,19 +21,19 @@ def default():
x=np.concatenate((np.ones(40,dtype=int),
np.arange(2,42),
np.ones(40,dtype=int)*2,
np.arange(1,41))).reshape(8,5,4)
np.arange(1,41))).reshape(8,5,4,order='F')
return Geom(x,[8e-6,5e-6,4e-6])
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return os.path.join(reference_dir_base,'Geom')
return reference_dir_base/'Geom'
class TestGeom:
def test_update(self,default):
modified = copy.deepcopy(default)
modified = default.copy()
modified.update(
default.get_microstructure(),
default.get_size(),
@ -41,23 +42,56 @@ class TestGeom:
print(modified)
assert geom_equal(modified,default)
@pytest.mark.parametrize('masked',[True,False])
def test_set_microstructure(self,default,masked):
old = default.get_microstructure()
new = np.random.randint(200,size=default.grid)
default.set_microstructure(np.ma.MaskedArray(new,np.full_like(new,masked)))
assert np.all(default.microstructure==(old if masked else new))
def test_write_read_str(self,default,tmpdir):
default.to_file(str(tmpdir.join('default.geom')))
new = Geom.from_file(str(tmpdir.join('default.geom')))
default.to_file(str(tmpdir/'default.geom'))
new = Geom.from_file(str(tmpdir/'default.geom'))
assert geom_equal(new,default)
def test_write_read_file(self,default,tmpdir):
with open(tmpdir.join('default.geom'),'w') as f:
with open(tmpdir/'default.geom','w') as f:
default.to_file(f)
with open(tmpdir.join('default.geom')) as f:
with open(tmpdir/'default.geom') as f:
new = Geom.from_file(f)
assert geom_equal(new,default)
def test_write_show(self,default,tmpdir):
with open(tmpdir/'str.geom','w') as f:
f.write(default.show())
with open(tmpdir/'str.geom') as f:
new = Geom.from_file(f)
assert geom_equal(new,default)
def test_read_write_vtr(self,default,tmpdir):
default.to_vtr(tmpdir/'default')
for _ in range(10):
time.sleep(.2)
if os.path.exists(tmpdir/'default.vtr'): break
new = Geom.from_vtr(tmpdir/'default.vtr')
assert geom_equal(new,default)
def test_invalid_vtr(self,tmpdir):
v = VTK.from_rectilinearGrid(np.random.randint(5,10,3)*2,np.random.random(3) + 1.0)
v.write(tmpdir/'no_materialpoint.vtr')
for _ in range(10):
time.sleep(.2)
if os.path.exists(tmpdir/'no_materialpoint.vtr'): break
with pytest.raises(ValueError):
Geom.from_vtr(tmpdir/'no_materialpoint.vtr')
@pytest.mark.parametrize('pack',[True,False])
def test_pack(self,default,tmpdir,pack):
default.to_file(tmpdir.join('default.geom'),pack=pack)
new = Geom.from_file(tmpdir.join('default.geom'))
default.to_file(tmpdir/'default.geom',pack=pack)
new = Geom.from_file(tmpdir/'default.geom')
assert geom_equal(new,default)
def test_invalid_combination(self,default):
@ -68,9 +102,19 @@ class TestGeom:
with pytest.raises(ValueError):
default.update(default.microstructure[1:,1:,1:],size=np.ones(2))
def test_invalid_microstructure(self,default):
def test_invalid_origin(self,default):
with pytest.raises(ValueError):
default.update(default.microstructure[1])
default.update(default.microstructure[1:,1:,1:],origin=np.ones(4))
def test_invalid_microstructure_size(self,default):
microstructure = np.ones((3,3))
with pytest.raises(ValueError):
default.update(microstructure)
def test_invalid_microstructure_type(self,default):
microstructure = np.random.randint(1,300,(3,4,5))==1
with pytest.raises(TypeError):
default.update(microstructure)
def test_invalid_homogenization(self,default):
with pytest.raises(TypeError):
@ -84,21 +128,31 @@ class TestGeom:
]
)
def test_mirror(self,default,update,reference_dir,directions,reflect):
modified = copy.deepcopy(default)
modified = default.copy()
modified.mirror(directions,reflect)
tag = f'directions={"-".join(directions)}_reflect={reflect}'
reference = os.path.join(reference_dir,f'mirror_{tag}.geom')
reference = reference_dir/f'mirror_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
@pytest.mark.parametrize('directions',[(1,2,'y'),('a','b','x'),[1]])
def test_mirror_invalid(self,default,directions):
with pytest.raises(ValueError):
default.mirror(directions)
@pytest.mark.parametrize('stencil',[1,2,3,4])
def test_clean(self,default,update,reference_dir,stencil):
modified = copy.deepcopy(default)
modified.clean(stencil)
tag = f'stencil={stencil}'
reference = os.path.join(reference_dir,f'clean_{tag}.geom')
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
@pytest.mark.parametrize('selection',[None,1,2])
@pytest.mark.parametrize('periodic',[True,False])
def test_clean(self,update,reference_dir,stencil,selection,periodic):
current = Geom.from_vtr((reference_dir/'clean').with_suffix('.vtr'))
current.clean(stencil,None if selection is None else [selection],periodic)
reference = reference_dir/f'clean_{stencil}_{selection}_{periodic}'
if update and stencil !=1:
current.to_vtr(reference)
for _ in range(10):
time.sleep(.2)
if os.path.exists(reference.with_suffix('.vtr')): break
assert geom_equal(current,Geom.from_vtr(reference if stencil !=1 else reference_dir/'clean'))
@pytest.mark.parametrize('grid',[
(10,11,10),
@ -110,15 +164,15 @@ class TestGeom:
]
)
def test_scale(self,default,update,reference_dir,grid):
modified = copy.deepcopy(default)
modified = default.copy()
modified.scale(grid)
tag = f'grid={util.srepr(grid,"-")}'
reference = os.path.join(reference_dir,f'scale_{tag}.geom')
reference = reference_dir/f'scale_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
def test_renumber(self,default):
modified = copy.deepcopy(default)
modified = default.copy()
microstructure = modified.get_microstructure()
for m in np.unique(microstructure):
microstructure[microstructure==m] = microstructure.max() + np.random.randint(1,30)
@ -128,10 +182,10 @@ class TestGeom:
assert geom_equal(modified,default)
def test_substitute(self,default):
modified = copy.deepcopy(default)
modified = default.copy()
microstructure = modified.get_microstructure()
offset = np.random.randint(1,500)
microstructure+=offset
microstructure += offset
modified.update(microstructure)
assert not geom_equal(modified,default)
modified.substitute(np.arange(default.microstructure.max())+1+offset,
@ -141,7 +195,7 @@ class TestGeom:
@pytest.mark.parametrize('axis_angle',[np.array([1,0,0,86.7]), np.array([0,1,0,90.4]), np.array([0,0,1,90]),
np.array([1,0,0,175]),np.array([0,-1,0,178]),np.array([0,0,1,180])])
def test_rotate360(self,default,axis_angle):
modified = copy.deepcopy(default)
modified = default.copy()
for i in range(np.rint(360/axis_angle[3]).astype(int)):
modified.rotate(Rotation.from_axis_angle(axis_angle,degrees=True))
assert geom_equal(modified,default)
@ -149,20 +203,62 @@ class TestGeom:
@pytest.mark.parametrize('Eulers',[[32.0,68.0,21.0],
[0.0,32.0,240.0]])
def test_rotate(self,default,update,reference_dir,Eulers):
modified = copy.deepcopy(default)
modified = default.copy()
modified.rotate(Rotation.from_Eulers(Eulers,degrees=True))
tag = f'Eulers={util.srepr(Eulers,"-")}'
reference = os.path.join(reference_dir,f'rotate_{tag}.geom')
reference = reference_dir/f'rotate_{tag}.geom'
if update: modified.to_file(reference)
assert geom_equal(modified,Geom.from_file(reference))
def test_canvas(self,default):
grid_add = np.random.randint(0,30,(3))
modified = copy.deepcopy(default)
modified = default.copy()
modified.canvas(modified.grid + grid_add)
e = default.grid
assert np.all(modified.microstructure[:e[0],:e[1],:e[2]] == default.microstructure)
@pytest.mark.parametrize('center1,center2',[(np.random.random(3)*.5,np.random.random(3)),
(np.random.randint(4,8,(3)),np.random.randint(9,12,(3)))])
@pytest.mark.parametrize('diameter',[np.random.random(3)*.5,
np.random.randint(4,10,(3))])
def test_add_primitive(self,diameter,center1,center2):
"""Same volume fraction for periodic microstructures and different center."""
o = np.random.random(3)-.5
g = np.random.randint(8,32,(3))
s = np.random.random(3)+.5
G_1 = Geom(np.ones(g,'i'),s,o)
G_2 = Geom(np.ones(g,'i'),s,o)
G_1.add_primitive(diameter,center1,1)
G_2.add_primitive(diameter,center2,1)
assert np.count_nonzero(G_1.microstructure!=2) == np.count_nonzero(G_2.microstructure!=2)
@pytest.mark.parametrize('trigger',[[1],[]])
def test_vicinity_offset(self,trigger):
offset = np.random.randint(2,4)
vicinity = np.random.randint(2,4)
g = np.random.randint(28,40,(3))
m = np.ones(g,'i')
x = (g*np.random.permutation(np.array([.5,1,1]))).astype('i')
m[slice(0,x[0]),slice(0,x[1]),slice(0,x[2])] = 2
m2 = m.copy()
for i in [0,1,2]:
m2[(np.roll(m,+vicinity,i)-m)!=0] += offset
m2[(np.roll(m,-vicinity,i)-m)!=0] += offset
if len(trigger) > 0:
m2[m==1] = 1
geom = Geom(m,np.random.rand(3))
geom.vicinity_offset(vicinity,offset,trigger=trigger)
assert np.all(m2==geom.microstructure)
@pytest.mark.parametrize('periodic',[True,False])
def test_vicinity_offset_invariant(self,default,periodic):
old = default.get_microstructure()
default.vicinity_offset(trigger=[old.max()+1,old.min()-1])
assert np.all(old==default.microstructure)
@pytest.mark.parametrize('periodic',[True,False])
def test_tessellation_approaches(self,periodic):
grid = np.random.randint(10,20,3)

14
python/tests/test_Orientation.py
View File

@ -4,7 +4,7 @@ from itertools import permutations
import pytest
import numpy as np
import damask
from damask import Table
from damask import Rotation
from damask import Orientation
from damask import Lattice
@ -33,7 +33,7 @@ def inverse_pole(orientation,axis,proper=False,SST=True):
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return os.path.join(reference_dir_base,'Rotation')
return reference_dir_base/'Rotation'
class TestOrientation:
@ -68,7 +68,7 @@ class TestOrientation:
{'label':'blue', 'RGB':[0,0,1],'direction':[1,1,1]}])
@pytest.mark.parametrize('lattice',['fcc','bcc'])
def test_IPF_cubic(self,color,lattice):
cube = damask.Orientation(damask.Rotation(),lattice)
cube = Orientation(Rotation(),lattice)
for direction in set(permutations(np.array(color['direction']))):
assert np.allclose(cube.IPF_color(np.array(direction)),np.array(color['RGB']))
@ -104,15 +104,15 @@ class TestOrientation:
eu = np.array([o.rotation.as_Eulers(degrees=True) for o in ori.related(model)])
if update:
coords = np.array([(1,i+1) for i,x in enumerate(eu)])
table = damask.Table(eu,{'Eulers':(3,)})
table = Table(eu,{'Eulers':(3,)})
table.add('pos',coords)
table.to_ASCII(reference)
assert np.allclose(eu,damask.Table.from_ASCII(reference).get('Eulers'))
assert np.allclose(eu,Table.from_ASCII(reference).get('Eulers'))
@pytest.mark.parametrize('lattice',Lattice.lattices)
def test_disorientation360(self,lattice):
R_1 = Orientation(Rotation(),lattice)
R_2 = Orientation(damask.Rotation.from_Eulers([360,0,0],degrees=True),lattice)
R_2 = Orientation(Rotation.from_Eulers([360,0,0],degrees=True),lattice)
assert np.allclose(R_1.disorientation(R_2).as_matrix(),np.eye(3))
@pytest.mark.parametrize('lattice',Lattice.lattices)
@ -127,6 +127,6 @@ class TestOrientation:
def test_from_average(self,lattice):
R_1 = Orientation(Rotation.from_random(),lattice)
eqs = [r for r in R_1.equivalent]
R_2 = damask.Orientation.from_average(eqs)
R_2 = Orientation.from_average(eqs)
assert np.allclose(R_1.rotation.quaternion,R_2.rotation.quaternion)

44
python/tests/test_Result.py
View File

@ -1,22 +1,25 @@
import time
import shutil
import os
import sys
from datetime import datetime
import pytest
import numpy as np
import h5py
import damask
from damask import Result
from damask import Rotation
from damask import Orientation
from damask import mechanics
from damask import grid_filters
@pytest.fixture
def default(tmp_path,reference_dir):
"""Small Result file in temp location for modification."""
fname = '12grains6x7x8_tensionY.hdf5'
shutil.copy(os.path.join(reference_dir,fname),tmp_path)
f = Result(os.path.join(tmp_path,fname))
shutil.copy(reference_dir/fname,tmp_path)
f = Result(tmp_path/fname)
f.pick('times',20.0)
return f
@ -24,13 +27,13 @@ def default(tmp_path,reference_dir):
def single_phase(tmp_path,reference_dir):
"""Single phase Result file in temp location for modification."""
fname = '6grains6x7x8_single_phase_tensionY.hdf5'
shutil.copy(os.path.join(reference_dir,fname),tmp_path)
return Result(os.path.join(tmp_path,fname))
shutil.copy(reference_dir/fname,tmp_path)
return Result(tmp_path/fname)
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return os.path.join(reference_dir_base,'Result')
return reference_dir_base/'Result'
class TestResult:
@ -98,8 +101,19 @@ class TestResult:
in_file = default.read_dataset(loc['|Fe|'],0)
assert np.allclose(in_memory,in_file)
def test_add_calculation(self,default):
default.add_calculation('x','2.0*np.abs(#F#)-1.0','-','my notes')
@pytest.mark.parametrize('mode',['direct','function'])
def test_add_calculation(self,default,tmp_path,mode):
if mode == 'direct':
default.add_calculation('x','2.0*np.abs(#F#)-1.0','-','my notes')
else:
with open(tmp_path/'f.py','w') as f:
f.write("import numpy as np\ndef my_func(field):\n return 2.0*np.abs(field)-1.0\n")
sys.path.insert(0,str(tmp_path))
import f
default.enable_user_function(f.my_func)
default.add_calculation('x','my_func(#F#)','-','my notes')
loc = {'F': default.get_dataset_location('F'),
'x': default.get_dataset_location('x')}
in_memory = 2.0*np.abs(default.read_dataset(loc['F'],0))-1.0
@ -161,7 +175,7 @@ class TestResult:
crystal_structure = default.get_crystal_structure()
in_memory = np.empty((qu.shape[0],3),np.uint8)
for i,q in enumerate(qu):
o = damask.Orientation(q,crystal_structure).reduced
o = Orientation(q,crystal_structure).reduced
in_memory[i] = np.uint8(o.IPF_color(np.array(d))*255)
in_file = default.read_dataset(loc['color'])
assert np.allclose(in_memory,in_file)
@ -220,7 +234,7 @@ class TestResult:
default.add_pole('orientation',pole,polar)
loc = {'orientation': default.get_dataset_location('orientation'),
'pole': default.get_dataset_location('p^{}_[1 0 0)'.format(u'rφ' if polar else 'xy'))}
rot = damask.Rotation(default.read_dataset(loc['orientation']).view(np.double))
rot = Rotation(default.read_dataset(loc['orientation']).view(np.double))
rotated_pole = rot * np.broadcast_to(pole,rot.shape+(3,))
xy = rotated_pole[:,0:2]/(1.+abs(pole[2]))
in_memory = xy if not polar else \
@ -312,6 +326,16 @@ class TestResult:
with pytest.raises(PermissionError):
default.rename('P','another_new_name')
@pytest.mark.parametrize('mode',['cell','node'])
def test_coordinates(self,default,mode):
if mode == 'cell':
a = grid_filters.cell_coord0(default.grid,default.size,default.origin)
b = default.cell_coordinates.reshape(tuple(default.grid)+(3,),order='F')
elif mode == 'node':
a = grid_filters.node_coord0(default.grid,default.size,default.origin)
b = default.node_coordinates.reshape(tuple(default.grid+1)+(3,),order='F')
assert np.allclose(a,b)
@pytest.mark.parametrize('output',['F',[],['F','P']])
def test_vtk(self,tmp_path,default,output):
os.chdir(tmp_path)

2
python/tests/test_Rotation.py
View File

@ -6,7 +6,7 @@ import numpy as np
from damask import Rotation
from damask import _rotation
n = 1100
n = 1000
atol=1.e-4
@pytest.fixture

27
python/tests/test_Table.py
View File

@ -1,5 +1,3 @@
import os
import pytest
import numpy as np
@ -15,7 +13,7 @@ def default():
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return os.path.join(reference_dir_base,'Table')
return reference_dir_base/'Table'
class TestTable:
@ -35,9 +33,13 @@ class TestTable:
d = default.get('5_F')
assert np.allclose(d,1.0) and d.shape[1:] == (1,)
def test_write_read_str(self,default,tmpdir):
default.to_ASCII(str(tmpdir.join('default.txt')))
new = Table.from_ASCII(str(tmpdir.join('default.txt')))
@pytest.mark.parametrize('mode',['str','path'])
def test_write_read(self,default,tmpdir,mode):
default.to_ASCII(tmpdir/'default.txt')
if mode == 'path':
new = Table.from_ASCII(tmpdir/'default.txt')
elif mode == 'str':
new = Table.from_ASCII(str(tmpdir/'default.txt'))
assert all(default.data==new.data) and default.shapes == new.shapes
def test_write_read_file(self,default,tmpdir):
@ -54,20 +56,25 @@ class TestTable:
new = Table.from_ASCII(f)
assert all(default.data==new.data) and default.shapes == new.shapes
def test_read_ang_str(self,reference_dir):
new = Table.from_ang(os.path.join(reference_dir,'simple.ang'))
@pytest.mark.parametrize('mode',['str','path'])
def test_read_ang(self,reference_dir,mode):
if mode == 'path':
new = Table.from_ang(reference_dir/'simple.ang')
elif mode == 'str':
new = Table.from_ang(str(reference_dir/'simple.ang'))
assert new.data.shape == (4,10) and \
new.labels == ['eu', 'pos', 'IQ', 'CI', 'ID', 'intensity', 'fit']
def test_read_ang_file(self,reference_dir):
f = open(os.path.join(reference_dir,'simple.ang'))
f = open(reference_dir/'simple.ang')
new = Table.from_ang(f)
assert new.data.shape == (4,10) and \
new.labels == ['eu', 'pos', 'IQ', 'CI', 'ID', 'intensity', 'fit']
@pytest.mark.parametrize('fname',['datatype-mix.txt','whitespace-mix.txt'])
def test_read_strange(self,reference_dir,fname):
with open(os.path.join(reference_dir,fname)) as f:
with open(reference_dir/fname) as f:
Table.from_ASCII(f)
def test_set(self,default):

5
src/CPFEM.f90
View File

@ -5,7 +5,6 @@
!--------------------------------------------------------------------------------------------------
module CPFEM
use prec
use debug
use FEsolving
use math
use rotations
@ -19,7 +18,6 @@ module CPFEM
use IO
use discretization
use DAMASK_interface
use numerics
use HDF5_utilities
use results
use lattice
@ -79,8 +77,6 @@ subroutine CPFEM_initAll
call DAMASK_interface_init
call prec_init
call IO_init
call numerics_init
call debug_init
call config_init
call math_init
call rotations_init
@ -95,6 +91,7 @@ subroutine CPFEM_initAll
call crystallite_init
call homogenization_init
call CPFEM_init
call config_deallocate
end subroutine CPFEM_initAll

