Merge branch 'nice-error-message-add_xxx' into development
This commit is contained in:
Samad Vakili
commit
792db2975d
|
|
@ -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
2
PRIVATE
|
|
@ -1 +1 @@
|
|||
Subproject commit 3fc9d58a35614fd8ffa1179e634431eb457d0150
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||||
Subproject commit a16d1e45a2ed925e12244b0879b9d7e5a58d973b
|
||||
|
|
@ -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
|
||||
|
|
@ -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
|
||||
|
||||
|
|
@ -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()
|
||||
|
|
@ -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()
|
||||
|
|
@ -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)
|
||||
|
|
@ -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)
|
||||
|
|
@ -1,4 +1,4 @@
|
|||
#!/usr/bin/env python2.7
|
||||
#!/usr/bin/env python3
|
||||
|
||||
import os
|
||||
import sys
|
||||
|
|
@ -17,48 +17,44 @@ 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)}
|
||||
|
|
@ -75,11 +71,9 @@ 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.
|
||||
|
||||
|
|
@ -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()
|
||||
|
|
@ -153,15 +140,6 @@ 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:
|
||||
|
|
@ -180,8 +158,8 @@ for filename in filenames:
|
|||
|
||||
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)
|
||||
|
|
@ -196,7 +174,7 @@ for filename in filenames:
|
|||
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
|
||||
|
|
@ -212,7 +190,7 @@ for filename in filenames:
|
|||
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()
|
||||
|
||||
|
|
@ -221,7 +199,7 @@ for filename in filenames:
|
|||
|
||||
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()
|
||||
|
||||
|
|
@ -250,9 +228,9 @@ for filename in filenames:
|
|||
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
|
||||
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])
|
||||
|
|
@ -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]
|
||||
|
|
@ -357,7 +335,7 @@ 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)
|
||||
kdTree.FindClosestNPoints(1,pointgrid.GetPoint(i),ids)
|
||||
for j in range(ids.GetNumberOfIds()):
|
||||
gridToMesh[-1].extend([ids.GetId(j)])
|
||||
if options.verbose:
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
|
@ -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)
|
||||
|
|
@ -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))
|
||||
|
|
|
|||
|
|
@ -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):
|
||||
|
|
|
|||
|
|
@ -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:
|
||||
|
|
|
|||
|
|
@ -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.
|
||||
|
|
@ -46,12 +48,21 @@ class Geom:
|
|||
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'# 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):
|
||||
|
|
@ -410,12 +434,17 @@ 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()
|
||||
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:
|
||||
|
|
@ -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):
|
||||
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)
|
||||
|
|
|
|||
|
|
@ -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'},
|
||||
|
|
|
|||
|
|
@ -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)):
|
||||
|
|
|
|||
|
|
@ -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.
|
||||
|
||||
"""
|
||||
|
|
|
|||
|
|
@ -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())
|
||||
|
|
|
|||
|
|
@ -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:
|
||||
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)
|
||||
|
|
|
|||
|
|
@ -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))
|
||||
|
|
|
|||
|
|
@ -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
|
||||
####################################################################################################
|
||||
|
|
|
|||
|
|
@ -20,6 +20,8 @@ setuptools.setup(
|
|||
"scipy",
|
||||
"h5py",
|
||||
"vtk",
|
||||
"matplotlib",
|
||||
"PIL",
|
||||
],
|
||||
classifiers = [
|
||||
"Intended Audience :: Science/Research",
|
||||
|
|
|
|||
|
|
@ -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):
|
||||
|
|
|
|||
|
|
@ -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,
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
Binary file not shown.
|
After Width: | Height: | Size: 147 B |
Binary file not shown.
|
After Width: | Height: | Size: 138 B |
|
|
@ -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>
|
||||
|
|
@ -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>
|
||||
|
|
@ -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>
|
||||
|
|
@ -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">
|
||||
AQAAAACAAAAALQAAOgAAAA==eF7t1CEOACAMBMHS/z8aXwNJSagYMe6y8jIislgNtTW9d9oD/PL6r6b3AAAAAAAAAAAA4MYGlRYLYA==
|
||||
</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>
|
||||
|
|
@ -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">
|
||||
AQAAAACAAAAALQAANwAAAA==eF7t1KERADAMA7Gk+w9dWpYCswiI+R66q6rDzmPa/kj3ALZK/2m6BwAAAAAAAAAAAJMLZrELTQ==
|
||||
</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>
|
||||
|
|
@ -0,0 +1,25 @@
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1 1 1 2 2 2 2 2
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
17 18 19 20 21 22 23 24 24 23 22 21 20 19 18 17
|
||||
25 26 27 28 29 30 31 32 32 31 30 29 28 27 26 25
|
||||
33 34 35 36 37 38 39 40 40 39 38 37 36 35 34 33
|
||||
33 34 35 36 37 38 39 40 40 39 38 37 36 35 34 33
|
||||
25 26 27 28 29 30 31 32 32 31 30 29 28 27 26 25
|
||||
17 18 19 20 21 22 23 24 24 23 22 21 20 19 18 17
|
||||
9 10 11 12 13 14 15 16 16 15 14 13 12 11 10 9
|
||||
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|
||||
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|
||||
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|
||||
17 18 19 20 21 22 23 24 24 23 22 21 20 19 18 17
|
||||
25 26 27 28 29 30 31 32 32 31 30 29 28 27 26 25
|
||||
33 34 35 36 37 38 39 40 40 39 38 37 36 35 34 33
|
||||
33 34 35 36 37 38 39 40 40 39 38 37 36 35 34 33
|
||||
25 26 27 28 29 30 31 32 32 31 30 29 28 27 26 25
|
||||
17 18 19 20 21 22 23 24 24 23 22 21 20 19 18 17
|
||||
9 10 11 12 13 14 15 16 16 15 14 13 12 11 10 9
|
||||
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|
||||
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|
||||
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||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
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||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
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||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
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||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
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||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2 2 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 9 8 7 6 5 4 3 2
|
||||
10 11 12 13 14 15 16 17 17 16 15 14 13 12 11 10
|
||||
18 19 20 21 22 23 24 25 25 24 23 22 21 20 19 18
|
||||
26 27 28 29 30 31 32 33 33 32 31 30 29 28 27 26
|
||||
34 35 36 37 38 39 40 41 41 40 39 38 37 36 35 34
|
||||
34 35 36 37 38 39 40 41 41 40 39 38 37 36 35 34
|
||||
26 27 28 29 30 31 32 33 33 32 31 30 29 28 27 26
|
||||
18 19 20 21 22 23 24 25 25 24 23 22 21 20 19 18
|
||||
10 11 12 13 14 15 16 17 17 16 15 14 13 12 11 10
|
||||
2 3 4 5 6 7 8 9 9 8 7 6 5 4 3 2
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
|
|
|
|||
|
|
@ -3,23 +3,23 @@ grid a 14 b 5 c 4
|
|||
size x 1.4e-05 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 2 2 22 2 1
|
||||
1 1 6 26 2 2 5 25 5 2 2 26 6 1
|
||||
1 1 10 30 2 2 9 29 9 2 2 30 10 1
|
||||
1 1 14 34 2 2 13 33 13 2 2 34 14 1
|
||||
1 1 18 38 2 2 17 37 17 2 2 38 18 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 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 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 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
1 1 1 1 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
|
||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2 2 2 2 2 2 2
|
||||
2 2 2 2 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
|
||||
|
|
|
|||
|
|
@ -3,51 +3,51 @@ grid a 8 b 8 c 6
|
|||
size x 8e-06 y 8.000000000000001e-06 z 6e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 18 38 2 2 17 37
|
||||
1 1 14 34 2 2 13 33
|
||||
1 1 10 30 2 2 9 29
|
||||
1 1 6 26 2 2 5 25
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 5 25 2 2 4 24
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 21 41 2 2 20 40