5
src/CPFEM2.f90
View File

@ -5,8 +5,6 @@
!--------------------------------------------------------------------------------------------------
module CPFEM2
use prec
use numerics
use debug
use config
use FEsolving
use math
@ -47,8 +45,6 @@ subroutine CPFEM_initAll
#ifdef Mesh
call FEM_quadrature_init
#endif
call numerics_init
call debug_init
call config_init
call math_init
call rotations_init
@ -67,6 +63,7 @@ subroutine CPFEM_initAll
call crystallite_init
call homogenization_init
call CPFEM_init
call config_deallocate
end subroutine CPFEM_initAll

3
src/DAMASK_marc.f90
View File

@ -175,10 +175,9 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
jtype,lclass,ifr,ifu)
use prec
use DAMASK_interface
use numerics
use config
use YAML_types
use FEsolving
use debug
use discretization_marc
use homogenization
use CPFEM

53
src/HDF5_utilities.f90
View File

@ -13,7 +13,7 @@ module HDF5_utilities
use prec
use IO
use rotations
use numerics
use config
implicit none
public
@ -246,7 +246,8 @@ end function HDF5_openGroup
subroutine HDF5_closeGroup(group_id)
integer(HID_T), intent(in) :: group_id
integer :: hdferr
integer :: hdferr
call h5gclose_f(group_id, hdferr)
if (hdferr < 0) call IO_error(1,ext_msg = 'HDF5_closeGroup: h5gclose_f (el is ID)', el = int(group_id))
@ -262,8 +263,8 @@ logical function HDF5_objectExists(loc_id,path)
integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in), optional :: path
integer :: hdferr
character(len=pStringLen) :: p
integer :: hdferr
character(len=:), allocatable :: p
if (present(path)) then
p = trim(path)
@ -291,10 +292,10 @@ subroutine HDF5_addAttribute_str(loc_id,attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id, type_id
logical :: attrExists
character(len=pStringLen) :: p
integer(HID_T) :: attr_id, space_id, type_id
logical :: attrExists
integer :: hdferr
character(len=:), allocatable :: p
if (present(path)) then
p = trim(path)
@ -333,15 +334,15 @@ end subroutine HDF5_addAttribute_str
!--------------------------------------------------------------------------------------------------
subroutine HDF5_addAttribute_int(loc_id,attrLabel,attrValue,path)
integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in) :: attrLabel
integer, intent(in) :: attrValue
character(len=*), intent(in), optional :: path
integer(HID_T), intent(in) :: loc_id
character(len=*), intent(in) :: attrLabel
integer, intent(in) :: attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id
logical :: attrExists
character(len=pStringLen) :: p
integer(HID_T) :: attr_id, space_id
integer :: hdferr
logical :: attrExists
character(len=:), allocatable :: p
if (present(path)) then
p = trim(path)
@ -379,10 +380,10 @@ subroutine HDF5_addAttribute_real(loc_id,attrLabel,attrValue,path)
real(pReal), intent(in) :: attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id
logical :: attrExists
character(len=pStringLen) :: p
integer(HID_T) :: attr_id, space_id
integer :: hdferr
logical :: attrExists
character(len=:), allocatable :: p
if (present(path)) then
p = trim(path)
@ -420,11 +421,11 @@ subroutine HDF5_addAttribute_int_array(loc_id,attrLabel,attrValue,path)
integer, intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id
integer(HSIZE_T),dimension(1) :: array_size
integer(HID_T) :: attr_id, space_id
integer :: hdferr
logical :: attrExists
character(len=pStringLen) :: p
character(len=:), allocatable :: p
if (present(path)) then
p = trim(path)
@ -464,11 +465,11 @@ subroutine HDF5_addAttribute_real_array(loc_id,attrLabel,attrValue,path)
real(pReal), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
integer :: hdferr
integer(HID_T) :: attr_id, space_id
integer(HSIZE_T),dimension(1) :: array_size
integer(HID_T) :: attr_id, space_id
integer :: hdferr
logical :: attrExists
character(len=pStringLen) :: p
character(len=:), allocatable :: p
if (present(path)) then
p = trim(path)

20
src/IO.f90
View File

@ -392,9 +392,9 @@ logical function IO_stringAsBool(string)
character(len=*), intent(in) :: string !< string for conversion to int value
if (trim(adjustl(string)) == 'True') then
if (trim(adjustl(string)) == 'True' .or. trim(adjustl(string)) == 'true') then
IO_stringAsBool = .true.
elseif (trim(adjustl(string)) == 'False') then
elseif (trim(adjustl(string)) == 'False' .or. trim(adjustl(string)) == 'false') then
IO_stringAsBool = .false.
else
IO_stringAsBool = .false.
@ -413,9 +413,9 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
integer, optional, intent(in) :: el,ip,g,instance
character(len=*), optional, intent(in) :: ext_msg
external :: quit
character(len=pStringLen) :: msg
character(len=pStringLen) :: formatString
external :: quit
character(len=:), allocatable :: msg
character(len=pStringLen) :: formatString
select case (error_ID)
@ -568,8 +568,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'Incorrect indent/Null value not allowed'
case (702)
msg = 'Invalid use of flow yaml'
case (703)
msg = 'Space expected after a list indicator - '
case (704)
msg = 'Space expected after a colon for <key>: <value> pair'
case (705)
@ -661,8 +659,8 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
integer, optional, intent(in) :: el,ip,g
character(len=*), optional, intent(in) :: ext_msg
character(len=pStringLen) :: msg
character(len=pStringLen) :: formatString
character(len=:), allocatable :: msg
character(len=pStringLen) :: formatString
select case (warning_ID)
case (1)
@ -751,9 +749,9 @@ subroutine selfTest
if(-3112019 /= IO_stringAsInt('-3112019')) call IO_error(0,ext_msg='IO_stringAsInt')
if(3112019 /= IO_stringAsInt('+3112019 ')) call IO_error(0,ext_msg='IO_stringAsInt')
if(.not. IO_stringAsBool(' True')) call IO_error(0,ext_msg='IO_stringAsBool')
if(.not. IO_stringAsBool(' true')) call IO_error(0,ext_msg='IO_stringAsBool')
if(.not. IO_stringAsBool(' True ')) call IO_error(0,ext_msg='IO_stringAsBool')
if( IO_stringAsBool(' False')) call IO_error(0,ext_msg='IO_stringAsBool')
if( IO_stringAsBool(' false')) call IO_error(0,ext_msg='IO_stringAsBool')
if( IO_stringAsBool('False')) call IO_error(0,ext_msg='IO_stringAsBool')
if(any([1,1,1] /= IO_stringPos('a'))) call IO_error(0,ext_msg='IO_stringPos')

50
src/YAML_parse.f90
View File

@ -4,19 +4,18 @@
!> @brief Parser for YAML files
!> @details module converts a YAML input file to an equivalent YAML flow style which is then parsed.
!----------------------------------------------------------------------------------------------------
module YAML_parse
use prec
use IO
use YAML_types
implicit none
private
public :: YAML_init
public :: parse_flow,to_flow
public :: &
YAML_init, &
parse_flow, &
to_flow
contains
@ -34,19 +33,22 @@ end subroutine YAML_init
!> @brief reads the flow style string and stores it in the form of dictionaries, lists and scalars.
!> @details A node type pointer can either point to a dictionary, list or scalar type entities.
!--------------------------------------------------------------------------------------------------
recursive function parse_flow(flow_string) result(node)
recursive function parse_flow(YAML_flow) result(node)
character(len=*), intent(inout) :: flow_string !< YAML file in flow style
character(len=*), intent(in) :: YAML_flow !< YAML file in flow style
class (tNode), pointer :: node
class (tNode), pointer :: myVal
character(len=pStringLen) :: key
integer :: e, & ! end position of dictionary or list
s, & ! start position of dictionary or list
d ! position of key: value separator (':')
flow_string = trim(adjustl(flow_string(:)))
class (tNode), pointer :: &
myVal
character(len=:), allocatable :: &
flow_string, &
key
integer :: &
e, & ! end position of dictionary or list
s, & ! start position of dictionary or list
d ! position of key: value separator (':')
flow_string = trim(adjustl(YAML_flow(:)))
if (len_trim(flow_string) == 0) then
node => emptyDict
return
@ -166,7 +168,12 @@ logical function isListItem(line)
character(len=*), intent(in) :: line
isListItem = index(adjustl(line),'-') == 1
isListItem = .false.
if(len_trim(adjustl(line))> 2 .and. index(trim(adjustl(line)), '-') == 1) then
isListItem = scan(trim(adjustl(line)),' ') == 2
else
isListItem = trim(adjustl(line)) == '-'
endif
end function isListItem
@ -337,7 +344,7 @@ recursive subroutine lst(blck,flow,s_blck,s_flow,offset)
integer, intent(inout) :: s_blck, & !< start position in blck
s_flow, & !< start position in flow
offset !< stores leading '- ' in nested lists
character(len=pStringLen) :: line
character(len=:), allocatable :: line
integer :: e_blck,indent
indent = indentDepth(blck(s_blck:),offset)
@ -373,8 +380,6 @@ recursive subroutine lst(blck,flow,s_blck,s_flow,offset)
offset = 0
endif
else ! list item in the same line
if(line(indentDepth(line)+2:indentDepth(line)+2) /= ' ') &
call IO_error(703,ext_msg=line)
line = line(indentDepth(line)+3:)
if(isScalar(line)) then
call line_toFlow(flow,s_flow,line)
@ -419,7 +424,7 @@ recursive subroutine dct(blck,flow,s_blck,s_flow,offset)
s_flow, & !< start position in flow
offset
character(len=pStringLen) :: line
character(len=:), allocatable :: line
integer :: e_blck,indent
logical :: previous_isKey
@ -490,7 +495,7 @@ recursive subroutine decide(blck,flow,s_blck,s_flow,offset)
s_flow, & !< start position in flow
offset
integer :: e_blck
character(len=pStringLen) :: line
character(len=:), allocatable :: line
if(s_blck <= len(blck)) then
e_blck = s_blck + index(blck(s_blck:),IO_EOL) - 2
@ -564,8 +569,9 @@ subroutine selfTest()
if (.not. isFlow(' [')) call IO_error(0,ext_msg='isFlow')
if ( isListItem(' a')) call IO_error(0,ext_msg='isListItem')
if ( isListItem(' -b')) call IO_error(0,ext_msg='isListItem')
if (.not. isListItem('- a ')) call IO_error(0,ext_msg='isListItem')
if (.not. isListItem(' -b')) call IO_error(0,ext_msg='isListItem')
if (.not. isListItem('- -a ')) call IO_error(0,ext_msg='isListItem')
if ( isKeyValue(' a')) call IO_error(0,ext_msg='isKeyValue')
if ( isKeyValue(' a: ')) call IO_error(0,ext_msg='isKeyValue')

130
src/YAML_types.f90
View File

@ -8,12 +8,10 @@
!--------------------------------------------------------------------------------------------------
module YAML_types
use IO
use prec
implicit none
private
type, abstract, public :: tNode
@ -74,7 +72,7 @@ module YAML_types
getKey => tNode_getKey_byIndex
procedure :: &
contains => tNode_contains
generic :: &
get => tNode_get_byIndex, &
tNode_get_byKey
@ -181,6 +179,7 @@ module YAML_types
public :: &
YAML_types_init, &
output_asStrings, & !ToDo: Hack for GNU. Remove later
assignment(=)
contains
@ -210,9 +209,9 @@ subroutine selfTest
s1 = '1'
if(s1%asInt() /= 1) call IO_error(0,ext_msg='tScalar_asInt')
if(dNeq(s1%asFloat(),1.0_pReal)) call IO_error(0,ext_msg='tScalar_asFloat')
s1 = 'True'
s1 = 'true'
if(.not. s1%asBool()) call IO_error(0,ext_msg='tScalar_asBool')
if(s1%asString() /= 'True') call IO_error(0,ext_msg='tScalar_asString')
if(s1%asString() /= 'true') call IO_error(0,ext_msg='tScalar_asString')
end select
block
@ -259,7 +258,7 @@ subroutine selfTest
allocate(tScalar::s2)
s3 => s1%asScalar()
s4 => s2%asScalar()
s3 = 'True'
s3 = 'true'
s4 = 'False'
call l1%append(s1)
@ -267,9 +266,9 @@ subroutine selfTest
n => l1
if(any(l1%asBools() .neqv. [.true., .false.])) call IO_error(0,ext_msg='tList_asBools')
if(any(l1%asStrings() /= ['True ','False'])) call IO_error(0,ext_msg='tList_asStrings')
if(any(l1%asStrings() /= ['true ','False'])) call IO_error(0,ext_msg='tList_asStrings')
if(n%get_asBool(2)) call IO_error(0,ext_msg='byIndex_asBool')
if(n%get_asString(1) /= 'True') call IO_error(0,ext_msg='byIndex_asString')
if(n%get_asString(1) /= 'true') call IO_error(0,ext_msg='byIndex_asString')
end block
end subroutine selfTest
@ -710,7 +709,6 @@ function tNode_get_byKey_asFloat(self,k,defaultVal) result(nodeAsFloat)
else
call IO_error(143,ext_msg=k)
endif
end function tNode_get_byKey_asFloat
@ -764,7 +762,6 @@ function tNode_get_byKey_asBool(self,k,defaultVal) result(nodeAsBool)
call IO_error(143,ext_msg=k)
endif
end function tNode_get_byKey_asBool
@ -791,25 +788,37 @@ function tNode_get_byKey_asString(self,k,defaultVal) result(nodeAsString)
call IO_error(143,ext_msg=k)
endif
end function tNode_get_byKey_asString
!--------------------------------------------------------------------------------------------------
!> @brief Access by key and convert to float array
!--------------------------------------------------------------------------------------------------
function tNode_get_byKey_asFloats(self,k) result(nodeAsFloats)
function tNode_get_byKey_asFloats(self,k,defaultVal,requiredSize) result(nodeAsFloats)
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
real(pReal), intent(in), dimension(:), optional :: defaultVal
integer, intent(in), optional :: requiredSize
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
real(pReal), dimension(:), allocatable :: nodeAsFloats
class(tNode), pointer :: node
type(tList), pointer :: list
node => self%get(k)
list => node%asList()
nodeAsFloats = list%asFloats()
if(self%contains(k)) then
node => self%get(k)
list => node%asList()
nodeAsFloats = list%asFloats()
elseif(present(defaultVal)) then
nodeAsFloats = defaultVal
else
call IO_error(143,ext_msg=k)
endif
if(present(requiredSize)) then
if(requiredSize /= size(nodeAsFloats)) call IO_error(146,ext_msg=k)
endif
end function tNode_get_byKey_asFloats
@ -817,18 +826,30 @@ end function tNode_get_byKey_asFloats
!--------------------------------------------------------------------------------------------------
!> @brief Access by key and convert to int array
!--------------------------------------------------------------------------------------------------
function tNode_get_byKey_asInts(self,k) result(nodeAsInts)
function tNode_get_byKey_asInts(self,k,defaultVal,requiredSize) result(nodeAsInts)
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
integer, dimension(:), intent(in), optional :: defaultVal
integer, intent(in), optional :: requiredSize
integer, dimension(:), allocatable :: nodeAsInts
class(tNode), pointer :: node
type(tList), pointer :: list
node => self%get(k)
list => node%asList()
nodeAsInts = list%asInts()
if(self%contains(k)) then
node => self%get(k)
list => node%asList()
nodeAsInts = list%asInts()
elseif(present(defaultVal)) then
nodeAsInts = defaultVal
else
call IO_error(143,ext_msg=k)
endif
if(present(requiredSize)) then
if(requiredSize /= size(nodeAsInts)) call IO_error(146,ext_msg=k)
endif
end function tNode_get_byKey_asInts
@ -836,18 +857,25 @@ end function tNode_get_byKey_asInts
!--------------------------------------------------------------------------------------------------
!> @brief Access by key and convert to bool array
!--------------------------------------------------------------------------------------------------
function tNode_get_byKey_asBools(self,k) result(nodeAsBools)
function tNode_get_byKey_asBools(self,k,defaultVal) result(nodeAsBools)
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
logical, dimension(:), allocatable :: nodeAsBools
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
logical, dimension(:), intent(in), optional :: defaultVal
logical, dimension(:), allocatable :: nodeAsBools
class(tNode), pointer :: node
type(tList), pointer :: list
node => self%get(k)
list => node%asList()
nodeAsBools = list%asBools()
if(self%contains(k)) then
node => self%get(k)
list => node%asList()
nodeAsBools = list%asBools()
elseif(present(defaultVal)) then
nodeAsBools = defaultVal
else
call IO_error(143,ext_msg=k)
endif
end function tNode_get_byKey_asBools
@ -855,22 +883,50 @@ end function tNode_get_byKey_asBools
!--------------------------------------------------------------------------------------------------
!> @brief Access by key and convert to string array
!--------------------------------------------------------------------------------------------------
function tNode_get_byKey_asStrings(self,k) result(nodeAsStrings)
function tNode_get_byKey_asStrings(self,k,defaultVal) result(nodeAsStrings)
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
character(len=:), allocatable, dimension(:) :: nodeAsStrings
class(tNode), intent(in), target :: self
character(len=*), intent(in) :: k
character(len=*), intent(in), dimension(:), optional :: defaultVal
character(len=:), allocatable, dimension(:) :: nodeAsStrings
class(tNode), pointer :: node
type(tList), pointer :: list
node => self%get(k)
list => node%asList()
nodeAsStrings = list%asStrings()
if(self%contains(k)) then
node => self%get(k)
list => node%asList()
nodeAsStrings = list%asStrings()
elseif(present(defaultVal)) then
nodeAsStrings = defaultVal
else
call IO_error(143,ext_msg=k)
endif
end function tNode_get_byKey_asStrings
!--------------------------------------------------------------------------------------------------
!> @brief Returns string output array (hack for GNU)
!--------------------------------------------------------------------------------------------------
function output_asStrings(self) result(output) !ToDo: SR: Remove whenever GNU works
class(tNode), pointer,intent(in) :: self
character(len=pStringLen), allocatable, dimension(:) :: output
class(tNode), pointer :: output_list
integer :: o
output_list => self%get('output',defaultVal=emptyList)
allocate(output(output_list%length))
do o = 1, output_list%length
output(o) = output_list%get_asString(o)
enddo
end function output_asStrings
!--------------------------------------------------------------------------------------------------
!> @brief Returns the index of a key in a dictionary
!--------------------------------------------------------------------------------------------------

5
src/commercialFEM_fileList.f90
View File

@ -6,9 +6,6 @@
#include "IO.f90"
#include "YAML_types.f90"
#include "YAML_parse.f90"
#include "numerics.f90"
#include "debug.f90"
#include "list.f90"
#include "future.f90"
#include "config.f90"
#include "LAPACK_interface.f90"
@ -33,7 +30,7 @@
#include "constitutive_plastic_phenopowerlaw.f90"
#include "constitutive_plastic_kinehardening.f90"
#include "constitutive_plastic_dislotwin.f90"
#include "constitutive_plastic_disloUCLA.f90"
#include "constitutive_plastic_disloTungsten.f90"
#include "constitutive_plastic_nonlocal.f90"
#include "constitutive_thermal.f90"
#include "source_thermal_dissipation.f90"

331
src/config.f90
View File

@ -1,35 +1,36 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Reads in the material configuration from file
!> @details Reads the material configuration file, where solverJobName.materialConfig takes
!! precedence over material.config. Stores the raw strings and the positions of delimiters for the
!! parts 'homogenization', 'crystallite', 'phase', 'texture', and 'microstucture'
!> @brief Reads in the material, numerics & debug configuration from their respective file
!> @details Reads the material configuration file, where solverJobName.yaml takes
!! precedence over material.yaml.
!--------------------------------------------------------------------------------------------------
module config
use prec
use DAMASK_interface
use IO
use debug
use list
use YAML_parse
use YAML_types
#ifdef PETSc
#include <petsc/finclude/petscsys.h>
use petscsys
#endif
!$ use OMP_LIB
implicit none
private
type(tPartitionedStringList), public, protected, allocatable, dimension(:) :: &
config_phase, &
config_microstructure, &
config_homogenization, &
config_texture, &
config_crystallite
class(tNode), pointer, public :: &
material_root, &
numerics_root, &
debug_root
integer, protected, public :: &
worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only)
worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only)
integer(4), protected, public :: &
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
character(len=pStringLen), public, protected, allocatable, dimension(:) :: &
config_name_phase, & !< name of each phase
config_name_homogenization, & !< name of each homogenization
config_name_crystallite, & !< name of each crystallite setting
config_name_microstructure, & !< name of each microstructure
config_name_texture !< name of each texture
public :: &
config_init, &
@ -38,227 +39,117 @@ module config
contains
!--------------------------------------------------------------------------------------------------
!> @brief reads material.config and stores its content per part
!> @brief calls subroutines that reads material, numerics and debug configuration files
!--------------------------------------------------------------------------------------------------
subroutine config_init
integer :: i
logical :: verbose
character(len=pStringLen) :: &
line, &
part
character(len=pStringLen), dimension(:), allocatable :: fileContent
class(tNode), pointer :: &
debug_material
logical :: fileExists
write(6,'(/,a)') ' <<<+- config init -+>>>'; flush(6)
debug_material => debug_root%get('material',defaultVal=emptyList)
verbose = debug_material%contains('basic')
inquire(file=trim(getSolverJobName())//'.materialConfig',exist=fileExists)
if(fileExists) then
write(6,'(/,a)') ' reading '//trim(getSolverJobName())//'.materialConfig'; flush(6)
fileContent = read_materialConfig(trim(getSolverJobName())//'.materialConfig')
else
inquire(file='material.config',exist=fileExists)
if(.not. fileExists) call IO_error(100,ext_msg='material.config')
write(6,'(/,a)') ' reading material.config'; flush(6)
fileContent = read_materialConfig('material.config')
endif
do i = 1, size(fileContent)
line = trim(fileContent(i))
part = IO_lc(IO_getTag(line,'<','>'))
select case (trim(part))
case (trim('phase'))
call parse_materialConfig(config_name_phase,config_phase,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Phase parsed'; flush(6)
case (trim('microstructure'))
call parse_materialConfig(config_name_microstructure,config_microstructure,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Microstructure parsed'; flush(6)
case (trim('crystallite'))
call parse_materialConfig(config_name_crystallite,config_crystallite,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Crystallite parsed'; flush(6)
deallocate(config_crystallite)
case (trim('homogenization'))
call parse_materialConfig(config_name_homogenization,config_homogenization,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Homogenization parsed'; flush(6)
case (trim('texture'))
call parse_materialConfig(config_name_texture,config_texture,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Texture parsed'; flush(6)
end select
enddo
if (.not. allocated(config_homogenization) .or. size(config_homogenization) < 1) &
call IO_error(160,ext_msg='<homogenization>')
if (.not. allocated(config_microstructure) .or. size(config_microstructure) < 1) &
call IO_error(160,ext_msg='<microstructure>')
if (.not. allocated(config_phase) .or. size(config_phase) < 1) &
call IO_error(160,ext_msg='<phase>')
if (.not. allocated(config_texture) .or. size(config_texture) < 1) &
call IO_error(160,ext_msg='<texture>')
contains
!--------------------------------------------------------------------------------------------------
!> @brief reads material.config
!! Recursion is triggered by "{path/to/inputfile}" in a line
!--------------------------------------------------------------------------------------------------
recursive function read_materialConfig(fileName,cnt) result(fileContent)
character(len=*), intent(in) :: fileName !< name of the material configuration file
integer, intent(in), optional :: cnt !< recursion counter
character(len=pStringLen), dimension(:), allocatable :: fileContent !< file content, separated per lines
character(len=pStringLen), dimension(:), allocatable :: includedContent
character(len=pStringLen) :: line
character(len=pStringLen), parameter :: dummy = 'https://damask.mpie.de' !< to fill up remaining array
character(len=:), allocatable :: rawData
integer :: &
startPos, endPos, &
myTotalLines, & !< # lines read from file without include statements
l,i
logical :: warned
if (present(cnt)) then
if (cnt>10) call IO_error(106,ext_msg=trim(fileName))
endif
rawData = IO_read(fileName) ! read data as stream
!--------------------------------------------------------------------------------------------------
! count lines to allocate string array
myTotalLines = 1
do l=1, len(rawData)
if (rawData(l:l) == IO_EOL) myTotalLines = myTotalLines+1
enddo
allocate(fileContent(myTotalLines))
!--------------------------------------------------------------------------------------------------
! split raw data at end of line and handle includes
warned = .false.
startPos = 1
l = 1
do while (l <= myTotalLines)
endPos = merge(startPos + scan(rawData(startPos:),IO_EOL) - 2,len(rawData),l /= myTotalLines)
if (endPos - startPos > pStringLen -1) then
line = rawData(startPos:startPos+pStringLen-1)
if (.not. warned) then
call IO_warning(207,ext_msg=trim(fileName),el=l)
warned = .true.
endif
else
line = rawData(startPos:endpos)
endif
startPos = endPos + 2 ! jump to next line start
recursion: if (scan(trim(adjustl(line)),'{') == 1 .and. scan(trim(line),'}') > 2) then
includedContent = read_materialConfig(trim(line(scan(line,'{')+1:scan(line,'}')-1)), &
merge(cnt,1,present(cnt))) ! to track recursion depth
fileContent = [ fileContent(1:l-1), includedContent, [(dummy,i=1,myTotalLines-l)] ] ! add content and grow array
myTotalLines = myTotalLines - 1 + size(includedContent)
l = l - 1 + size(includedContent)
else recursion
fileContent(l) = line
l = l + 1
endif recursion
enddo
end function read_materialConfig
!--------------------------------------------------------------------------------------------------
!> @brief parses the material.config file
!--------------------------------------------------------------------------------------------------
subroutine parse_materialConfig(sectionNames,part,line, &
fileContent)
character(len=pStringLen), allocatable, dimension(:), intent(out) :: sectionNames
type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
character(len=pStringLen), intent(inout) :: line
character(len=pStringLen), dimension(:), intent(in) :: fileContent
integer, allocatable, dimension(:) :: partPosition !< position of [] tags + last line in section
integer :: i, j
logical :: echo
character(len=pStringLen) :: sectionName
echo = .false.
if (allocated(part)) call IO_error(161,ext_msg=trim(line))
allocate(partPosition(0))
do i = 1, size(fileContent)
line = trim(fileContent(i))
if (IO_getTag(line,'<','>') /= '') exit
nextSection: if (IO_getTag(line,'[',']') /= '') then
partPosition = [partPosition, i]
cycle
endif nextSection
if (size(partPosition) < 1) &
echo = (trim(IO_getTag(line,'/','/')) == 'echo') .or. echo
enddo
allocate(sectionNames(size(partPosition)))
allocate(part(size(partPosition)))
partPosition = [partPosition, i] ! needed when actually storing content
do i = 1, size(partPosition) -1
write(sectionName,'(i0,a,a)') i,'_',trim(IO_getTag(fileContent(partPosition(i)),'[',']'))
sectionNames(i) = sectionName
do j = partPosition(i) + 1, partPosition(i+1) -1
call part(i)%add(trim(adjustl(fileContent(j))))
enddo
if (echo) then
write(6,*) 'section',i, '"'//trim(sectionNames(i))//'"'
call part(i)%show()
endif
enddo
end subroutine parse_materialConfig
call parse_material
call parse_numerics
call parse_debug
end subroutine config_init
!--------------------------------------------------------------------------------------------------
!> @brief deallocates the linked lists that store the content of the configuration files
!> @brief reads material.yaml
!--------------------------------------------------------------------------------------------------
subroutine config_deallocate(what)
subroutine parse_material
character(len=*), intent(in) :: what
logical :: fileExists
character(len=:), allocatable :: fname,flow
select case(trim(what))
fname = getSolverJobName()//'.yaml'
inquire(file=fname,exist=fileExists)
if(.not. fileExists) then
fname = 'material.yaml'
inquire(file=fname,exist=fileExists)
if(.not. fileExists) call IO_error(100,ext_msg=fname)
endif
case('material.config/phase')
deallocate(config_phase)
write(6,'(/,a)') ' reading '//fname; flush(6)
flow = to_flow(IO_read(fname))
material_root => parse_flow(flow)
case('material.config/microstructure')
deallocate(config_microstructure)
end subroutine parse_material
case('material.config/homogenization')
deallocate(config_homogenization)
case('material.config/texture')
deallocate(config_texture)
case default
call IO_error(0,ext_msg='config_deallocate')
!--------------------------------------------------------------------------------------------------
!> @brief reads in parameters from numerics.yaml and sets openMP related parameters. Also does
! a sanity check
!--------------------------------------------------------------------------------------------------
subroutine parse_numerics
end select
!$ integer :: gotDAMASK_NUM_THREADS = 1
integer :: ierr
character(len=:), allocatable :: &
numerics_inFlow
logical :: fexist
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
#ifdef PETSc
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
#endif
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS...
!$ if(gotDAMASK_NUM_THREADS /= 0) then ! could not get number of threads, set it to 1
!$ call IO_warning(35,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
!$ DAMASK_NumThreadsInt = 1_4
!$ else
!$ read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt ! read as integer
!$ if (DAMASK_NumThreadsInt < 1_4) DAMASK_NumThreadsInt = 1_4 ! in case of string conversion fails, set it to one
!$ endif
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution
numerics_root => emptyDict
inquire(file='numerics.yaml', exist=fexist)
if (fexist) then
write(6,'(a,/)') ' using values from config.yaml file'
flush(6)
numerics_inFlow = to_flow(IO_read('numerics.yaml'))
numerics_root => parse_flow(numerics_inFlow)
endif
!--------------------------------------------------------------------------------------------------
! openMP parameter
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
end subroutine parse_numerics
!--------------------------------------------------------------------------------------------------
!> @brief reads in parameters from debug.yaml
!--------------------------------------------------------------------------------------------------
subroutine parse_debug
character(len=:), allocatable :: debug_inFlow
logical :: fexist
#ifdef DEBUG
write(6,'(a)') achar(27)//'[31m <<<+- DEBUG version -+>>>'//achar(27)//'[0m'
#endif
debug_root => emptyDict
inquire(file='debug.yaml', exist=fexist)
fileExists: if (fexist) then
debug_inFlow = to_flow(IO_read('debug.yaml'))
debug_root => parse_flow(debug_inFlow)
endif fileExists
end subroutine parse_debug
!--------------------------------------------------------------------------------------------------
!> @brief deallocates material.yaml structure
!--------------------------------------------------------------------------------------------------
subroutine config_deallocate
deallocate(material_root) !ToDo: deallocation of numerics and debug (slightly different for optional files)
end subroutine config_deallocate
end module config

238
src/constitutive.f90
View File

@ -7,8 +7,6 @@ module constitutive
use prec
use math
use rotations
use debug
use numerics
use IO
use config
use material
@ -21,6 +19,33 @@ module constitutive
implicit none
private
integer(kind(ELASTICITY_undefined_ID)), dimension(:), allocatable, protected :: &
phase_elasticity !< elasticity of each phase
integer(kind(PLASTICITY_undefined_ID)), dimension(:), allocatable :: & !ToDo: old intel compiler complains about protected
phase_plasticity !< plasticity of each phase
integer(kind(SOURCE_undefined_ID)), dimension(:,:), allocatable :: & ! ToDo: old intel compiler complains about protected
phase_source, & !< active sources mechanisms of each phase
phase_kinematics, & !< active kinematic mechanisms of each phase
phase_stiffnessDegradation !< active stiffness degradation mechanisms of each phase
integer, dimension(:), allocatable, public :: & ! ToDo: old intel compiler complains about protected
phase_Nsources, & !< number of source mechanisms active in each phase
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
phase_plasticityInstance, & !< instance of particular plasticity of each phase
phase_elasticityInstance !< instance of particular elasticity of each phase
logical, dimension(:), allocatable, public :: & ! ToDo: old intel compiler complains about protected
phase_localPlasticity !< flags phases with local constitutive law
type(tPlasticState), allocatable, dimension(:), public :: &
plasticState
type(tSourceState), allocatable, dimension(:), public :: &
sourceState
integer, public, protected :: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
@ -37,6 +62,23 @@ module constitutive
end subroutine thermal_init
module function plastic_active(plastic_label) result(active_plastic)
character(len=*), intent(in) :: plastic_label
logical, dimension(:), allocatable :: active_plastic
end function plastic_active
module function source_active(source_label,src_length) result(active_source)
character(len=*), intent(in) :: source_label
integer, intent(in) :: src_length
logical, dimension(:,:), allocatable :: active_source
end function source_active
module function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: active_kinematics
end function kinematics_active
module subroutine plastic_isotropic_dotState(Mp,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -71,7 +113,7 @@ module constitutive
of
end subroutine plastic_dislotwin_dotState
module subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
module subroutine plastic_disloTungsten_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
@ -79,7 +121,7 @@ module constitutive
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloUCLA_dotState
end subroutine plastic_disloTungsten_dotState
module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
instance,of,ip,el)
@ -286,7 +328,6 @@ module constitutive
end subroutine constitutive_plastic_LpAndItsTangents
end interface constitutive_LpAndItsTangents
interface constitutive_dependentState
@ -326,11 +367,14 @@ module constitutive
constitutive_SandItsTangents, &
constitutive_collectDotState, &
constitutive_deltaState, &
plastic_nonlocal_updateCompatibility, &
constitutive_damage_getRateAndItsTangents, &
constitutive_thermal_getRateAndItsTangents, &
constitutive_results
constitutive_results, &
constitutive_allocateState, &
plastic_nonlocal_updateCompatibility, &
plastic_active, &
source_active, &
kinematics_active
contains
@ -340,10 +384,15 @@ contains
subroutine constitutive_init
integer :: &
ph, & !< counter in phase loop
s !< counter in source loop
p, & !< counter in phase loop
s, & !< counter in source loop
stiffDegradationCtr
class (tNode), pointer :: &
debug_constitutive
debug_constitutive, &
phases, &
phase, &
elastic, &
stiffDegradation
debug_constitutive => debug_root%get('constitutive', defaultVal=emptyList)
debugConstitutive%basic = debug_constitutive%contains('basic')
@ -353,7 +402,46 @@ subroutine constitutive_init
debugConstitutive%ip = debug_root%get_asInt('integrationpoint',defaultVal = 1)
debugConstitutive%grain = debug_root%get_asInt('grain',defaultVal = 1)
!-------------------------------------------------------------------------------------------------
! initialize elasticity (hooke) !ToDO: Maybe move to elastic submodule along with function homogenizedC?
phases => material_root%get('phase')
allocate(phase_elasticity(phases%length), source = ELASTICITY_undefined_ID)
allocate(phase_elasticityInstance(phases%length), source = 0)
allocate(phase_NstiffnessDegradations(phases%length),source=0)
do p = 1, phases%length
phase => phases%get(p)
elastic => phase%get('elasticity')
if(elastic%get_asString('type') == 'hooke') then
phase_elasticity(p) = ELASTICITY_HOOKE_ID
else
call IO_error(200,ext_msg=elastic%get_asString('type'))
endif
stiffDegradation => phase%get('stiffness_degradation',defaultVal=emptyList) ! check for stiffness degradation mechanisms
phase_NstiffnessDegradations(p) = stiffDegradation%length
enddo
allocate(phase_stiffnessDegradation(maxval(phase_NstiffnessDegradations),phases%length), &
source=STIFFNESS_DEGRADATION_undefined_ID)
if(maxVal(phase_NstiffnessDegradations)/=0) then
do p = 1, phases%length
phase => phases%get(p)
stiffDegradation => phase%get('stiffness_degradation',defaultVal=emptyList)
do stiffDegradationCtr = 1, stiffDegradation%length
if(stiffDegradation%get_asString(stiffDegradationCtr) == 'damage') &
phase_stiffnessDegradation(stiffDegradationCtr,p) = STIFFNESS_DEGRADATION_damage_ID
enddo
enddo
endif
do p = 1, phases%length
phase_elasticityInstance(p) = count(phase_elasticity(1:p) == phase_elasticity(p))
enddo
!--------------------------------------------------------------------------------------------------
! initialize constitutive laws
call plastic_init
call damage_init
call thermal_init
@ -361,23 +449,87 @@ subroutine constitutive_init
write(6,'(/,a)') ' <<<+- constitutive init -+>>>'; flush(6)
constitutive_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,material_Nphase
PhaseLoop2:do p = 1,phases%length
!--------------------------------------------------------------------------------------------------
! partition and initialize state
plasticState(ph)%partionedState0 = plasticState(ph)%state0
plasticState(ph)%state = plasticState(ph)%partionedState0
forall(s = 1:phase_Nsources(ph))
sourceState(ph)%p(s)%partionedState0 = sourceState(ph)%p(s)%state0
sourceState(ph)%p(s)%state = sourceState(ph)%p(s)%partionedState0
plasticState(p)%partionedState0 = plasticState(p)%state0
plasticState(p)%state = plasticState(p)%partionedState0
forall(s = 1:phase_Nsources(p))
sourceState(p)%p(s)%partionedState0 = sourceState(p)%p(s)%state0
sourceState(p)%p(s)%state = sourceState(p)%p(s)%partionedState0
end forall
constitutive_source_maxSizeDotState = max(constitutive_source_maxSizeDotState, &
maxval(sourceState(ph)%p%sizeDotState))
maxval(sourceState(p)%p%sizeDotState))
enddo PhaseLoop2
constitutive_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
end subroutine constitutive_init
!--------------------------------------------------------------------------------------------------
!> @brief checks if a source mechanism is active or not
!--------------------------------------------------------------------------------------------------
module function source_active(source_label,src_length) result(active_source)
character(len=*), intent(in) :: source_label !< name of source mechanism
integer, intent(in) :: src_length !< max. number of sources in system
logical, dimension(:,:), allocatable :: active_source
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: p,s
phases => material_root%get('phase')
allocate(active_source(src_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
sources => phase%get('source',defaultVal=emptyList)
do s = 1, sources%length
src => sources%get(s)
if(src%get_asString('type') == source_label) active_source(s,p) = .true.
enddo
enddo
end function source_active
!--------------------------------------------------------------------------------------------------
!> @brief checks if a kinematic mechanism is active or not
!--------------------------------------------------------------------------------------------------
module function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
integer, intent(in) :: kinematics_length !< max. number of kinematics in system
logical, dimension(:,:), allocatable :: active_kinematics
class(tNode), pointer :: &
phases, &
phase, &
kinematics, &
kinematics_type
integer :: p,k
phases => material_root%get('phase')
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
kinematics => phase%get('kinematics',defaultVal=emptyList)
do k = 1, kinematics%length
kinematics_type => kinematics%get(k)
if(kinematics_type%get_asString('type') == kinematics_label) active_kinematics(k,p) = .true.
enddo
enddo
end function kinematics_active
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenize elasticity matrix
!> ToDo: homogenizedC66 would be more consistent
@ -626,7 +778,7 @@ function constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el
plasticityType: select case (phase_plasticity(phase))
case (PLASTICITY_ISOTROPIC_ID) plasticityType
call plastic_isotropic_dotState (Mp,instance,of)
call plastic_isotropic_dotState(Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_dotState(Mp,instance,of)
@ -635,13 +787,13 @@ function constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el
call plastic_kinehardening_dotState(Mp,instance,of)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_dotState (Mp,temperature(ho)%p(tme),instance,of)
call plastic_dislotwin_dotState(Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloucla_dotState (Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call plastic_disloTungsten_dotState(Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dotState (Mp,FArray,FpArray,temperature(ho)%p(tme),subdt, &
call plastic_nonlocal_dotState(Mp,FArray,FpArray,temperature(ho)%p(tme),subdt, &
instance,of,ip,el)
end select plasticityType
broken = any(IEEE_is_NaN(plasticState(phase)%dotState(:,of)))
@ -651,13 +803,13 @@ function constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el
sourceType: select case (phase_source(i,phase))
case (SOURCE_damage_anisoBrittle_ID) sourceType
call source_damage_anisoBrittle_dotState (S, ipc, ip, el) ! correct stress?
call source_damage_anisoBrittle_dotState(S, ipc, ip, el) ! correct stress?
case (SOURCE_damage_isoDuctile_ID) sourceType
call source_damage_isoDuctile_dotState ( ipc, ip, el)
call source_damage_isoDuctile_dotState(ipc, ip, el)
case (SOURCE_damage_anisoDuctile_ID) sourceType
call source_damage_anisoDuctile_dotState ( ipc, ip, el)
call source_damage_anisoDuctile_dotState(ipc, ip, el)
case (SOURCE_thermal_externalheat_ID) sourceType
call source_thermal_externalheat_dotState(phase,of)
@ -749,6 +901,39 @@ function constitutive_deltaState(S, Fe, Fi, ipc, ip, el, phase, of) result(broke
end function constitutive_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief Allocate the components of the state structure for a given phase
!--------------------------------------------------------------------------------------------------
subroutine constitutive_allocateState(state, &
NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
class(tState), intent(out) :: &
state
integer, intent(in) :: &
NipcMyPhase, &
sizeState, &
sizeDotState, &
sizeDeltaState
state%sizeState = sizeState
state%sizeDotState = sizeDotState
state%sizeDeltaState = sizeDeltaState
state%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
allocate(state%atol (sizeState), source=0.0_pReal)
allocate(state%state0 (sizeState,NipcMyPhase), source=0.0_pReal)
allocate(state%partionedState0(sizeState,NipcMyPhase), source=0.0_pReal)
allocate(state%subState0 (sizeState,NipcMyPhase), source=0.0_pReal)
allocate(state%state (sizeState,NipcMyPhase), source=0.0_pReal)
allocate(state%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
allocate(state%deltaState(sizeDeltaState,NipcMyPhase), source=0.0_pReal)
end subroutine constitutive_allocateState
!--------------------------------------------------------------------------------------------------
!> @brief writes constitutive results to HDF5 output file
!--------------------------------------------------------------------------------------------------
@ -759,4 +944,5 @@ subroutine constitutive_results
end subroutine constitutive_results
end module constitutive