|
||||
1 1 17 37 2 2 16 36
|
||||
1 1 13 33 2 2 12 32
|
||||
1 1 9 29 2 2 8 28
|
||||
1 1 4 24 2 2 3 23
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 20 40 2 2 19 39
|
||||
1 1 16 36 2 2 15 35
|
||||
1 1 12 32 2 2 11 31
|
||||
1 1 8 28 2 2 7 27
|
||||
1 1 3 23 2 2 2 22
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 19 39 2 2 18 38
|
||||
1 1 15 35 2 2 14 34
|
||||
1 1 11 31 2 2 10 30
|
||||
1 1 7 27 2 2 6 26
|
||||
1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1
|
||||
1 1 1 1 1 1 1 1
|
||||
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
|
||||
10 11 12 13 14 15 16 17
|
||||
18 19 20 21 22 23 24 25
|
||||
26 27 28 29 30 31 32 33
|
||||
34 35 36 37 38 39 40 41
|
||||
26 27 28 29 30 31 32 33
|
||||
18 19 20 21 22 23 24 25
|
||||
10 11 12 13 14 15 16 17
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
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
|
||||
9 10 11 12 13 14 15 16
|
||||
17 18 19 20 21 22 23 24
|
||||
25 26 27 28 29 30 31 32
|
||||
33 34 35 36 37 38 39 40
|
||||
25 26 27 28 29 30 31 32
|
||||
17 18 19 20 21 22 23 24
|
||||
9 10 11 12 13 14 15 16
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 2 2 2 2 2 2 2
|
||||
2 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
|
||||
10 11 12 13 14 15 16 17
|
||||
18 19 20 21 22 23 24 25
|
||||
26 27 28 29 30 31 32 33
|
||||
34 35 36 37 38 39 40 41
|
||||
26 27 28 29 30 31 32 33
|
||||
18 19 20 21 22 23 24 25
|
||||
10 11 12 13 14 15 16 17
|
||||
|
|
|
|||
|
|
@ -3,51 +3,51 @@ grid a 14 b 8 c 6
|
|||
size x 1.4e-05 y 8.000000000000001e-06 z 6e-06
|
||||
origin x 0.0 y 0.0 z 0.0
|
||||
homogenization 1
|
||||
1 1 2 22 2 2 1 21 1 2 2 22 2 1
|
||||
1 1 6 26 2 2 5 25 5 2 2 26 6 1
|
||||
1 1 10 30 2 2 9 29 9 2 2 30 10 1
|
||||
1 1 14 34 2 2 13 33 13 2 2 34 14 1
|
||||
1 1 18 38 2 2 17 37 17 2 2 38 18 1
|
||||
1 1 14 34 2 2 13 33 13 2 2 34 14 1
|
||||
1 1 10 30 2 2 9 29 9 2 2 30 10 1
|
||||
1 1 6 26 2 2 5 25 5 2 2 26 6 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 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 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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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:
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
||||
|
|
|
|||
|
|
@ -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):
|
||||
@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)
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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):
|
||||
|
|
|
|||
|
|
@ -5,7 +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
|
||||
|
||||
|
|
|
|||
|
|
@ -5,8 +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
|
||||
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -13,7 +13,7 @@ module HDF5_utilities
|
|||
use prec
|
||||
use IO
|
||||
use rotations
|
||||
use numerics
|
||||
use config
|
||||
|
||||
implicit none
|
||||
public
|
||||
|
|
@ -246,6 +246,7 @@ end function HDF5_openGroup
|
|||
subroutine HDF5_closeGroup(group_id)
|
||||
|
||||
integer(HID_T), intent(in) :: group_id
|
||||
|
||||
integer :: hdferr
|
||||
|
||||
call h5gclose_f(group_id, hdferr)
|
||||
|
|
@ -263,7 +264,7 @@ logical function HDF5_objectExists(loc_id,path)
|
|||
character(len=*), intent(in), optional :: path
|
||||
|
||||
integer :: hdferr
|
||||
character(len=pStringLen) :: p
|
||||
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 :: hdferr
|
||||
character(len=:), allocatable :: p
|
||||
|
||||
if (present(path)) then
|
||||
p = trim(path)
|
||||
|
|
@ -338,10 +339,10 @@ subroutine HDF5_addAttribute_int(loc_id,attrLabel,attrValue,path)
|
|||
integer, intent(in) :: attrValue
|
||||
character(len=*), intent(in), optional :: path
|
||||
|
||||
integer :: hdferr
|
||||
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)
|
||||
|
|
@ -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
|
||||
integer :: hdferr
|
||||
logical :: attrExists
|
||||
character(len=pStringLen) :: p
|
||||
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)
|
||||
|
|
|
|||
14
src/IO.f90
14
src/IO.f90
|
|
@ -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.