90
src/constitutive_damage.f90
View File

@ -5,23 +5,35 @@ submodule(constitutive) constitutive_damage
interface
module subroutine source_damage_anisoBrittle_init
end subroutine source_damage_anisoBrittle_init
module function source_damage_anisoBrittle_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
end function source_damage_anisoBrittle_init
module subroutine source_damage_anisoDuctile_init
end subroutine source_damage_anisoDuctile_init
module function source_damage_anisoDuctile_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
end function source_damage_anisoDuctile_init
module subroutine source_damage_isoBrittle_init
end subroutine source_damage_isoBrittle_init
module function source_damage_isoBrittle_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
end function source_damage_isoBrittle_init
module subroutine source_damage_isoDuctile_init
end subroutine source_damage_isoDuctile_init
module function source_damage_isoDuctile_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
end function source_damage_isoDuctile_init
module subroutine kinematics_cleavage_opening_init
end subroutine kinematics_cleavage_opening_init
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_cleavage_opening_init
module subroutine kinematics_slipplane_opening_init
end subroutine kinematics_slipplane_opening_init
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_slipplane_opening_init
module subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
@ -97,16 +109,51 @@ contains
!----------------------------------------------------------------------------------------------
module subroutine damage_init
integer :: &
ph !< counter in phase loop
class(tNode), pointer :: &
phases, &
phase, &
sources, &
kinematics
phases => material_root%get('phase')
allocate(sourceState (phases%length))
allocate(phase_Nsources(phases%length),source = 0) ! same for kinematics
do ph = 1,phases%length
phase => phases%get(ph)
sources => phase%get('source',defaultVal=emptyList)
phase_Nsources(ph) = sources%length
allocate(sourceState(ph)%p(phase_Nsources(ph)))
enddo
allocate(phase_source(maxval(phase_Nsources),phases%length), source = SOURCE_undefined_ID)
! initialize source mechanisms
if (any(phase_source == SOURCE_damage_isoBrittle_ID)) call source_damage_isoBrittle_init
if (any(phase_source == SOURCE_damage_isoDuctile_ID)) call source_damage_isoDuctile_init
if (any(phase_source == SOURCE_damage_anisoBrittle_ID)) call source_damage_anisoBrittle_init
if (any(phase_source == SOURCE_damage_anisoDuctile_ID)) call source_damage_anisoDuctile_init
if(maxval(phase_Nsources) /= 0) then
where(source_damage_isoBrittle_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_isoBrittle_ID
where(source_damage_isoDuctile_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_isoDuctile_ID
where(source_damage_anisoBrittle_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_anisoBrittle_ID
where(source_damage_anisoDuctile_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_anisoDuctile_ID
endif
!--------------------------------------------------------------------------------------------------
! initialize kinematic mechanisms
if (any(phase_kinematics == KINEMATICS_cleavage_opening_ID)) call kinematics_cleavage_opening_init
if (any(phase_kinematics == KINEMATICS_slipplane_opening_ID)) call kinematics_slipplane_opening_init
allocate(phase_Nkinematics(phases%length),source = 0)
do ph = 1,phases%length
phase => phases%get(ph)
kinematics => phase%get('kinematics',defaultVal=emptyList)
phase_Nkinematics(ph) = kinematics%length
enddo
allocate(phase_kinematics(maxval(phase_Nkinematics),phases%length), source = KINEMATICS_undefined_ID)
if(maxval(phase_Nkinematics) /= 0) then
where(kinematics_cleavage_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_cleavage_opening_ID
where(kinematics_slipplane_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_slipplane_opening_ID
endif
end subroutine damage_init
@ -168,16 +215,17 @@ end subroutine constitutive_damage_getRateAndItsTangents
!----------------------------------------------------------------------------------------------
!< @brief writes damage sources resultsvto HDF5 output file
!< @brief writes damage sources results to HDF5 output file
!----------------------------------------------------------------------------------------------
module subroutine damage_results
integer :: p,i
character(len=pStringLen) :: group
do p = 1, size(config_name_phase)
do p = 1, size(material_name_phase)
sourceLoop: do i = 1, phase_Nsources(p)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))
group = trim('current/constituent')//'/'//trim(material_name_phase(p))
group = trim(group)//'/sources'
call results_closeGroup(results_addGroup(group))

134
src/constitutive_plastic.f90
View File

@ -5,26 +5,40 @@ submodule(constitutive) constitutive_plastic
interface
module subroutine plastic_none_init
end subroutine plastic_none_init
module function plastic_none_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_none_init
module subroutine plastic_isotropic_init
end subroutine plastic_isotropic_init
module function plastic_isotropic_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_isotropic_init
module subroutine plastic_phenopowerlaw_init
end subroutine plastic_phenopowerlaw_init
module function plastic_phenopowerlaw_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_phenopowerlaw_init
module subroutine plastic_kinehardening_init
end subroutine plastic_kinehardening_init
module function plastic_kinehardening_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_kinehardening_init
module subroutine plastic_dislotwin_init
end subroutine plastic_dislotwin_init
module function plastic_dislotwin_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_dislotwin_init
module subroutine plastic_disloUCLA_init
end subroutine plastic_disloUCLA_init
module function plastic_disloTungsten_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_disloTungsten_init
module subroutine plastic_nonlocal_init
end subroutine plastic_nonlocal_init
module function plastic_nonlocal_init() result(myPlasticity)
logical, dimension(:), allocatable :: &
myPlasticity
end function plastic_nonlocal_init
module subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
@ -80,7 +94,7 @@ submodule(constitutive) constitutive_plastic
of
end subroutine plastic_dislotwin_LpAndItsTangent
pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
pure module subroutine plastic_disloTungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -93,7 +107,7 @@ submodule(constitutive) constitutive_plastic
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloUCLA_LpAndItsTangent
end subroutine plastic_disloTungsten_LpAndItsTangent
module subroutine plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,instance,of,ip,el)
@ -122,11 +136,11 @@ submodule(constitutive) constitutive_plastic
T
end subroutine plastic_dislotwin_dependentState
module subroutine plastic_disloUCLA_dependentState(instance,of)
module subroutine plastic_disloTungsten_dependentState(instance,of)
integer, intent(in) :: &
instance, &
of
end subroutine plastic_disloUCLA_dependentState
end subroutine plastic_disloTungsten_dependentState
module subroutine plastic_nonlocal_dependentState(F, Fp, instance, of, ip, el)
real(pReal), dimension(3,3), intent(in) :: &
@ -159,10 +173,10 @@ submodule(constitutive) constitutive_plastic
character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results
module subroutine plastic_disloUCLA_results(instance,group)
module subroutine plastic_disloTungsten_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
end subroutine plastic_disloUCLA_results
end subroutine plastic_disloTungsten_results
module subroutine plastic_nonlocal_results(instance,group)
integer, intent(in) :: instance
@ -181,21 +195,57 @@ contains
!--------------------------------------------------------------------------------------------------
module subroutine plastic_init
if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init
if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init
if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
call plastic_nonlocal_init
else
call geometry_plastic_nonlocal_disable
endif
integer :: p
class(tNode), pointer :: phases
phases => material_root%get('phase')
allocate(plasticState(phases%length))
allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
allocate(phase_plasticityInstance(phases%length),source = 0)
allocate(phase_localPlasticity(phases%length), source=.true.)
where(plastic_none_init()) phase_plasticity = PLASTICITY_NONE_ID
where(plastic_isotropic_init()) phase_plasticity = PLASTICITY_ISOTROPIC_ID
where(plastic_phenopowerlaw_init()) phase_plasticity = PLASTICITY_PHENOPOWERLAW_ID
where(plastic_kinehardening_init()) phase_plasticity = PLASTICITY_KINEHARDENING_ID
where(plastic_dislotwin_init()) phase_plasticity = PLASTICITY_DISLOTWIN_ID
where(plastic_disloTungsten_init()) phase_plasticity = PLASTICITY_DISLOTUNGSTEN_ID
where(plastic_nonlocal_init()) phase_plasticity = PLASTICITY_NONLOCAL_ID
do p = 1, phases%length
phase_plasticityInstance(p) = count(phase_plasticity(1:p) == phase_plasticity(p))
enddo
end subroutine plastic_init
!--------------------------------------------------------------------------------------------------
!> @brief checks if a plastic module is active or not
!--------------------------------------------------------------------------------------------------
module function plastic_active(plastic_label) result(active_plastic)
character(len=*), intent(in) :: plastic_label !< type of plasticity model
logical, dimension(:), allocatable :: active_plastic
class(tNode), pointer :: &
phases, &
phase, &
pl
integer :: p
phases => material_root%get('phase')
allocate(active_plastic(phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
pl => phase%get('plasticity')
if(pl%get_asString('type') == plastic_label) active_plastic(p) = .true.
enddo
end function plastic_active
!--------------------------------------------------------------------------------------------------
!> @brief calls microstructure function of the different plasticity constitutive models
!--------------------------------------------------------------------------------------------------
@ -222,8 +272,8 @@ module subroutine constitutive_plastic_dependentState(F, Fp, ipc, ip, el)
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_dependentState(temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloUCLA_dependentState(instance,of)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call plastic_disloTungsten_dependentState(instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dependentState (F,Fp,instance,of,ip,el)
end select plasticityType
@ -275,7 +325,7 @@ module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
@ -284,13 +334,13 @@ module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
call plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMp,Mp, temperature(ho)%p(tme),instance,of,ip,el)
call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, temperature(ho)%p(tme),instance,of,ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call plastic_disloTungsten_LpAndItsTangent(Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
end select plasticityType
@ -311,8 +361,8 @@ module subroutine plastic_results
integer :: p
character(len=pStringLen) :: group
plasticityLoop: do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))
plasticityLoop: do p=1,size(material_name_phase)
group = trim('current/constituent')//'/'//trim(material_name_phase(p))
call results_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic'
@ -332,8 +382,8 @@ module subroutine plastic_results
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOUCLA_ID)
call plastic_disloUCLA_results(phase_plasticityInstance(p),group)
case(PLASTICITY_DISLOTUNGSTEN_ID)
call plastic_disloTungsten_results(phase_plasticityInstance(p),group)
case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(p),group)

176
src/constitutive_plastic_disloUCLA.f90 → src/constitutive_plastic_disloTungsten.f90
View File

@ -5,7 +5,7 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief crystal plasticity model for bcc metals, especially Tungsten
!--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_plastic) plastic_disloUCLA
submodule(constitutive:constitutive_plastic) plastic_disloTungsten
real(pReal), parameter :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
@ -20,8 +20,8 @@ submodule(constitutive:constitutive_plastic) plastic_disloUCLA
b_sl, & !< magnitude of burgers vector [m]
D_a, &
i_sl, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, &
tau_0, &
atomicVolume, & !< factor to calculate atomic volume
tau_0, & !< Peierls stress
!* mobility law parameters
delta_F, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s]
@ -46,26 +46,26 @@ submodule(constitutive:constitutive_plastic) plastic_disloUCLA
dipoleFormation !< flag indicating consideration of dipole formation
end type !< container type for internal constitutive parameters
type :: tDisloUCLAState
type :: tDisloTungstenState
real(pReal), dimension(:,:), pointer :: &
rho_mob, &
rho_dip, &
gamma_sl
end type tDisloUCLAState
end type tDisloTungstenState
type :: tDisloUCLAdependentState
type :: tDisloTungstendependentState
real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, &
threshold_stress
end type tDisloUCLAdependentState
end type tDisloTungstendependentState
!--------------------------------------------------------------------------------------------------
! containers for parameters and state
type(tParameters), allocatable, dimension(:) :: param
type(tDisloUCLAState), allocatable, dimension(:) :: &
type(tDisloTungstenState), allocatable, dimension(:) :: &
dotState, &
state
type(tDisloUCLAdependentState), allocatable, dimension(:) :: dependentState
type(tDisloTungstendependentState), allocatable, dimension(:) :: dependentState
contains
@ -74,8 +74,9 @@ contains
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_disloUCLA_init
module function plastic_disloTungsten_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, i, &
@ -90,43 +91,59 @@ module subroutine plastic_disloUCLA_init
a !< non-Schmid coefficients
character(len=pStringLen) :: &
extmsg = ''
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_DISLOUCLA_LABEL//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_disloTungsten init -+>>>'
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
write(6,'(a)') ' https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
Ninstance = count(phase_plasticity == PLASTICITY_DISLOUCLA_ID)
myPlasticity = plastic_active('disloTungsten')
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) return
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(dependentState(Ninstance))
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p))
phases => material_root%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i), &
dst => dependentState(i))
pl => phase%get('plasticity')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
! This data is read in already in lattice
prm%mu = lattice_mu(p)
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then
a = config%getFloats('nonschmid_coefficients',defaultVal = emptyRealArray)
if(trim(phase%get_asString('lattice')) == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
else
@ -134,35 +151,36 @@ module subroutine plastic_disloUCLA_init
prm%nonSchmid_neg = prm%P_sl
endif
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))
prm%forestProjection = lattice_forestProjection_edge(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice'))
prm%forestProjection = lattice_forestProjection_edge(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection = transpose(prm%forestProjection)
rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl))
rho_dip_0 = config%getFloats('rhoedgedip0', requiredSize=size(N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(N_sl))
prm%b_sl = config%getFloats('slipburgers', requiredSize=size(N_sl))
prm%delta_F = config%getFloats('qedge', requiredSize=size(N_sl))
rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_asFloats('rho_dip_0', requiredSize=size(N_sl))
prm%v0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
prm%delta_F = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
prm%i_sl = config%getFloats('clambdaslip', requiredSize=size(N_sl))
prm%tau_0 = config%getFloats('tau_peierls', requiredSize=size(N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(N_sl), &
prm%i_sl = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
prm%tau_0 = pl%get_asFloats('tau_peierls', requiredSize=size(N_sl))
prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl), &
defaultVal=[(1.0_pReal,i=1,size(N_sl))])
prm%q = config%getFloats('q_slip', requiredSize=size(N_sl), &
prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl), &
defaultVal=[(1.0_pReal,i=1,size(N_sl))])
prm%kink_height = config%getFloats('kink_height', requiredSize=size(N_sl))
prm%w = config%getFloats('kink_width', requiredSize=size(N_sl))
prm%omega = config%getFloats('omega', requiredSize=size(N_sl))
prm%B = config%getFloats('friction_coeff', requiredSize=size(N_sl))
prm%kink_height = pl%get_asFloats('h', requiredSize=size(N_sl))
prm%w = pl%get_asFloats('w', requiredSize=size(N_sl))
prm%omega = pl%get_asFloats('omega', requiredSize=size(N_sl))
prm%B = pl%get_asFloats('B', requiredSize=size(N_sl))
prm%D = config%getFloat('grainsize')
prm%D_0 = config%getFloat('d0')
prm%Q_cl = config%getFloat('qsd')
prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
prm%D_a = config%getFloat('cedgedipmindistance') * prm%b_sl
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
prm%D = pl%get_asFloat('D')
prm%D_0 = pl%get_asFloat('D_0')
prm%Q_cl = pl%get_asFloat('Q_cl')
prm%atomicVolume = pl%get_asFloat('f_at') * prm%b_sl**3.0_pReal
prm%D_a = pl%get_asFloat('D_a') * prm%b_sl
prm%dipoleformation = pl%get_asBool('dipole_formation_factor', defaultVal = .true.)
! expand: family => system
rho_mob_0 = math_expand(rho_mob_0, N_sl)
@ -184,14 +202,14 @@ module subroutine plastic_disloUCLA_init
! sanity checks
if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_0'
if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or b_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or b_sl'
if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' D_a or b_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' f_at or b_sl'
else slipActive
rho_mob_0= emptyRealArray; rho_dip_0 = emptyRealArray
@ -208,7 +226,7 @@ module subroutine plastic_disloUCLA_init
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
sizeState = sizeDotState
call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
@ -217,7 +235,7 @@ module subroutine plastic_disloUCLA_init
stt%rho_mob => plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob = spread(rho_mob_0,2,NipcMyPhase)
dot%rho_mob => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
startIndex = endIndex + 1
@ -225,7 +243,7 @@ module subroutine plastic_disloUCLA_init
stt%rho_dip => plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip = spread(rho_dip_0,2,NipcMyPhase)
dot%rho_dip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
@ -244,17 +262,17 @@ module subroutine plastic_disloUCLA_init
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOUCLA_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(disloTungsten)')
enddo
end subroutine plastic_disloUCLA_init
end function plastic_disloTungsten_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculate plastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
pure module subroutine plastic_disloTungsten_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
@ -291,13 +309,13 @@ pure module subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
end associate
end subroutine plastic_disloUCLA_LpAndItsTangent
end subroutine plastic_disloTungsten_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate the rate of change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
module subroutine plastic_disloTungsten_dotState(Mp,T,instance,of)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
@ -351,13 +369,13 @@ module subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
end associate
end subroutine plastic_disloUCLA_dotState
end subroutine plastic_disloTungsten_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate derived quantities from state.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_disloUCLA_dependentState(instance,of)
module subroutine plastic_disloTungsten_dependentState(instance,of)
integer, intent(in) :: &
instance, &
@ -376,13 +394,13 @@ module subroutine plastic_disloUCLA_dependentState(instance,of)
end associate
end subroutine plastic_disloUCLA_dependentState
end subroutine plastic_disloTungsten_dependentState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_disloUCLA_results(instance,group)
module subroutine plastic_disloTungsten_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
@ -392,26 +410,26 @@ module subroutine plastic_disloUCLA_results(instance,group)
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('edge_density') ! ToDo: should be rho_mob
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,'rho_mob',&
case('rho_mob')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,trim(prm%output(o)), &
'mobile dislocation density','1/m²')
case('dipole_density') ! ToDo: should be rho_dip
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,'rho_dip',&
case('rho_dip')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,trim(prm%output(o)), &
'dislocation dipole density''1/m²')
case('shear_rate_slip') ! should be gamma
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',& ! this is not dot!!
case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,trim(prm%output(o)), &
'plastic shear','1')
case('mfp_slip') !ToDo: should be Lambda
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
case('Lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,trim(prm%output(o)), &
'mean free path for slip','m')
case('threshold_stress_slip') !ToDo: should be tau_pass
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%threshold_stress,'tau_pass',&
case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%threshold_stress,trim(prm%output(o)), &
'threshold stress for slip','Pa')
end select
enddo outputsLoop
end associate
end subroutine plastic_disloUCLA_results
end subroutine plastic_disloTungsten_results
!--------------------------------------------------------------------------------------------------
@ -529,4 +547,4 @@ pure subroutine kinetics(Mp,T,instance,of, &
end subroutine kinetics
end submodule plastic_disloUCLA
end submodule plastic_disloTungsten

276
src/constitutive_plastic_dislotwin.f90
View File

@ -22,8 +22,8 @@ submodule(constitutive:constitutive_plastic) plastic_dislotwin
D = 1.0_pReal, & !< grain size
p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
CEdgeDipMinDistance = 1.0_pReal, & !<
i_tw = 1.0_pReal, & !<
CEdgeDipMinDistance = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance
i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
@ -36,7 +36,7 @@ submodule(constitutive:constitutive_plastic) plastic_dislotwin
SFE_0K = 1.0_pReal, & !< stacking fault energy at zero K
dSFE_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
gamma_fcc_hex = 1.0_pReal, & !< Free energy difference between austensite and martensite
i_tr = 1.0_pReal, & !<
i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
h = 1.0_pReal !< Stack height of hex nucleus
real(pReal), allocatable, dimension(:) :: &
b_sl, & !< absolute length of burgers vector [m] for each slip system
@ -56,11 +56,11 @@ submodule(constitutive:constitutive_plastic) plastic_dislotwin
gamma_char, & !< characteristic shear for twins
B !< drag coefficient
real(pReal), allocatable, dimension(:,:) :: &
h_sl_sl, & !<
h_sl_tw, & !<
h_tw_tw, & !<
h_sl_tr, & !<
h_tr_tr, & !<
h_sl_sl, & !< components of slip-slip interaction matrix
h_sl_tw, & !< components of slip-twin interaction matrix
h_tw_tw, & !< components of twin-twin interaction matrix
h_sl_tr, & !< components of slip-trans interaction matrix
h_tr_tr, & !< components of trans-trans interaction matrix
n0_sl, & !< slip system normal
forestProjection, &
C66
@ -98,9 +98,9 @@ submodule(constitutive:constitutive_plastic) plastic_dislotwin
Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
Lambda_tr, & !< mean free path between 2 obstacles seen by a growing martensite
tau_pass, &
tau_hat_tw, &
tau_hat_tr, &
tau_pass, & !< threshold stress for slip
tau_hat_tw, & !< threshold stress for twinning
tau_hat_tr, & !< threshold stress for transformation
V_tw, & !< volume of a new twin
V_tr, & !< volume of a new martensite disc
tau_r_tw, & !< stress to bring partials close together (twin)
@ -122,8 +122,9 @@ contains
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotwin_init
module function plastic_dislotwin_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, i, &
@ -137,8 +138,12 @@ module subroutine plastic_dislotwin_init
rho_dip_0 !< initial dipole dislocation density per slip system
character(len=pStringLen) :: &
extmsg = ''
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_LABEL//' init -+>>>'
write(6,'(/,a)') ' <<<+- constitutive_dislotwin init -+>>>'
write(6,'(/,a)') ' Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012'
@ -149,23 +154,35 @@ module subroutine plastic_dislotwin_init
write(6,'(/,a)') ' Wong et al., Acta Materialia 118:140–151, 2016'
write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032'
Ninstance = count(phase_plasticity == PLASTICITY_DISLOTWIN_ID)
myPlasticity = plastic_active('dislotwin')
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) return
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(dependentState(Ninstance))
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p))
phases => material_root%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
prm%output = config%getStrings('(output)', defaultVal=emptyStringArray)
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i), &
dst => dependentState(i))
pl => phase%get('plasticity')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
! This data is read in already in lattice
prm%mu = lattice_mu(p)
@ -174,49 +191,49 @@ module subroutine plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))
prm%forestProjection = lattice_forestProjection_edge(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice'))
prm%forestProjection = lattice_forestProjection_edge(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection = transpose(prm%forestProjection)
prm%n0_sl = lattice_slip_normal(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%n0_sl = lattice_slip_normal(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == lattice_FCC_ID) &
.and. (N_sl(1) == 12)
if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl))
rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(N_sl))
prm%b_sl = config%getFloats('slipburgers',requiredSize=size(N_sl))
prm%Delta_F = config%getFloats('qedge', requiredSize=size(N_sl))
prm%CLambdaSlip = config%getFloats('clambdaslip',requiredSize=size(N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(N_sl))
prm%q = config%getFloats('q_slip', requiredSize=size(N_sl))
prm%B = config%getFloats('b', requiredSize=size(N_sl), &
rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_asFloats('rho_dip_0', requiredSize=size(N_sl))
prm%v0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
prm%Delta_F = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
prm%CLambdaSlip = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl))
prm%B = pl%get_asFloats('B', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal, i=1,size(N_sl))])
prm%tau_0 = config%getFloat('solidsolutionstrength')
prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
prm%D0 = config%getFloat('d0')
prm%Qsd = config%getFloat('qsd')
prm%ExtendedDislocations = config%keyExists('/extend_dislocations/')
prm%tau_0 = pl%get_asFloat('tau_0')
prm%CEdgeDipMinDistance = pl%get_asFloat('D_a')
prm%D0 = pl%get_asFloat('D_0')
prm%Qsd = pl%get_asFloat('Q_cl')
prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
if (prm%ExtendedDislocations) then
prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%SFE_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dSFE_dT = pl%get_asFloat('dGamma_sf_dT')
endif
prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation',defaultVal = .false.)
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) &
prm%omega = pl%get_asFloat('omega', defaultVal = 1000.0_pReal) &
* merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID]))
! expand: family => system
@ -231,17 +248,17 @@ module subroutine plastic_dislotwin_init
prm%B = math_expand(prm%B, N_sl)
! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd'
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Delta_F'
if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//' CLambdaSlip'
if (any(prm%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//' B'
if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p'
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q'
if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//' p_sl'
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q_sl'
else slipActive
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
allocate(prm%b_sl,prm%Delta_F,prm%v0,prm%CLambdaSlip,prm%p,prm%q,prm%B,source=emptyRealArray)
@ -250,31 +267,31 @@ module subroutine plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
! twin related parameters
N_tw = config%getInts('ntwin', defaultVal=emptyIntArray)
N_tw = pl%get_asInts('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(N_tw))
twinActive: if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,&
config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_tw_tw'), &
phase%get_asString('lattice'))
prm%b_tw = config%getFloats('twinburgers', requiredSize=size(N_tw))
prm%t_tw = config%getFloats('twinsize', requiredSize=size(N_tw))
prm%r = config%getFloats('r_twin', requiredSize=size(N_tw))
prm%b_tw = pl%get_asFloats('b_tw', requiredSize=size(N_tw))
prm%t_tw = pl%get_asFloats('t_tw', requiredSize=size(N_tw))
prm%r = pl%get_asFloats('p_tw', requiredSize=size(N_tw))
prm%xc_twin = config%getFloat('xc_twin')
prm%L_tw = config%getFloat('l0_twin')
prm%i_tw = config%getFloat('cmfptwin')
prm%xc_twin = pl%get_asFloat('x_c_tw')
prm%L_tw = pl%get_asFloat('L_tw')
prm%i_tw = pl%get_asFloat('i_tw')
prm%gamma_char= lattice_characteristicShear_Twin(N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%gamma_char= lattice_characteristicShear_Twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%C66_tw = lattice_C66_twin(N_tw,prm%C66,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%C66_tw = lattice_C66_twin(N_tw,prm%C66,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if (.not. prm%fccTwinTransNucleation) then
prm%dot_N_0_tw = config%getFloats('ndot0_twin')
prm%dot_N_0_tw = pl%get_asFloats('dot_N_0_tw')
prm%dot_N_0_tw = math_expand(prm%dot_N_0_tw,N_tw)
endif
@ -284,12 +301,12 @@ module subroutine plastic_dislotwin_init
prm%r = math_expand(prm%r,N_tw)
! sanity checks
if ( prm%xc_twin < 0.0_pReal) extmsg = trim(extmsg)//' xc_twin'
if ( prm%xc_twin < 0.0_pReal) extmsg = trim(extmsg)//' x_c_twin'
if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw'
if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw'
if (any(prm%t_tw < 0.0_pReal)) extmsg = trim(extmsg)//' t_tw'
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' r'
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' p_tw'
if (.not. prm%fccTwinTransNucleation) then
if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw'
endif
@ -300,46 +317,46 @@ module subroutine plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
! transformation related parameters
N_tr = config%getInts('ntrans', defaultVal=emptyIntArray)
N_tr = pl%get_asInts('N_tr', defaultVal=emptyIntArray)
prm%sum_N_tr = sum(abs(N_tr))
transActive: if (prm%sum_N_tr > 0) then
prm%b_tr = config%getFloats('transburgers')
prm%b_tr = pl%get_asFloats('b_tr')
prm%b_tr = math_expand(prm%b_tr,N_tr)
prm%h = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%gamma_fcc_hex = config%getFloat('deltag')
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = config%getFloat('l0_trans')
prm%h = pl%get_asFloat('h', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = pl%get_asFloat('i_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%gamma_fcc_hex = pl%get_asFloat('delta_G')
prm%xc_trans = pl%get_asFloat('x_c_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = pl%get_asFloat('L_tr')
prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure'))
prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,pl%get_asFloats('h_tr_tr'), &
phase%get_asString('lattice'))
prm%C66_tr = lattice_C66_trans(N_tr,prm%C66,config%getString('trans_lattice_structure'), &
prm%C66_tr = lattice_C66_trans(N_tr,prm%C66,pl%get_asString('trans_lattice_structure'), &
0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
pl%get_asFloat('a_bcc', defaultVal=0.0_pReal), &
pl%get_asFloat('a_fcc', defaultVal=0.0_pReal))
prm%P_tr = lattice_SchmidMatrix_trans(N_tr,config%getString('trans_lattice_structure'), &
prm%P_tr = lattice_SchmidMatrix_trans(N_tr,pl%get_asString('trans_lattice_structure'), &
0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
pl%get_asFloat('a_bcc', defaultVal=0.0_pReal), &
pl%get_asFloat('a_fcc', defaultVal=0.0_pReal))
if (lattice_structure(p) /= lattice_FCC_ID) then
prm%dot_N_0_tr = config%getFloats('ndot0_trans')
prm%dot_N_0_tr = pl%get_asFloats('dot_N_0_tr')
prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,N_tr)
endif
prm%t_tr = config%getFloats('lamellarsize')
prm%t_tr = pl%get_asFloats('t_tr')
prm%t_tr = math_expand(prm%t_tr,N_tr)
prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal])
prm%s = pl%get_asFloats('p_tr',defaultVal=[0.0_pReal])
prm%s = math_expand(prm%s,N_tr)
! sanity checks
if ( prm%xc_trans < 0.0_pReal) extmsg = trim(extmsg)//' xc_trans'
if ( prm%xc_trans < 0.0_pReal) extmsg = trim(extmsg)//' x_c_trans'
if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' s'
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr'
if (lattice_structure(p) /= lattice_FCC_ID) then
if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
endif
@ -350,42 +367,42 @@ module subroutine plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
! shearband related parameters
prm%sbVelocity = config%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
prm%sbVelocity = pl%get_asFloat('v_sb',defaultVal=0.0_pReal)
if (prm%sbVelocity > 0.0_pReal) then
prm%sbResistance = config%getFloat('shearbandresistance')
prm%E_sb = config%getFloat('qedgepersbsystem')
prm%p_sb = config%getFloat('p_shearband')
prm%q_sb = config%getFloat('q_shearband')
prm%sbResistance = pl%get_asFloat('xi_sb')
prm%E_sb = pl%get_asFloat('Q_sb')
prm%p_sb = pl%get_asFloat('p_sb')
prm%q_sb = pl%get_asFloat('q_sb')
! sanity checks
if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance'
if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem'
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband'
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband'
if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' xi_sb'
if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' Q_sb'
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_sb'
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_sb'
endif
!--------------------------------------------------------------------------------------------------
! parameters required for several mechanisms and their interactions
if(prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
prm%D = config%getFloat('grainsize')
prm%D = pl%get_asFloat('D')
twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%V_cs = config%getFloat('vcrossslip')
prm%SFE_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dSFE_dT = pl%get_asFloat('dGamma_sf_dT')
prm%V_cs = pl%get_asFloat('V_cs')
endif twinOrSlipActive
slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_sl_tw'), &
phase%get_asString('lattice'))
if (prm%fccTwinTransNucleation .and. size(N_tw) /= 1) extmsg = trim(extmsg)//' interaction_sliptwin'
endif slipAndTwinActive
slipAndTransActive: if (prm%sum_N_sl * prm%sum_N_tr > 0) then
prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,N_tr,&
config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_sl_tr'), &
phase%get_asString('lattice'))
if (prm%fccTwinTransNucleation .and. size(N_tr) /= 1) extmsg = trim(extmsg)//' interaction_sliptrans'
endif slipAndTransActive
@ -397,7 +414,8 @@ module subroutine plastic_dislotwin_init
+ size(['f_tr']) * prm%sum_N_tr
sizeState = sizeDotState
call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! locally defined state aliases and initialization of state0 and atol
@ -406,7 +424,7 @@ module subroutine plastic_dislotwin_init
stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob= spread(rho_mob_0,2,NipcMyPhase)
dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
startIndex = endIndex + 1
@ -414,7 +432,7 @@ module subroutine plastic_dislotwin_init
stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip= spread(rho_dip_0,2,NipcMyPhase)
dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
@ -428,14 +446,14 @@ module subroutine plastic_dislotwin_init
endIndex = endIndex + prm%sum_N_tw
stt%f_tw=>plasticState(p)%state(startIndex:endIndex,:)
dot%f_tw=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('f_twin',defaultVal=1.0e-7_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr
stt%f_tr=>plasticState(p)%state(startIndex:endIndex,:)
dot%f_tr=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('f_trans',defaultVal=1.0e-6_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
allocate(dst%Lambda_sl (prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
@ -457,11 +475,11 @@ module subroutine plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOTWIN_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(dislotwin)')
enddo
end subroutine plastic_dislotwin_init
end function plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
@ -824,33 +842,33 @@ module subroutine plastic_dislotwin_results(instance,group)
select case(trim(prm%output(o)))
case('rho_mob')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,'rho_mob',&
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,trim(prm%output(o)), &
'mobile dislocation density','1/m²')
case('rho_dip')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,'rho_dip',&
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,trim(prm%output(o)), &
'dislocation dipole density','1/m²')
case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,'gamma_sl',&
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,trim(prm%output(o)), &
'plastic shear','1')
case('lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
case('Lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,trim(prm%output(o)), &
'mean free path for slip','m')
case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%tau_pass,'tau_pass',&
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%tau_pass,trim(prm%output(o)), &
'passing stress for slip','Pa')
case('f_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%f_tw,'f_tw',&
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%f_tw,trim(prm%output(o)), &
'twinned volume fraction','m³/m³')
case('lambda_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%Lambda_tw,'Lambda_tw',&
case('Lambda_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%Lambda_tw,trim(prm%output(o)), &
'mean free path for twinning','m')
case('tau_hat_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%tau_hat_tw,'tau_hat_tw',&
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%tau_hat_tw,trim(prm%output(o)), &
'threshold stress for twinning','Pa')
case('f_tr')
if(prm%sum_N_tr>0) call results_writeDataset(group,stt%f_tr,'f_tr',&
if(prm%sum_N_tr>0) call results_writeDataset(group,stt%f_tr,trim(prm%output(o)), &
'martensite volume fraction','m³/m³')
end select

83
src/constitutive_plastic_isotropic.f90
View File

@ -49,58 +49,78 @@ contains
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_init
module function plastic_isotropic_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, &
i, &
NipcMyPhase, &
sizeState, sizeDotState
real(pReal) :: &
xi_0 !< initial critical stress
character(len=pStringLen) :: &
extmsg = ''
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_ISOTROPIC_LABEL//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_isotropic init -+>>>'
write(6,'(/,a)') ' Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
write(6,'(a)') ' https://doi.org/10.1016/j.scriptamat.2017.09.047'
Ninstance = count(phase_plasticity == PLASTICITY_ISOTROPIC_ID)
myPlasticity = plastic_active('isotropic')
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) return
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_ISOTROPIC_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
config => config_phase(p))
phases => material_root%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i))
pl => phase%get('plasticity')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
#ifdef DEBUG
if (p==material_phaseAt(debugConstitutive%grain,debugConstitutive%element)) &
prm%of_debug = material_phasememberAt(debugConstitutive%grain,debugConstitutive%ip,debugConstitutive%element)
#endif
xi_0 = config%getFloat('tau0')
prm%xi_inf = config%getFloat('tausat')
prm%dot_gamma_0 = config%getFloat('gdot0')
prm%n = config%getFloat('n')
prm%h0 = config%getFloat('h0')
prm%M = config%getFloat('m')
prm%h_ln = config%getFloat('h0_slopelnrate', defaultVal=0.0_pReal)
prm%c_1 = config%getFloat('tausat_sinhfita',defaultVal=0.0_pReal)
prm%c_4 = config%getFloat('tausat_sinhfitb',defaultVal=0.0_pReal)
prm%c_3 = config%getFloat('tausat_sinhfitc',defaultVal=0.0_pReal)
prm%c_2 = config%getFloat('tausat_sinhfitd',defaultVal=0.0_pReal)
prm%a = config%getFloat('a')
xi_0 = pl%get_asFloat('xi_0')
prm%xi_inf = pl%get_asFloat('xi_inf')
prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0')
prm%n = pl%get_asFloat('n')
prm%h0 = pl%get_asFloat('h_0')
prm%M = pl%get_asFloat('M')
prm%h_ln = pl%get_asFloat('h_ln', defaultVal=0.0_pReal)
prm%c_1 = pl%get_asFloat('c_1', defaultVal=0.0_pReal)
prm%c_4 = pl%get_asFloat('c_4', defaultVal=0.0_pReal)
prm%c_3 = pl%get_asFloat('c_3', defaultVal=0.0_pReal)
prm%c_2 = pl%get_asFloat('c_2', defaultVal=0.0_pReal)
prm%a = pl%get_asFloat('a')
prm%dilatation = config%keyExists('/dilatation/')
prm%dilatation = pl%get_AsBool('dilatation',defaultVal = .false.)
!--------------------------------------------------------------------------------------------------
! sanity checks
@ -113,22 +133,22 @@ module subroutine plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['xi ','accumulated_shear'])
sizeDotState = size(['xi ','gamma'])
sizeState = sizeDotState
call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
stt%xi => plasticState(p)%state (1,:)
stt%xi = xi_0
dot%xi => plasticState(p)%dotState(1,:)
plasticState(p)%atol(1) = config%getFloat('atol_xi',defaultVal=1.0_pReal)
plasticState(p)%atol(1) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if (plasticState(p)%atol(1) < 0.0_pReal) extmsg = trim(extmsg)//' atol_xi'
stt%gamma => plasticState(p)%state (2,:)
dot%gamma => plasticState(p)%dotState(2,:)
plasticState(p)%atol(2) = config%getFloat('atol_gamma',defaultVal=1.0e-6_pReal)
plasticState(p)%atol(2) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if (plasticState(p)%atol(2) < 0.0_pReal) extmsg = trim(extmsg)//' atol_gamma'
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(2:2,:)
@ -139,11 +159,11 @@ module subroutine plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_ISOTROPIC_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(isotropic)')
enddo
end subroutine plastic_isotropic_init
end function plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
@ -319,8 +339,9 @@ module subroutine plastic_isotropic_results(instance,group)
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('flowstress') ! ToDo: should be 'xi'
call results_writeDataset(group,stt%xi,'xi','resistance against plastic flow','Pa')
case ('xi')
call results_writeDataset(group,stt%xi,trim(prm%output(o)), &
'resistance against plastic flow','Pa')
end select
enddo outputsLoop
end associate

123
src/constitutive_plastic_kinehardening.f90
View File

@ -58,11 +58,12 @@ contains
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_init
module function plastic_kinehardening_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, o, &
p, i, o, &
NipcMyPhase, &
sizeState, sizeDeltaState, sizeDotState, &
startIndex, endIndex
@ -73,26 +74,42 @@ module subroutine plastic_kinehardening_init
a !< non-Schmid coefficients
character(len=pStringLen) :: &
extmsg = ''
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_KINEHARDENING_LABEL//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_kinehardening init -+>>>'
Ninstance = count(phase_plasticity == PLASTICITY_KINEHARDENING_ID)
myPlasticity = plastic_active('kinehardening')
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) return
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(deltaState(Ninstance))
do p = 1, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_KINEHARDENING_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
dlt => deltaState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)),&
config => config_phase(p))
phases => material_root%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
dlt => deltaState(i), &
stt => state(i))
pl => phase%get('plasticity')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
#ifdef DEBUG
if (p==material_phaseAt(debugConstitutive%grain,debugConstitutive%element)) then
@ -102,14 +119,14 @@ module subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then
prm%P = lattice_SchmidMatrix_slip(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%P = lattice_SchmidMatrix_slip(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then
a = config%getFloats('nonschmid_coefficients',defaultVal = emptyRealArray)
if(trim(phase%get_asString('lattice')) == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal = emptyRealArray)
if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
@ -118,19 +135,19 @@ module subroutine plastic_kinehardening_init
prm%nonSchmid_neg = prm%P
endif
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(N_sl, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice'))
xi_0 = config%getFloats('crss0', requiredSize=size(N_sl))
prm%tau1 = config%getFloats('tau1', requiredSize=size(N_sl))
prm%tau1_b = config%getFloats('tau1_b', requiredSize=size(N_sl))
prm%theta0 = config%getFloats('theta0', requiredSize=size(N_sl))
prm%theta1 = config%getFloats('theta1', requiredSize=size(N_sl))
prm%theta0_b = config%getFloats('theta0_b', requiredSize=size(N_sl))
prm%theta1_b = config%getFloats('theta1_b', requiredSize=size(N_sl))
xi_0 = pl%get_asFloats('xi_0', requiredSize=size(N_sl))
prm%tau1 = pl%get_asFloats('xi_inf_f', requiredSize=size(N_sl))
prm%tau1_b = pl%get_asFloats('xi_inf_b', requiredSize=size(N_sl))
prm%theta0 = pl%get_asFloats('h_0_f', requiredSize=size(N_sl))
prm%theta1 = pl%get_asFloats('h_inf_f', requiredSize=size(N_sl))
prm%theta0_b = pl%get_asFloats('h_0_b', requiredSize=size(N_sl))
prm%theta1_b = pl%get_asFloats('h_inf_b', requiredSize=size(N_sl))
prm%gdot0 = config%getFloat('gdot0')
prm%n = config%getFloat('n_slip')
prm%gdot0 = pl%get_asFloat('dot_gamma_0')
prm%n = pl%get_asFloat('n')
! expand: family => system
xi_0 = math_expand(xi_0, N_sl)
@ -143,11 +160,11 @@ module subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
! sanity checks
if ( prm%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0'
if ( prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'
if (any(xi_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' crss0'
if (any(prm%tau1 <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1'
if (any(prm%tau1_b <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1_b'
if ( prm%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0'
if ( prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' n'
if (any(xi_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0'
if (any(prm%tau1 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_f'
if (any(prm%tau1_b <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_b'
!ToDo: Any sensible checks for theta?
else slipActive
@ -159,11 +176,11 @@ module subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['crss ','crss_back', 'accshear ']) * prm%sum_N_sl
sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%sum_N_sl
sizeDotState = size(['crss ','crss_back', 'accshear ']) * prm%sum_N_sl!ToDo: adjust names, ask Philip
sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%sum_N_sl !ToDo: adjust names
sizeState = sizeDotState + sizeDeltaState
call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
@ -172,20 +189,20 @@ module subroutine plastic_kinehardening_init
stt%crss => plasticState(p)%state (startIndex:endIndex,:)
stt%crss = spread(xi_0, 2, NipcMyPhase)
dot%crss => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_xi',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%crss_back => plasticState(p)%state (startIndex:endIndex,:)
dot%crss_back => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_xi',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%accshear => plasticState(p)%state (startIndex:endIndex,:)
dot%accshear => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_gamma',defaultVal=1.0e-6_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
@ -212,12 +229,12 @@ module subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_KINEHARDENING_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(kinehardening)')
enddo
end subroutine plastic_kinehardening_init
end function plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
@ -364,23 +381,23 @@ module subroutine plastic_kinehardening_results(instance,group)
associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('resistance')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss,'xi_sl', &
case('xi')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss,trim(prm%output(o)), &
'resistance against plastic slip','Pa')
case('backstress') ! ToDo: should be 'tau_back'
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss_back,'tau_back', &
case('tau_b')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%crss_back,trim(prm%output(o)), &
'back stress against plastic slip','Pa')
case ('sense')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%sense,'sense_of_shear', &
case ('sgn(gamma)')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%sense,trim(prm%output(o)), & ! ToDo: could be int
'tbd','1')
case ('chi0')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%chi0,'chi0', &
case ('chi_0')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%chi0,trim(prm%output(o)), &
'tbd','Pa')
case ('gamma0')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma0,'gamma0', &
case ('gamma_0')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma0,trim(prm%output(o)), &
'tbd','1')
case ('accumulatedshear')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%accshear,'gamma_sl', &
case ('gamma')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%accshear,trim(prm%output(o)), &
'plastic shear','1')
end select
enddo outputsLoop

38
src/constitutive_plastic_none.f90
View File

@ -12,26 +12,40 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_none_init
module function plastic_none_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, &
NipcMyPhase
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_NONE_LABEL//' init -+>>>'
Ninstance = count(phase_plasticity == PLASTICITY_NONE_ID)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_NONE_ID) cycle
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
call material_allocateState(plasticState(p),NipcMyPhase,0,0,0)
write(6,'(/,a)') ' <<<+- plastic_none init -+>>>'
phases => material_root%get('phase')
allocate(myPlasticity(phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
pl => phase%get('plasticity')
if(pl%get_asString('type') == 'none') myPlasticity(p) = .true.
enddo
end subroutine plastic_none_init
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) return
do p = 1, phases%length
phase => phases%get(p)
if(.not. myPlasticity(p)) cycle
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
call constitutive_allocateState(plasticState(p),NipcMyPhase,0,0,0)
enddo
end function plastic_none_init
end submodule plastic_none

365
src/constitutive_plastic_nonlocal.f90
View File

@ -163,11 +163,12 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_init
module function plastic_nonlocal_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, &
p, i, &
NipcMyPhase, &
sizeState, sizeDotState, sizeDependentState, sizeDeltaState, &
s1, s2, &
@ -178,8 +179,12 @@ module subroutine plastic_nonlocal_init
extmsg = ''
type(tInitialParameters) :: &
ini
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONLOCAL_LABEL//' init -+>>>'
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- plastic_nonlocal init -+>>>'
write(6,'(/,a)') ' Reuber et al., Acta Materialia 71:333–348, 2014'
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2014.03.012'
@ -187,8 +192,15 @@ module subroutine plastic_nonlocal_init
write(6,'(/,a)') ' Kords, Dissertation RWTH Aachen, 2014'
write(6,'(a)') ' http://publications.rwth-aachen.de/record/229993'
Ninstance = count(phase_plasticity == PLASTICITY_NONLOCAL_ID)
myPlasticity = plastic_active('nonlocal')
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) then
call geometry_plastic_nonlocal_disable
return
endif
allocate(param(Ninstance))
allocate(state(Ninstance))
@ -197,33 +209,43 @@ module subroutine plastic_nonlocal_init
allocate(deltaState(Ninstance))
allocate(microstructure(Ninstance))
do p=1, size(config_phase)
if (phase_plasticity(p) /= PLASTICITY_NONLOCAL_ID) cycle
phases => material_root%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
st0 => state0(phase_plasticityInstance(p)), &
del => deltaState(phase_plasticityInstance(p)), &
dst => microstructure(phase_plasticityInstance(p)), &
config => config_phase(p))
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i), &
st0 => state0(i), &
del => deltaState(i), &
dst => microstructure(i))
pl => phase%get('plasticity')
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
phase_localPlasticity(p) = .not. pl%contains('nonlocal')
prm%atol_rho = config%getFloat('atol_rho',defaultVal=1.0e4_pReal)
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0e4_pReal)
! This data is read in already in lattice
prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p)
ini%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
ini%N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(ini%N_sl))
slipActive: if (prm%sum_N_sl > 0) then
prm%Schmid = lattice_SchmidMatrix_slip(ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%Schmid = lattice_SchmidMatrix_slip(ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then
a = config%getFloats('nonschmid_coefficients',defaultVal = emptyRealArray)
if(trim(phase%get_asString('lattice')) == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal = emptyRealArray)
if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(ini%N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(ini%N_sl,a,-1)
@ -233,20 +255,20 @@ module subroutine plastic_nonlocal_init
endif
prm%interactionSlipSlip = lattice_interaction_SlipBySlip(ini%N_sl, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice'))
prm%forestProjection_edge = lattice_forestProjection_edge (ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection_screw = lattice_forestProjection_screw(ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection_edge = lattice_forestProjection_edge (ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection_screw = lattice_forestProjection_screw(ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%slip_direction = lattice_slip_direction (ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_transverse = lattice_slip_transverse(ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_normal = lattice_slip_normal (ini%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_direction = lattice_slip_direction (ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%slip_transverse = lattice_slip_transverse(ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%slip_normal = lattice_slip_normal (ini%N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
! collinear systems (only for octahedral slip systems in fcc)
allocate(prm%colinearSystem(prm%sum_N_sl), source = -1)
@ -258,113 +280,113 @@ module subroutine plastic_nonlocal_init
enddo
enddo
ini%rhoSglEdgePos0 = config%getFloats('rhosgledgepos0', requiredSize=size(ini%N_sl))
ini%rhoSglEdgeNeg0 = config%getFloats('rhosgledgeneg0', requiredSize=size(ini%N_sl))
ini%rhoSglScrewPos0 = config%getFloats('rhosglscrewpos0', requiredSize=size(ini%N_sl))
ini%rhoSglScrewNeg0 = config%getFloats('rhosglscrewneg0', requiredSize=size(ini%N_sl))
ini%rhoDipEdge0 = config%getFloats('rhodipedge0', requiredSize=size(ini%N_sl))
ini%rhoDipScrew0 = config%getFloats('rhodipscrew0', requiredSize=size(ini%N_sl))
ini%rhoSglEdgePos0 = pl%get_asFloats('rho_u_ed_pos_0', requiredSize=size(ini%N_sl))
ini%rhoSglEdgeNeg0 = pl%get_asFloats('rho_u_ed_neg_0', requiredSize=size(ini%N_sl))
ini%rhoSglScrewPos0 = pl%get_asFloats('rho_u_sc_pos_0', requiredSize=size(ini%N_sl))
ini%rhoSglScrewNeg0 = pl%get_asFloats('rho_u_sc_neg_0', requiredSize=size(ini%N_sl))
ini%rhoDipEdge0 = pl%get_asFloats('rho_d_ed_0', requiredSize=size(ini%N_sl))
ini%rhoDipScrew0 = pl%get_asFloats('rho_d_sc_0', requiredSize=size(ini%N_sl))
prm%lambda0 = config%getFloats('lambda0', requiredSize=size(ini%N_sl))
prm%burgers = config%getFloats('burgers', requiredSize=size(ini%N_sl))
prm%lambda0 = pl%get_asFloats('i_sl', requiredSize=size(ini%N_sl))
prm%burgers = pl%get_asFloats('b_sl', requiredSize=size(ini%N_sl))
prm%lambda0 = math_expand(prm%lambda0,ini%N_sl)
prm%burgers = math_expand(prm%burgers,ini%N_sl)
prm%minDipoleHeight_edge = config%getFloats('minimumdipoleheightedge', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_screw = config%getFloats('minimumdipoleheightscrew', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_edge = pl%get_asFloats('d_ed', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_screw = pl%get_asFloats('d_sc', requiredSize=size(ini%N_sl))
prm%minDipoleHeight_edge = math_expand(prm%minDipoleHeight_edge, ini%N_sl)
prm%minDipoleHeight_screw = math_expand(prm%minDipoleHeight_screw,ini%N_sl)
allocate(prm%minDipoleHeight(prm%sum_N_sl,2))
prm%minDipoleHeight(:,1) = prm%minDipoleHeight_edge
prm%minDipoleHeight(:,2) = prm%minDipoleHeight_screw
prm%peierlsstress_edge = config%getFloats('peierlsstressedge', requiredSize=size(ini%N_sl))
prm%peierlsstress_screw = config%getFloats('peierlsstressscrew', requiredSize=size(ini%N_sl))
prm%peierlsstress_edge = pl%get_asFloats('tau_peierls_ed', requiredSize=size(ini%N_sl))
prm%peierlsstress_screw = pl%get_asFloats('tau_peierls_sc', requiredSize=size(ini%N_sl))
prm%peierlsstress_edge = math_expand(prm%peierlsstress_edge, ini%N_sl)
prm%peierlsstress_screw = math_expand(prm%peierlsstress_screw,ini%N_sl)
allocate(prm%peierlsstress(prm%sum_N_sl,2))
prm%peierlsstress(:,1) = prm%peierlsstress_edge
prm%peierlsstress(:,2) = prm%peierlsstress_screw
prm%significantRho = config%getFloat('significantrho')
prm%significantN = config%getFloat('significantn', 0.0_pReal)
prm%CFLfactor = config%getFloat('cflfactor',defaultVal=2.0_pReal)
prm%significantRho = pl%get_asFloat('rho_significant')
prm%significantN = pl%get_asFloat('rho_num_significant', 0.0_pReal)
prm%CFLfactor = pl%get_asFloat('f_c',defaultVal=2.0_pReal)
prm%atomicVolume = config%getFloat('atomicvolume')
prm%Dsd0 = config%getFloat('selfdiffusionprefactor') !,'dsd0'
prm%selfDiffusionEnergy = config%getFloat('selfdiffusionenergy') !,'qsd'
prm%linetensionEffect = config%getFloat('linetension')
prm%edgeJogFactor = config%getFloat('edgejog')!,'edgejogs'
prm%doublekinkwidth = config%getFloat('doublekinkwidth')
prm%solidSolutionEnergy = config%getFloat('solidsolutionenergy')
prm%solidSolutionSize = config%getFloat('solidsolutionsize')
prm%solidSolutionConcentration = config%getFloat('solidsolutionconcentration')
prm%atomicVolume = pl%get_asFloat('V_at')
prm%Dsd0 = pl%get_asFloat('D_0') !,'dsd0'
prm%selfDiffusionEnergy = pl%get_asFloat('Q_cl') !,'qsd'
prm%linetensionEffect = pl%get_asFloat('f_F')
prm%edgeJogFactor = pl%get_asFloat('f_ed') !,'edgejogs'
prm%doublekinkwidth = pl%get_asFloat('w')
prm%solidSolutionEnergy = pl%get_asFloat('Q_sol')
prm%solidSolutionSize = pl%get_asFloat('f_sol')
prm%solidSolutionConcentration = pl%get_asFloat('c_sol')
prm%p = config%getFloat('p')
prm%q = config%getFloat('q')
prm%viscosity = config%getFloat('viscosity')
prm%fattack = config%getFloat('attackfrequency')
prm%p = pl%get_asFloat('p_sl')
prm%q = pl%get_asFloat('q_sl')
prm%viscosity = pl%get_asFloat('eta')
prm%fattack = pl%get_asFloat('nu_a')
! ToDo: discuss logic
ini%rhoSglScatter = config%getFloat('rhosglscatter')
ini%rhoSglRandom = config%getFloat('rhosglrandom',0.0_pReal)
if (config%keyExists('/rhosglrandom/')) &
ini%rhoSglRandomBinning = config%getFloat('rhosglrandombinning',0.0_pReal) !ToDo: useful default?
ini%rhoSglScatter = pl%get_asFloat('sigma_rho_u')
ini%rhoSglRandom = pl%get_asFloat('random_rho_u',defaultVal= 0.0_pReal)
if (pl%contains('random_rho_u')) &
ini%rhoSglRandomBinning = pl%get_asFloat('random_rho_u_binning',defaultVal=0.0_pReal) !ToDo: useful default?
! if (rhoSglRandom(instance) < 0.0_pReal) &
! if (rhoSglRandomBinning(instance) <= 0.0_pReal) &
prm%surfaceTransmissivity = config%getFloat('surfacetransmissivity',defaultVal=1.0_pReal)
prm%grainboundaryTransmissivity = config%getFloat('grainboundarytransmissivity',defaultVal=-1.0_pReal)
prm%fEdgeMultiplication = config%getFloat('edgemultiplication')
prm%shortRangeStressCorrection = config%keyExists('/shortrangestresscorrection/')
prm%surfaceTransmissivity = pl%get_asFloat('chi_surface',defaultVal=1.0_pReal)
prm%grainboundaryTransmissivity = pl%get_asFloat('chi_GB', defaultVal=-1.0_pReal)
prm%fEdgeMultiplication = pl%get_asFloat('f_ed_mult')
prm%shortRangeStressCorrection = pl%get_asBool('short_range_stress_correction', defaultVal = .false.)
!--------------------------------------------------------------------------------------------------
! sanity checks
if (any(prm%burgers < 0.0_pReal)) extmsg = trim(extmsg)//' burgers'
if (any(prm%lambda0 <= 0.0_pReal)) extmsg = trim(extmsg)//' lambda0'
if (any(prm%burgers < 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%lambda0 <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
if (any(ini%rhoSglEdgePos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglEdgePos0'
if (any(ini%rhoSglEdgeNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglEdgeNeg0'
if (any(ini%rhoSglScrewPos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglScrewPos0'
if (any(ini%rhoSglScrewNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoSglScrewNeg0'
if (any(ini%rhoDipEdge0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDipEdge0'
if (any(ini%rhoDipScrew0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoDipScrew0'
if (any(ini%rhoSglEdgePos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_ed_pos_0'
if (any(ini%rhoSglEdgeNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_ed_neg_0'
if (any(ini%rhoSglScrewPos0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_sc_pos_0'
if (any(ini%rhoSglScrewNeg0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_u_sc_neg_0'
if (any(ini%rhoDipEdge0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_d_ed_0'
if (any(ini%rhoDipScrew0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_d_sc_0'
if (any(prm%peierlsstress < 0.0_pReal)) extmsg = trim(extmsg)//' peierlsstress'
if (any(prm%minDipoleHeight < 0.0_pReal)) extmsg = trim(extmsg)//' minDipoleHeight'
if (any(prm%peierlsstress < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls'
if (any(prm%minDipoleHeight < 0.0_pReal)) extmsg = trim(extmsg)//' d_ed or d_sc'
if (prm%viscosity <= 0.0_pReal) extmsg = trim(extmsg)//' viscosity'
if (prm%selfDiffusionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' selfDiffusionEnergy'
if (prm%fattack <= 0.0_pReal) extmsg = trim(extmsg)//' fattack'
if (prm%doublekinkwidth <= 0.0_pReal) extmsg = trim(extmsg)//' doublekinkwidth'
if (prm%Dsd0 < 0.0_pReal) extmsg = trim(extmsg)//' Dsd0'
if (prm%atomicVolume <= 0.0_pReal) extmsg = trim(extmsg)//' atomicVolume' ! ToDo: in disloUCLA, the atomic volume is given as a factor
if (prm%viscosity <= 0.0_pReal) extmsg = trim(extmsg)//' eta'
if (prm%selfDiffusionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (prm%fattack <= 0.0_pReal) extmsg = trim(extmsg)//' nu_a'
if (prm%doublekinkwidth <= 0.0_pReal) extmsg = trim(extmsg)//' w'
if (prm%Dsd0 < 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if (prm%atomicVolume <= 0.0_pReal) extmsg = trim(extmsg)//' V_at' ! ToDo: in disloTungsten, the atomic volume is given as a factor
if (prm%significantN < 0.0_pReal) extmsg = trim(extmsg)//' significantN'
if (prm%significantrho < 0.0_pReal) extmsg = trim(extmsg)//' significantrho'
if (prm%significantN < 0.0_pReal) extmsg = trim(extmsg)//' rho_num_significant'
if (prm%significantrho < 0.0_pReal) extmsg = trim(extmsg)//' rho_significant'
if (prm%atol_rho < 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
if (prm%CFLfactor < 0.0_pReal) extmsg = trim(extmsg)//' CFLfactor'
if (prm%CFLfactor < 0.0_pReal) extmsg = trim(extmsg)//' f_c'
if (prm%p <= 0.0_pReal .or. prm%p > 1.0_pReal) extmsg = trim(extmsg)//' p'
if (prm%q < 1.0_pReal .or. prm%q > 2.0_pReal) extmsg = trim(extmsg)//' q'
if (prm%p <= 0.0_pReal .or. prm%p > 1.0_pReal) extmsg = trim(extmsg)//' p_sl'
if (prm%q < 1.0_pReal .or. prm%q > 2.0_pReal) extmsg = trim(extmsg)//' q_sl'
if (prm%linetensionEffect < 0.0_pReal .or. prm%linetensionEffect > 1.0_pReal) &
extmsg = trim(extmsg)//' linetensionEffect'
extmsg = trim(extmsg)//' f_F'
if (prm%edgeJogFactor < 0.0_pReal .or. prm%edgeJogFactor > 1.0_pReal) &
extmsg = trim(extmsg)//' edgeJogFactor'
extmsg = trim(extmsg)//' f_ed'
if (prm%solidSolutionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' solidSolutionEnergy'
if (prm%solidSolutionSize <= 0.0_pReal) extmsg = trim(extmsg)//' solidSolutionSize'
if (prm%solidSolutionConcentration <= 0.0_pReal) extmsg = trim(extmsg)//' solidSolutionConcentration'
if (prm%solidSolutionEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' Q_sol'
if (prm%solidSolutionSize <= 0.0_pReal) extmsg = trim(extmsg)//' f_sol'
if (prm%solidSolutionConcentration <= 0.0_pReal) extmsg = trim(extmsg)//' c_sol'
if (prm%grainboundaryTransmissivity > 1.0_pReal) extmsg = trim(extmsg)//' grainboundaryTransmissivity'
if (prm%grainboundaryTransmissivity > 1.0_pReal) extmsg = trim(extmsg)//' chi_GB'
if (prm%surfaceTransmissivity < 0.0_pReal .or. prm%surfaceTransmissivity > 1.0_pReal) &
extmsg = trim(extmsg)//' surfaceTransmissivity'
extmsg = trim(extmsg)//' chi_surface'
if (prm%fEdgeMultiplication < 0.0_pReal .or. prm%fEdgeMultiplication > 1.0_pReal) &
extmsg = trim(extmsg)//' fEdgeMultiplication'
extmsg = trim(extmsg)//' f_ed_mult'
endif slipActive
@ -384,14 +406,14 @@ module subroutine plastic_nonlocal_init
'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
sizeDeltaState = sizeDotState
call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
plasticState(p)%nonlocal = config%KeyExists('/nonlocal/')
plasticState(p)%nonlocal = pl%get_asBool('nonlocal')
if(plasticState(p)%nonlocal .and. .not. allocated(IPneighborhood)) &
call IO_error(212,ext_msg='IPneighborhood does not exist')
plasticState(p)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention
plasticState(p)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention
st0%rho => plasticState(p)%state0 (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rho => plasticState(p)%state (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
@ -458,7 +480,7 @@ module subroutine plastic_nonlocal_init
stt%gamma => plasticState(p)%state (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:NipcMyPhase)
dot%gamma => plasticState(p)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:NipcMyPhase)
del%gamma => plasticState(p)%deltaState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:NipcMyPhase)
plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl ) = config%getFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl ) = pl%get_asFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
if(any(plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pReal)) &
extmsg = trim(extmsg)//' atol_gamma'
plasticState(p)%slipRate => plasticState(p)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:NipcMyPhase)
@ -474,12 +496,12 @@ module subroutine plastic_nonlocal_init
allocate(dst%tau_back(prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
end associate
if (NipcMyPhase > 0) call stateInit(ini,p,NipcMyPhase)
if (NipcMyPhase > 0) call stateInit(ini,p,NipcMyPhase,i)
plasticState(p)%state0 = plasticState(p)%state
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_NONLOCAL_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(nonlocal)')
enddo
@ -491,35 +513,39 @@ module subroutine plastic_nonlocal_init
allocate(iV(maxval(param%sum_N_sl),4,Ninstance), source=0)
allocate(iD(maxval(param%sum_N_sl),2,Ninstance), source=0)
initializeInstances: do p = 1, size(phase_plasticity)
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
myPhase2: if (phase_plasticity(p) == PLASTICITY_NONLOCAL_ID) then
l = 0
do t = 1,4
do s = 1,param(phase_plasticityInstance(p))%sum_N_sl
l = l + 1
iRhoU(s,t,phase_plasticityInstance(p)) = l
enddo
enddo
l = l + (4+2+1+1)*param(phase_plasticityInstance(p))%sum_N_sl ! immobile(4), dipole(2), shear, forest
do t = 1,4
do s = 1,param(phase_plasticityInstance(p))%sum_N_sl
l = l + 1
iV(s,t,phase_plasticityInstance(p)) = l
enddo
enddo
do t = 1,2
do s = 1,param(phase_plasticityInstance(p))%sum_N_sl
l = l + 1
iD(s,t,phase_plasticityInstance(p)) = l
enddo
enddo
if (iD(param(phase_plasticityInstance(p))%sum_N_sl,2,phase_plasticityInstance(p)) /= plasticState(p)%sizeState) &
call IO_error(0, ext_msg = 'state indices not properly set ('//PLASTICITY_NONLOCAL_LABEL//')')
endif myPhase2
enddo initializeInstances
i = 0
do p = 1, phases%length
phase => phases%get(p)
end subroutine plastic_nonlocal_init
if(.not. myPlasticity(p)) cycle
i = i + 1
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
l = 0
do t = 1,4
do s = 1,param(i)%sum_N_sl
l = l + 1
iRhoU(s,t,i) = l
enddo
enddo
l = l + (4+2+1+1)*param(i)%sum_N_sl ! immobile(4), dipole(2), shear, forest
do t = 1,4
do s = 1,param(i)%sum_N_sl
l = l + 1
iV(s,t,i) = l
enddo
enddo
do t = 1,2
do s = 1,param(i)%sum_N_sl
l = l + 1
iD(s,t,i) = l
enddo
enddo
if (iD(param(i)%sum_N_sl,2,i) /= plasticState(p)%sizeState) &
call IO_error(0, ext_msg = 'state indices not properly set (nonlocal)')
enddo
end function plastic_nonlocal_init
!--------------------------------------------------------------------------------------------------
@ -1447,7 +1473,8 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
elseif (prm%grainboundaryTransmissivity >= 0.0_pReal) then
!* GRAIN BOUNDARY !
!* fixed transmissivity for adjacent ips with different texture (only if explicitly given in material.config)
if (material_texture(1,i,e) /= material_texture(1,neighbor_i,neighbor_e) .and. &
if (any(dNeq(material_orientation0(1,i,e)%asQuaternion(), &
material_orientation0(1,neighbor_i,neighbor_e)%asQuaternion())) .and. &
(.not. phase_localPlasticity(neighbor_phase))) &
forall(s1 = 1:ns) my_compatibility(:,s1,s1,n) = sqrt(prm%grainboundaryTransmissivity)
else
@ -1514,56 +1541,56 @@ module subroutine plastic_nonlocal_results(instance,group)
associate(prm => param(instance),dst => microstructure(instance),stt=>state(instance))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('rho_sgl_mob_edg_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_edg_pos, 'rho_sgl_mob_edg_pos', &
case('rho_u_ed_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_edg_pos, trim(prm%output(o)), &
'positive mobile edge density','1/m²')
case('rho_sgl_imm_edg_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_edg_pos, 'rho_sgl_imm_edg_pos',&
case('rho_b_ed_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_edg_pos, trim(prm%output(o)), &
'positive immobile edge density','1/m²')
case('rho_sgl_mob_edg_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_edg_neg, 'rho_sgl_mob_edg_neg',&
case('rho_u_ed_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_edg_neg, trim(prm%output(o)), &
'negative mobile edge density','1/m²')
case('rho_sgl_imm_edg_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_edg_neg, 'rho_sgl_imm_edg_neg',&
case('rho_b_ed_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_edg_neg, trim(prm%output(o)), &
'negative immobile edge density','1/m²')
case('rho_dip_edg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip_edg, 'rho_dip_edg',&
case('rho_d_ed')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip_edg, trim(prm%output(o)), &
'edge dipole density','1/m²')
case('rho_sgl_mob_scr_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_scr_pos, 'rho_sgl_mob_scr_pos',&
case('rho_u_sc_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_scr_pos, trim(prm%output(o)), &
'positive mobile screw density','1/m²')
case('rho_sgl_imm_scr_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_scr_pos, 'rho_sgl_imm_scr_pos',&
case('rho_b_sc_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_scr_pos, trim(prm%output(o)), &
'positive immobile screw density','1/m²')
case('rho_sgl_mob_scr_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_scr_neg, 'rho_sgl_mob_scr_neg',&
case('rho_u_sc_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_mob_scr_neg, trim(prm%output(o)), &
'negative mobile screw density','1/m²')
case('rho_sgl_imm_scr_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_scr_neg, 'rho_sgl_imm_scr_neg',&
case('rho_b_sc_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_sgl_imm_scr_neg, trim(prm%output(o)), &
'negative immobile screw density','1/m²')
case('rho_dip_scr')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip_scr, 'rho_dip_scr',&
case('rho_d_sc')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip_scr, trim(prm%output(o)), &
'screw dipole density','1/m²')
case('rho_forest')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_forest, 'rho_forest',&
case('rho_f')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_forest, trim(prm%output(o)), &
'forest density','1/m²')
case('v_edg_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_edg_pos, 'v_edg_pos',&
case('v_ed_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_edg_pos, trim(prm%output(o)), &
'positive edge velocity','m/s')
case('v_edg_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_edg_neg, 'v_edg_neg',&
case('v_ed_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_edg_neg, trim(prm%output(o)), &
'negative edge velocity','m/s')
case('v_scr_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_scr_pos, 'v_scr_pos',&
case('v_sc_pos')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_scr_pos, trim(prm%output(o)), &
'positive srew velocity','m/s')
case('v_scr_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_scr_neg, 'v_scr_neg',&
case('v_sc_neg')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%v_scr_neg, trim(prm%output(o)), &
'negative screw velocity','m/s')
case('gamma')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma,'gamma',&
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma, trim(prm%output(o)), &
'plastic shear','1')
case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%tau_pass,'tau_pass',&
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%tau_pass, trim(prm%output(o)), &
'passing stress for slip','Pa')
end select
enddo outputsLoop
@ -1575,13 +1602,14 @@ end subroutine plastic_nonlocal_results
!--------------------------------------------------------------------------------------------------
!> @brief populates the initial dislocation density
!--------------------------------------------------------------------------------------------------
subroutine stateInit(ini,phase,NipcMyPhase)
subroutine stateInit(ini,phase,NipcMyPhase,instance)
type(tInitialParameters) :: &
ini
integer,intent(in) :: &
phase, &
NipcMyPhase
NipcMyPhase, &
instance
integer :: &
e, &
i, &
@ -1589,7 +1617,6 @@ subroutine stateInit(ini,phase,NipcMyPhase)
from, &
upto, &
s, &
instance, &
phasemember
real(pReal), dimension(2) :: &
noise, &
@ -1602,7 +1629,7 @@ subroutine stateInit(ini,phase,NipcMyPhase)
real(pReal), dimension(NipcMyPhase) :: &
volume
instance = phase_plasticityInstance(phase)
associate(stt => state(instance))
if (ini%rhoSglRandom > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume

156
src/constitutive_plastic_phenopowerlaw.f90
View File

@ -66,8 +66,9 @@ contains
!> @brief Perform module initialization.
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_init
module function plastic_phenopowerlaw_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstance, &
p, i, &
@ -82,33 +83,46 @@ module subroutine plastic_phenopowerlaw_init
a !< non-Schmid coefficients
character(len=pStringLen) :: &
extmsg = ''
class(tNode), pointer :: &
phases, &
phase, &
pl
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_PHENOPOWERLAW_LABEL//' init -+>>>'
write(6,'(/,a)') ' <<<+- plastic_phenopowerlaw init -+>>>'
Ninstance = count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)
myPlasticity = plastic_active('phenopowerlaw')
Ninstance = count(myPlasticity)
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
if(Ninstance == 0) return
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
config => config_phase(p))
phases => material_root%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i))
pl => phase%get('plasticity')
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then
a = config%getFloats('nonschmid_coefficients',defaultVal = emptyRealArray)
if(phase%get_asString('lattice') == 'bcc') then
a = pl%get_asFloats('nonSchmid_coefficients',defaultVal=emptyRealArray)
if(size(a) > 0) prm%nonSchmidActive = .true.
prm%nonSchmid_pos = lattice_nonSchmidMatrix(N_sl,a,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(N_sl,a,-1)
@ -117,18 +131,18 @@ module subroutine plastic_phenopowerlaw_init
prm%nonSchmid_neg = prm%P_sl
endif
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(N_sl, &
config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_sl_sl'), &
phase%get_asString('lattice'))
xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(N_sl))
prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(N_sl))
prm%H_int = config%getFloats('h_int', requiredSize=size(N_sl), &
xi_slip_0 = pl%get_asFloats('xi_0_sl', requiredSize=size(N_sl))
prm%xi_slip_sat = pl%get_asFloats('xi_inf_sl', requiredSize=size(N_sl))
prm%H_int = pl%get_asFloats('h_int', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal,i=1,size(N_sl))])
prm%gdot0_slip = config%getFloat('gdot0_slip')
prm%n_slip = config%getFloat('n_slip')
prm%a_slip = config%getFloat('a_slip')
prm%h0_SlipSlip = config%getFloat('h0_slipslip')
prm%gdot0_slip = pl%get_asFloat('dot_gamma_0_sl')
prm%n_slip = pl%get_asFloat('n_sl')
prm%a_slip = pl%get_asFloat('a_sl')
prm%h0_SlipSlip = pl%get_asFloat('h_0_sl_sl')
! expand: family => system
xi_slip_0 = math_expand(xi_slip_0, N_sl)
@ -136,11 +150,11 @@ module subroutine plastic_phenopowerlaw_init
prm%H_int = math_expand(prm%H_int, N_sl)
! sanity checks
if ( prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0_slip'
if ( prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//' a_slip'
if ( prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip'
if (any(xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_slip_0'
if (any(prm%xi_slip_sat <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_slip_sat'
if ( prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_sl'
if ( prm%a_slip <= 0.0_pReal) extmsg = trim(extmsg)//' a_sl'
if ( prm%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_sl'
if (any(xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_0_sl'
if (any(prm%xi_slip_sat <= 0.0_pReal)) extmsg = trim(extmsg)//' xi_inf_sl'
else slipActive
xi_slip_0 = emptyRealArray
@ -150,34 +164,34 @@ module subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! twin related parameters
N_tw = config%getInts('ntwin', defaultVal=emptyIntArray)
N_tw = pl%get_asInts('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(N_tw))
twinActive: if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(N_tw,&
config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))
prm%gamma_twin_char = lattice_characteristicShear_twin(N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
pl%get_asFloats('h_tw_tw'), &
phase%get_asString('lattice'))
prm%gamma_twin_char = lattice_characteristicShear_twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
xi_twin_0 = config%getFloats('tau0_twin',requiredSize=size(N_tw))
xi_twin_0 = pl%get_asFloats('xi_0_tw',requiredSize=size(N_tw))
prm%c_1 = config%getFloat('twin_c',defaultVal=0.0_pReal)
prm%c_2 = config%getFloat('twin_b',defaultVal=1.0_pReal)
prm%c_3 = config%getFloat('twin_e',defaultVal=0.0_pReal)
prm%c_4 = config%getFloat('twin_d',defaultVal=0.0_pReal)
prm%gdot0_twin = config%getFloat('gdot0_twin')
prm%n_twin = config%getFloat('n_twin')
prm%spr = config%getFloat('s_pr')
prm%h0_TwinTwin = config%getFloat('h0_twintwin')
prm%c_1 = pl%get_asFloat('c_1',defaultVal=0.0_pReal)
prm%c_2 = pl%get_asFloat('c_2',defaultVal=1.0_pReal)
prm%c_3 = pl%get_asFloat('c_3',defaultVal=0.0_pReal)
prm%c_4 = pl%get_asFloat('c_4',defaultVal=0.0_pReal)
prm%gdot0_twin = pl%get_asFloat('dot_gamma_0_tw')
prm%n_twin = pl%get_asFloat('n_tw')
prm%spr = pl%get_asFloat('f_sl_sat_tw')
prm%h0_TwinTwin = pl%get_asFloat('h_0_tw_tw')
! expand: family => system
xi_twin_0 = math_expand(xi_twin_0,N_tw)
! sanity checks
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0_twin'
if (prm%n_twin <= 0.0_pReal) extmsg = trim(extmsg)//' n_twin'
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//' dot_gamma_0_tw'
if (prm%n_twin <= 0.0_pReal) extmsg = trim(extmsg)//' n_tw'
else twinActive
xi_twin_0 = emptyRealArray
@ -188,13 +202,13 @@ module subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! slip-twin related parameters
slipAndTwinActive: if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
prm%h0_TwinSlip = config%getFloat('h0_twinslip')
prm%h0_TwinSlip = pl%get_asFloat('h_0_tw_sl')
prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(N_sl,N_tw,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_sl_tw'), &
phase%get_asString('lattice'))
prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(N_tw,N_sl,&
config%getFloats('interaction_twinslip'), &
config%getString('lattice_structure'))
pl%get_asFloats('h_tw_sl'), &
phase%get_asString('lattice'))
else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%sum_N_sl,prm%sum_N_tw)) ! at least one dimension is 0
allocate(prm%interaction_TwinSlip(prm%sum_N_tw,prm%sum_N_sl)) ! at least one dimension is 0
@ -203,7 +217,12 @@ module subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! output pararameters
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
!--------------------------------------------------------------------------------------------------
! allocate state arrays
@ -212,7 +231,8 @@ module subroutine plastic_phenopowerlaw_init
+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw
sizeState = sizeDotState
call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
call constitutive_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
@ -221,7 +241,7 @@ module subroutine plastic_phenopowerlaw_init
stt%xi_slip => plasticState(p)%state (startIndex:endIndex,:)
stt%xi_slip = spread(xi_slip_0, 2, NipcMyPhase)
dot%xi_slip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_xi',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
startIndex = endIndex + 1
@ -229,14 +249,14 @@ module subroutine plastic_phenopowerlaw_init
stt%xi_twin => plasticState(p)%state (startIndex:endIndex,:)
stt%xi_twin = spread(xi_twin_0, 2, NipcMyPhase)
dot%xi_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_xi',defaultVal=1.0_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma_slip => plasticState(p)%state (startIndex:endIndex,:)
dot%gamma_slip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_gamma',defaultVal=1.0e-6_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
@ -245,7 +265,7 @@ module subroutine plastic_phenopowerlaw_init
endIndex = endIndex + prm%sum_N_tw
stt%gamma_twin => plasticState(p)%state (startIndex:endIndex,:)
dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_gamma',defaultVal=1.0e-6_pReal)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
@ -254,11 +274,11 @@ module subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(phenopowerlaw)')
enddo
end subroutine plastic_phenopowerlaw_init
end function plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
@ -384,18 +404,18 @@ module subroutine plastic_phenopowerlaw_results(instance,group)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('resistance_slip')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%xi_slip, 'xi_sl', &
case('xi_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%xi_slip, trim(prm%output(o)), &
'resistance against plastic slip','Pa')
case('accumulatedshear_slip')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_slip,'gamma_sl', &
case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_slip,trim(prm%output(o)), &
'plastic shear','1')
case('resistance_twin')
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%xi_twin, 'xi_tw', &
case('xi_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%xi_twin, trim(prm%output(o)), &
'resistance against twinning','Pa')
case('accumulatedshear_twin')
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%gamma_twin,'gamma_tw', &
case('gamma_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%gamma_twin,trim(prm%output(o)), &
'twinning shear','1')
end select

49
src/constitutive_thermal.f90
View File

@ -1,25 +1,31 @@
!----------------------------------------------------------------------------------------------------
!> @brief internal microstructure state for all thermal sources and kinematics constitutive models
!> @brief internal microstructure state for all thermal sources and kinematics constitutive models
!----------------------------------------------------------------------------------------------------
submodule(constitutive) constitutive_thermal
interface
module subroutine source_thermal_dissipation_init
end subroutine source_thermal_dissipation_init
module function source_thermal_dissipation_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
end function source_thermal_dissipation_init
module subroutine source_thermal_externalheat_init
end subroutine source_thermal_externalheat_init
module function source_thermal_externalheat_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
end function source_thermal_externalheat_init
module subroutine kinematics_thermal_expansion_init
end subroutine kinematics_thermal_expansion_init
module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_thermal_expansion_init
module subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDot_dT, Tstar, Lp, phase)
integer, intent(in) :: &
phase !< phase ID of element
real(pReal), intent(in), dimension(3,3) :: &
Tstar !< 2nd Piola Kirchoff stress tensor for a given element
Tstar !< 2nd Piola Kirchhoff stress tensor for a given element
real(pReal), intent(in), dimension(3,3) :: &
Lp !< plastic velocuty gradient for a given element
real(pReal), intent(out) :: &
@ -46,12 +52,15 @@ contains
module subroutine thermal_init
! initialize source mechanisms
if (any(phase_source == SOURCE_thermal_dissipation_ID)) call source_thermal_dissipation_init
if (any(phase_source == SOURCE_thermal_externalheat_ID)) call source_thermal_externalheat_init
if(maxval(phase_Nsources) /= 0) then
where(source_thermal_dissipation_init (maxval(phase_Nsources))) phase_source = SOURCE_thermal_dissipation_ID
where(source_thermal_externalheat_init(maxval(phase_Nsources))) phase_source = SOURCE_thermal_externalheat_ID
endif
!--------------------------------------------------------------------------------------------------
!initialize kinematic mechanisms
if (any(phase_kinematics == KINEMATICS_thermal_expansion_ID)) call kinematics_thermal_expansion_init
if(maxval(phase_Nkinematics) /= 0) where(kinematics_thermal_expansion_init(maxval(phase_Nkinematics))) &
phase_kinematics = KINEMATICS_thermal_expansion_ID
end subroutine thermal_init
@ -66,7 +75,7 @@ module subroutine constitutive_thermal_getRateAndItsTangents(TDot, dTDot_dT, T,
real(pReal), intent(in) :: &
T
real(pReal), intent(in), dimension(:,:,:,:,:) :: &
S, & !< current 2nd Piola Kirchoff stress
S, & !< current 2nd Piola Kirchhoff stress
Lp !< plastic velocity gradient
real(pReal), intent(inout) :: &
TDot, &
@ -82,34 +91,34 @@ module subroutine constitutive_thermal_getRateAndItsTangents(TDot, dTDot_dT, T,
grain, &
source, &
constituent
homog = material_homogenizationAt(el)
instance = thermal_typeInstance(homog)
do grain = 1, homogenization_Ngrains(homog)
phase = material_phaseAt(grain,el)
constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase))
select case(phase_source(source,phase))
case (SOURCE_thermal_dissipation_ID)
call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &
S(1:3,1:3,grain,ip,el), &
Lp(1:3,1:3,grain,ip,el), &
Lp(1:3,1:3,grain,ip,el), &
phase)
case (SOURCE_thermal_externalheat_ID)
call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &
phase, constituent)
case default
my_Tdot = 0.0_pReal
my_dTdot_dT = 0.0_pReal
end select
Tdot = Tdot + my_Tdot
dTdot_dT = dTdot_dT + my_dTdot_dT
enddo
enddo
enddo
end subroutine constitutive_thermal_getRateAndItsTangents

70
src/crystallite.f90
View File

@ -14,7 +14,6 @@ module crystallite
use HDF5_utilities
use DAMASK_interface
use config
use debug
use rotations
use math
use FEsolving
@ -82,7 +81,7 @@ module crystallite
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
nState, & !< state loop limit
nStress !< stress loop limit
character(len=:), allocatable :: &
character(len=:), allocatable :: &
integrator !< integration scheme
real(pReal) :: &
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
@ -140,10 +139,13 @@ subroutine crystallite_init
iMax, & !< maximum number of integration points
eMax, & !< maximum number of elements
myNcomponents !< number of components at current IP
class(tNode), pointer :: &
num_crystallite, &
debug_crystallite ! pointer to debug options for crystallite
debug_crystallite, & ! pointer to debug options for crystallite
phases, &
phase, &
generic_param
write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
@ -233,19 +235,19 @@ subroutine crystallite_init
call IO_error(301,ext_msg='integrator')
end select
allocate(output_constituent(size(config_phase)))
do c = 1, size(config_phase)
phases => material_root%get('phase')
allocate(output_constituent(phases%length))
do c = 1, phases%length
phase => phases%get(c)
generic_param => phase%get('generic',defaultVal = emptyDict)
#if defined(__GFORTRAN__)
allocate(output_constituent(c)%label(1))
output_constituent(c)%label(1)= 'GfortranBug86277'
output_constituent(c)%label = config_phase(c)%getStrings('(output)',defaultVal=output_constituent(c)%label )
if (output_constituent(c)%label (1) == 'GfortranBug86277') output_constituent(c)%label = [character(len=pStringLen)::]
output_constituent(c)%label = output_asStrings(generic_param)
#else
output_constituent(c)%label = config_phase(c)%getStrings('(output)',defaultVal=[character(len=pStringLen)::])
output_constituent(c)%label = generic_param%get_asStrings('output',defaultVal=emptyStringArray)
#endif
enddo
call config_deallocate('material.config/phase')
!--------------------------------------------------------------------------------------------------
! initialize
@ -681,46 +683,46 @@ subroutine crystallite_results
type(rotation), allocatable, dimension(:) :: selected_rotations
character(len=pStringLen) :: group,structureLabel
do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))//'/generic'
do p=1,size(material_name_phase)
group = trim('current/constituent')//'/'//trim(material_name_phase(p))//'/generic'
call results_closeGroup(results_addGroup(group))
do o = 1, size(output_constituent(p)%label)
select case (output_constituent(p)%label(o))
case('f')
case('F')
selected_tensors = select_tensors(crystallite_partionedF,p)
call results_writeDataset(group,selected_tensors,'F',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'deformation gradient','1')
case('fe')
case('Fe')
selected_tensors = select_tensors(crystallite_Fe,p)
call results_writeDataset(group,selected_tensors,'Fe',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'elastic deformation gradient','1')
case('fp')
case('Fp')
selected_tensors = select_tensors(crystallite_Fp,p)
call results_writeDataset(group,selected_tensors,'Fp',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'plastic deformation gradient','1')
case('fi')
case('Fi')
selected_tensors = select_tensors(crystallite_Fi,p)
call results_writeDataset(group,selected_tensors,'Fi',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'inelastic deformation gradient','1')
case('lp')
case('Lp')
selected_tensors = select_tensors(crystallite_Lp,p)
call results_writeDataset(group,selected_tensors,'Lp',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'plastic velocity gradient','1/s')
case('li')
case('Li')
selected_tensors = select_tensors(crystallite_Li,p)
call results_writeDataset(group,selected_tensors,'Li',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'inelastic velocity gradient','1/s')
case('p')
case('P')
selected_tensors = select_tensors(crystallite_P,p)
call results_writeDataset(group,selected_tensors,'P',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'First Piola-Kirchoff stress','Pa')
case('s')
case('S')
selected_tensors = select_tensors(crystallite_S,p)
call results_writeDataset(group,selected_tensors,'S',&
call results_writeDataset(group,selected_tensors,output_constituent(p)%label(o),&
'Second Piola-Kirchoff stress','Pa')
case('orientation')
case('O')
select case(lattice_structure(p))
case(lattice_ISO_ID)
structureLabel = 'iso'
@ -736,7 +738,7 @@ subroutine crystallite_results
structureLabel = 'ort'
end select
selected_rotations = select_rotations(crystallite_orientation,p)
call results_writeDataset(group,selected_rotations,'orientation',&
call results_writeDataset(group,selected_rotations,output_constituent(p)%label(o),&
'crystal orientation as quaternion',structureLabel)
end select
enddo
@ -1575,7 +1577,7 @@ subroutine crystallite_restartWrite
call HDF5_write(fileHandle,crystallite_S, 'S')
groupHandle = HDF5_addGroup(fileHandle,'constituent')
do i = 1,size(phase_plasticity)
do i = 1,size(material_name_phase)
write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_write(groupHandle,plasticState(i)%state,datasetName)
enddo
@ -1616,7 +1618,7 @@ subroutine crystallite_restartRead
call HDF5_read(fileHandle,crystallite_S0, 'S')
groupHandle = HDF5_openGroup(fileHandle,'constituent')
do i = 1,size(phase_plasticity)
do i = 1,size(material_name_phase)
write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_read(groupHandle,plasticState(i)%state0,datasetName)
enddo

26
src/damage_local.f90
View File

@ -7,7 +7,6 @@ module damage_local
use IO
use material
use config
use numerics
use YAML_types
use constitutive
use results
@ -44,9 +43,13 @@ contains
subroutine damage_local_init
integer :: Ninstance,NofMyHomog,h
class(tNode), pointer :: num_generic
class(tNode), pointer :: &
num_generic, &
material_homogenization, &
homog, &
homogDamage
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'; flush(6)
write(6,'(/,a)') ' <<<+- damage_local init -+>>>'; flush(6)
!----------------------------------------------------------------------------------------------
! read numerics parameter and do sanity check
@ -57,11 +60,18 @@ subroutine damage_local_init
Ninstance = count(damage_type == DAMAGE_local_ID)
allocate(param(Ninstance))
do h = 1, size(config_homogenization)
material_homogenization => material_root%get('homogenization')
do h = 1, material_homogenization%length
if (damage_type(h) /= DAMAGE_LOCAL_ID) cycle
associate(prm => param(damage_typeInstance(h)),config => config_homogenization(h))
homog => material_homogenization%get(h)
homogDamage => homog%get('damage')
associate(prm => param(damage_typeInstance(h)))
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
#if defined (__GFORTRAN__)
prm%output = output_asStrings(homogDamage)
#else
prm%output = homogDamage%get_asStrings('output',defaultVal=emptyStringArray)
#endif
NofMyHomog = count(material_homogenizationAt == h)
damageState(h)%sizeState = 1
@ -152,8 +162,8 @@ subroutine damage_local_results(homog,group)
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%output)
select case(prm%output(o))
case ('damage')
call results_writeDataset(group,damage(homog)%p,'phi',&
case ('phi')
call results_writeDataset(group,damage(homog)%p,prm%output(o),&
'damage indicator','-')
end select
enddo outputsLoop

4
src/damage_none.f90
View File

@ -18,9 +18,9 @@ subroutine damage_none_init
integer :: h,NofMyHomog
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_NONE_LABEL//' init -+>>>'; flush(6)
write(6,'(/,a)') ' <<<+- damage_none init -+>>>'; flush(6)
do h = 1, size(config_homogenization)
do h = 1, material_Nhomogenization
if (damage_type(h) /= DAMAGE_NONE_ID) cycle
NofMyHomog = count(material_homogenizationAt == h)

25
src/damage_nonlocal.f90
View File

@ -6,7 +6,6 @@ module damage_nonlocal
use prec
use material
use config
use numerics
use YAML_types
use crystallite
use lattice
@ -49,9 +48,12 @@ subroutine damage_nonlocal_init
integer :: Ninstance,NofMyHomog,h
class(tNode), pointer :: &
num_generic
num_generic, &
material_homogenization, &
homog, &
homogDamage
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'; flush(6)
write(6,'(/,a)') ' <<<+- damage_nonlocal init -+>>>'; flush(6)
!------------------------------------------------------------------------------------
! read numerics parameter
@ -61,11 +63,18 @@ subroutine damage_nonlocal_init
Ninstance = count(damage_type == DAMAGE_nonlocal_ID)
allocate(param(Ninstance))
do h = 1, size(config_homogenization)
material_homogenization => material_root%get('homogenization')
do h = 1, material_homogenization%length
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
associate(prm => param(damage_typeInstance(h)),config => config_homogenization(h))
homog => material_homogenization%get(h)
homogDamage => homog%get('damage')
associate(prm => param(damage_typeInstance(h)))
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
#if defined (__GFORTRAN__)
prm%output = output_asStrings(homogDamage)
#else
prm%output = homogDamage%get_asStrings('output',defaultVal=emptyStringArray)
#endif
NofMyHomog = count(material_homogenizationAt == h)
damageState(h)%sizeState = 1
@ -191,8 +200,8 @@ subroutine damage_nonlocal_results(homog,group)
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%output)
select case(prm%output(o))
case ('damage')
call results_writeDataset(group,damage(homog)%p,'phi',&
case ('phi')
call results_writeDataset(group,damage(homog)%p,prm%output(o),&
'damage indicator','-')
end select
enddo outputsLoop

50
src/debug.f90
View File

@ -1,50 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Reading in and interpretating the debugging settings for the various modules
!--------------------------------------------------------------------------------------------------
module debug
use prec
use IO
use YAML_types
use YAML_parse
implicit none
private
class(tNode), pointer, protected, public :: &
debug_root !< root pointer storing the debug YAML structure
public :: debug_init
contains
!--------------------------------------------------------------------------------------------------
!> @brief reads in parameters from debug.config and allocates arrays
!--------------------------------------------------------------------------------------------------
subroutine debug_init
character(len=:), allocatable :: &
debug_input, &
debug_inFlow
logical :: fexist
write(6,'(/,a)') ' <<<+- debug init -+>>>'
#ifdef DEBUG
write(6,'(a)') achar(27)//'[31m <<<+- DEBUG version -+>>>'//achar(27)//'[0m'
#endif
debug_root => emptyDict
inquire(file='debug.yaml', exist=fexist)
fileExists: if (fexist) then
debug_input = IO_read('debug.yaml')
debug_inFlow = to_flow(debug_input)
debug_root => parse_flow(debug_inFlow)
endif fileExists
end subroutine debug_init
end module debug

3
src/grid/DAMASK_grid.f90
View File

@ -13,7 +13,6 @@ program DAMASK_grid
use DAMASK_interface
use IO
use config
use debug
use math
use CPFEM2
use material
@ -36,7 +35,7 @@ program DAMASK_grid
N_t = 0, & !< # of time indicators found in load case file
N_n = 0, & !< # of increment specifiers found in load case file
N_def = 0 !< # of rate of deformation specifiers found in load case file
character(len=pStringLen) :: &
character(len=:), allocatable :: &
line
!--------------------------------------------------------------------------------------------------

3
src/grid/discretization_grid.f90
View File

@ -12,8 +12,7 @@ module discretization_grid
use system_routines
use DAMASK_interface
use IO
use debug
use numerics
use config
use results
use discretization
use geometry_plastic_nonlocal

6
src/grid/grid_damage_spectral.f90
View File

@ -15,7 +15,7 @@ module grid_damage_spectral
use spectral_utilities
use discretization_grid
use damage_nonlocal
use numerics
use config
use YAML_types
implicit none
@ -210,8 +210,8 @@ function grid_damage_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr)
if (solution%converged) &
write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
phi_min, phi_max, stagNorm
write(6,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
phi_min, phi_max, stagNorm
write(6,'(/,a)') ' ==========================================================================='
flush(6)

5
src/grid/grid_mech_FEM.f90
View File

@ -16,11 +16,10 @@ module grid_mech_FEM
use math
use spectral_utilities
use FEsolving
use numerics
use config
use homogenization
use discretization
use discretization_grid
use debug
implicit none
private
@ -71,7 +70,7 @@ module grid_mech_FEM
F_aim_lastInc = math_I3, & !< previous average deformation gradient
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=pStringLen), private :: incInfo !< time and increment information
character(len=:), allocatable, private :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness

4
src/grid/grid_mech_spectral_basic.f90
View File

@ -17,10 +17,8 @@ module grid_mech_spectral_basic
use spectral_utilities
use FEsolving
use config
use numerics
use homogenization
use discretization_grid
use debug
implicit none
private
@ -66,7 +64,7 @@ module grid_mech_spectral_basic
F_aim_lastInc = math_I3, & !< previous average deformation gradient
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
character(len=pStringLen) :: incInfo !< time and increment information
character(len=:), allocatable :: incInfo !< time and increment information
real(pReal), private, dimension(3,3,3,3) :: &
C_volAvg = 0.0_pReal, & !< current volume average stiffness
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness

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