|
||||
|
|
@ -414,7 +414,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
character(len=*), optional, intent(in) :: ext_msg
|
||||
|
||||
external :: quit
|
||||
character(len=pStringLen) :: msg
|
||||
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)
|
||||
|
|
@ -661,7 +659,7 @@ 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=:), allocatable :: msg
|
||||
character(len=pStringLen) :: formatString
|
||||
|
||||
select case (warning_ID)
|
||||
|
|
@ -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')
|
||||
|
|
|
|||
|
|
@ -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
|
||||
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(flow_string(:)))
|
||||
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')
|
||||
|
|
|
|||
|
|
@ -8,12 +8,10 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
|
||||
module YAML_types
|
||||
|
||||
use IO
|
||||
use prec
|
||||
|
||||
implicit none
|
||||
|
||||
private
|
||||
|
||||
type, abstract, public :: tNode
|
||||
|
|
@ -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
|
||||
|
|
@ -711,7 +710,6 @@ function tNode_get_byKey_asFloat(self,k,defaultVal) result(nodeAsFloat)
|
|||
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
|
||||
|
||||
real(pReal), dimension(:), allocatable :: nodeAsFloats
|
||||
|
||||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
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
|
||||
integer, dimension(:), intent(in), optional :: defaultVal
|
||||
integer, intent(in), optional :: requiredSize
|
||||
integer, dimension(:), allocatable :: nodeAsInts
|
||||
|
||||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
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(:), intent(in), optional :: defaultVal
|
||||
logical, dimension(:), allocatable :: nodeAsBools
|
||||
|
||||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
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=*), intent(in), dimension(:), optional :: defaultVal
|
||||
character(len=:), allocatable, dimension(:) :: nodeAsStrings
|
||||
|
||||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
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
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -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"
|
||||
|
|
|
|||
327
src/config.f90
327
src/config.f90
|
|
@ -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, &
|
||||
|
|
@ -38,226 +39,116 @@ 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')
|
||||
call parse_material
|
||||
call parse_numerics
|
||||
call parse_debug
|
||||
|
||||
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
|
||||
|
||||
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)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief reads in parameters from numerics.yaml and sets openMP related parameters. Also does
|
||||
! a sanity check
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parse_numerics
|
||||
|
||||
case default
|
||||
call IO_error(0,ext_msg='config_deallocate')
|
||||
!$ integer :: gotDAMASK_NUM_THREADS = 1
|
||||
integer :: ierr
|
||||
character(len=:), allocatable :: &
|
||||
numerics_inFlow
|
||||
logical :: fexist
|
||||
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
||||
|
||||
end select
|
||||
#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
|
||||
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
|
@ -287,7 +329,6 @@ module constitutive
|
|||
|
||||
end interface constitutive_LpAndItsTangents
|
||||
|
||||
|
||||
interface constitutive_dependentState
|
||||
|
||||
module subroutine constitutive_plastic_dependentState(F, Fp, ipc, ip, el)
|
||||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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))
|
||||
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
class(tNode), pointer :: &
|
||||
phases, &
|
||||
phase, &
|
||||
pl
|
||||
|
||||
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONLOCAL_LABEL//' init -+>>>'
|
||||
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
|
||||
|
||||
|
|
@ -384,9 +406,9 @@ 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')
|
||||
|
||||
|
|
@ -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)
|
||||
i = 0
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
|
||||
if(.not. myPlasticity(p)) cycle
|
||||
i = i + 1
|
||||
|
||||
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
|
||||
do s = 1,param(i)%sum_N_sl
|
||||
l = l + 1
|
||||
iRhoU(s,t,phase_plasticityInstance(p)) = l
|
||||
iRhoU(s,t,i) = l
|
||||
enddo
|
||||
enddo
|
||||
l = l + (4+2+1+1)*param(phase_plasticityInstance(p))%sum_N_sl ! immobile(4), dipole(2), shear, forest
|
||||
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(phase_plasticityInstance(p))%sum_N_sl
|
||||
do s = 1,param(i)%sum_N_sl
|
||||
l = l + 1
|
||||
iV(s,t,phase_plasticityInstance(p)) = l
|
||||
iV(s,t,i) = l
|
||||
enddo
|
||||
enddo
|
||||
do t = 1,2
|
||||
do s = 1,param(phase_plasticityInstance(p))%sum_N_sl
|
||||
do s = 1,param(i)%sum_N_sl
|
||||
l = l + 1
|
||||
iD(s,t,phase_plasticityInstance(p)) = l
|
||||
iD(s,t,i) = 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
|
||||
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 subroutine plastic_nonlocal_init
|
||||
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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -5,21 +5,27 @@ 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, &
|
||||
|
|
|
|||
|
|
@ -14,7 +14,6 @@ module crystallite
|
|||
use HDF5_utilities
|
||||
use DAMASK_interface
|
||||
use config
|
||||
use debug
|
||||
use rotations
|
||||
use math
|
||||
use FEsolving
|
||||
|
|
@ -143,7 +142,10 @@ subroutine crystallite_init
|
|||
|
||||
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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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)
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -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
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
@ -210,7 +210,7 @@ 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 = ',&
|
||||
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)
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
|
|
@ -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
|
||||
|
|
|
|||
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue