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Merge remote-tracking branch 'origin/output-rename' into internal-restructure

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Sharan Roongta 2021-03-16 12:47:59 +01:00
parent 65cd945aea fb70d9bded
commit c43da86067
44 changed files with 1431 additions and 1367 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 13dfa0ee9d702782f0b7999f3f7fb2384f58d768
Subproject commit 5d3acdd8a2c836308c1e467cb1b4a5e768b53cf9

6
examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml
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@ -1,8 +1,8 @@
TWIP_Steel_FeMnC:
lattice: cF
mechanics:
elasticity: {type: hooke, C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9}
plasticity:
mechanical:
elastic: {type: hooke, C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9}
plastic:
type: dislotwin
output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr]
D: 2.0e-5

6
examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml
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@ -1,8 +1,8 @@
Tungsten:
lattice: cI
mechanics:
elasticity: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013)
plasticity:
mechanical:
elastic: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013)
plastic:
type: dislotwin
D: 2.0e-5 # Average grain size / m
N_sl: [12]

6
examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.yaml
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@ -1,10 +1,10 @@
# Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079
Aluminum:
lattice: aP
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p]
elasticity: {type: hooke, C_11: 110.9e9, C_12: 58.34e9}
plasticity:
elastic: {type: hooke, C_11: 110.9e9, C_12: 58.34e9}
plastic:
type: isotropic
output: [xi]
xi_0: 31e6

6
examples/ConfigFiles/Phase_Isotropic_FreeSurface.yaml
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@ -1,9 +1,9 @@
Air:
lattice: aP
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p]
elasticity: {type: hooke, C_11: 1e8, C_12: 1e6}
plasticity:
elastic: {type: hooke, C_11: 1e8, C_12: 1e6}
plastic:
type: isotropic
output: [xi]
xi_0: 0.3e6

6
examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml
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@ -1,9 +1,9 @@
Aluminum:
lattice: cF
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plastic:
N_sl: [12]
a_sl: 2.25
dot_gamma_0_sl: 0.001

6
examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml
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@ -3,9 +3,9 @@
# Diehl et.al. 2015 Meccanica
Ferrite:
lattice: cI
mechanics:
elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke}
plasticity:
mechanical:
elastic: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke}
plastic:
N_sl: [12, 12]
a_sl: 2.0
dot_gamma_0_sl: 0.001

6
examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml
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@ -3,9 +3,9 @@
# Diehl et.al. 2015 Meccanica
Martensite:
lattice: cI
mechanics:
elasticity: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke}
plasticity:
mechanical:
elastic: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke}
plastic:
N_sl: [12, 12]
a_sl: 2.0
dot_gamma_0_sl: 0.001

6
examples/ConfigFiles/Phase_Phenopowerlaw_Gold.yaml
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@ -5,10 +5,10 @@
Gold:
lattice: cF
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {type: hooke, C_11: 191e9, C_12: 162e9, C_44: 42.2e9}
plasticity:
elastic: {type: hooke, C_11: 191e9, C_12: 162e9, C_44: 42.2e9}
plastic:
type: phenopowerlaw
output: [xi_sl]
N_sl: [12]

6
examples/ConfigFiles/Phase_Phenopowerlaw_Magnesium.yaml
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@ -2,10 +2,10 @@
Magnesium:
lattice: hP
c/a: 1.62350
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: hooke}
plasticity:
elastic: {C_11: 59.3e9, C_12: 25.7e9, C_13: 21.4e9, C_33: 61.5e9, C_44: 16.4e9, type: hooke}
plastic:
N_sl: [3, 3, 0, 6, 0, 6]
N_tw: [6, 0, 0, 6]
h_0_tw_tw: 50.0e6

8
examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.yaml
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@ -4,11 +4,11 @@
cpTi:
lattice: hP
c/a: 1.587
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke}
plasticity:
N_sl: [3, 3, 0, 6, 12]
elastic: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke}
plastic:
N_sl: [3, 3, 0, 0, 12]
a_sl: 2.0
dot_gamma_0_sl: 0.001
h_0_sl_sl: 200e6

8
examples/grid/material.yaml
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@ -2,7 +2,7 @@
homogenization:
SX:
N_constituents: 1
mechanics: {type: pass}
mechanical: {type: pass}
material:
- homogenization: SX
@ -109,10 +109,10 @@ material:
phase:
Aluminum:
lattice: cF
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plastic:
N_sl: [12]
a_sl: 2.25
atol_xi: 1.0

6
processing/post/DADF5_postResults.py
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@ -35,10 +35,10 @@ for filename in options.filenames:
if not results.structured: continue
coords = damask.grid_filters.coordinates0_point(results.cells,results.size,results.origin).reshape(-1,3,order='F')
N_digits = int(np.floor(np.log10(int(results.increments[-1][3:]))))+1
N_digits = int(np.floor(np.log10(int(results.increments[-1][10:]))))+1
N_digits = 5 # hack to keep test intact
for inc in damask.util.show_progress(results.iterate('increments'),len(results.increments)):
table = damask.Table(np.ones(np.product(results.cells),dtype=int)*int(inc[3:]),{'inc':(1,)})\
table = damask.Table(np.ones(np.product(results.cells),dtype=int)*int(inc[10:]),{'inc':(1,)})\
.add('pos',coords.reshape(-1,3))
results.view('homogenizations',False)
@ -59,5 +59,5 @@ for filename in options.filenames:
if not os.path.isdir(dirname):
os.mkdir(dirname,0o755)
file_out = '{}_inc{}.txt'.format(os.path.splitext(os.path.split(filename)[-1])[0],
inc[3:].zfill(N_digits))
inc[10:].zfill(N_digits))
table.save(os.path.join(dirname,file_out),legacy=True)

11
python/damask/_config.py
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@ -6,6 +6,9 @@ import abc
import numpy as np
import yaml
from . import Rotation
from . import Orientation
class NiceDumper(yaml.SafeDumper):
"""Make YAML readable for humans."""
@ -20,8 +23,12 @@ class NiceDumper(yaml.SafeDumper):
def represent_data(self, data):
"""Cast Config objects and its subclasses to dict."""
return self.represent_data(dict(data)) if isinstance(data, dict) and type(data) != dict else \
super().represent_data(data)
if isinstance(data, dict) and type(data) != dict:
return self.represent_data(dict(data))
if isinstance(data, (Rotation, Orientation)):
return self.represent_data(data.as_quaternion())
else:
return super().represent_data(data)
def ignore_aliases(self, data):
"""No references."""

232
python/damask/_result.py
View File

@ -46,7 +46,7 @@ class Result:
self.version_major = f.attrs['DADF5_version_major']
self.version_minor = f.attrs['DADF5_version_minor']
if self.version_major != 0 or not 7 <= self.version_minor <= 11:
if self.version_major != 0 or not 7 <= self.version_minor <= 12:
raise TypeError(f'Unsupported DADF5 version {self.version_major}.{self.version_minor}')
self.structured = 'grid' in f['geometry'].attrs.keys() or \
@ -60,15 +60,18 @@ class Result:
self.size = f['geometry'].attrs['size']
self.origin = f['geometry'].attrs['origin']
r=re.compile('inc[0-9]+')
increments_unsorted = {int(i[3:]):i for i in f.keys() if r.match(i)}
r=re.compile('inc[0-9]+' if self.version_minor < 12 else 'increment_[0-9]+')
increments_unsorted = {int(i[10:]):i for i in f.keys() if r.match(i)}
self.increments = [increments_unsorted[i] for i in sorted(increments_unsorted)]
self.times = [round(f[i].attrs['time/s'],12) for i in self.increments]
self.times = [round(f[i].attrs['time/s'],12) for i in self.increments] if self.version_minor < 12 else \
[round(f[i].attrs['t/s'],12) for i in self.increments]
self.N_materialpoints, self.N_constituents = np.shape(f['mapping/phase'])
self.homogenizations = [m.decode() for m in np.unique(f['mapping/homogenization']['Name'])]
self.phases = [c.decode() for c in np.unique(f['mapping/phase']['Name'])]
self.homogenizations = [m.decode() for m in np.unique(f['mapping/homogenization']
['Name' if self.version_minor < 12 else 'name'])]
self.phases = [c.decode() for c in np.unique(f['mapping/phase']
['Name' if self.version_minor < 12 else 'name'])]
self.out_type_ph = []
for c in self.phases:
@ -137,9 +140,10 @@ class Result:
choice = datasets if hasattr(datasets,'__iter__') and not isinstance(datasets,str) else \
[datasets]
inc = 'inc' if self.version_minor < 12 else 'increment_' # compatibility hack
if what == 'increments':
choice = [c if isinstance(c,str) and c.startswith('inc') else
f'inc{c}' for c in choice]
choice = [c if isinstance(c,str) and c.startswith(inc) else
f'{inc}{c}' for c in choice]
elif what == 'times':
what = 'increments'
if choice == ['*']:
@ -204,7 +208,7 @@ class Result:
self._allow_modification = False
def incs_in_range(self,start,end):
def increments_in_range(self,start,end):
"""
Select all increments within a given range.
@ -216,9 +220,11 @@ class Result:
End increment.
"""
# compatibility hack
ln = 3 if self.version_minor < 12 else 10
selected = []
for i,inc in enumerate([int(i[3:]) for i in self.increments]):
s,e = map(lambda x: int(x[3:] if isinstance(x,str) and x.startswith('inc') else x), (start,end))
for i,inc in enumerate([int(i[ln:]) for i in self.increments]):
s,e = map(lambda x: int(x[ln:] if isinstance(x,str) and x.startswith('inc') else x), (start,end))
if s <= inc <= e:
selected.append(self.increments[i])
return selected
@ -368,6 +374,9 @@ class Result:
tbl = {} if split else None
inGeom = {}
inData = {}
# compatibility hack
name = 'Name' if self.version_minor < 12 else 'name'
member = 'Position' if self.version_minor < 12 else 'member'
with h5py.File(self.fname,'r') as f:
for dataset in sets:
for group in self.groups_with_datasets(dataset):
@ -378,11 +387,11 @@ class Result:
if prop == 'geometry':
inGeom[key] = inData[key] = np.arange(self.N_materialpoints)
elif prop == 'phase':
inGeom[key] = np.where(f['mapping/phase'][:,constituent]['Name'] == str.encode(name))[0]
inData[key] = f['mapping/phase'][inGeom[key],constituent]['Position']
inGeom[key] = np.where(f['mapping/phase'][:,constituent][name] == str.encode(name))[0]
inData[key] = f['mapping/phase'][inGeom[key],constituent][member]
elif prop == 'homogenization':
inGeom[key] = np.where(f['mapping/homogenization']['Name'] == str.encode(name))[0]
inData[key] = f['mapping/homogenization'][inGeom[key].tolist()]['Position']
inGeom[key] = np.where(f['mapping/homogenization'][name] == str.encode(name))[0]
inData[key] = f['mapping/homogenization'][inGeom[key].tolist()][member]
shape = np.shape(f[path])
data = np.full((self.N_materialpoints,) + (shape[1:] if len(shape)>1 else (1,)),
np.nan,
@ -456,6 +465,9 @@ class Result:
def list_data(self):
"""Return information on all active datasets in the file."""
# compatibility hack
de = 'Description' if self.version_minor < 12 else 'description'
un = 'Unit' if self.version_minor < 12 else 'unit'
message = ''
with h5py.File(self.fname,'r') as f:
for i in self.iterate('increments'):
@ -470,13 +482,13 @@ class Result:
for d in f[group].keys():
try:
dataset = f['/'.join([group,d])]
if 'Unit' in dataset.attrs:
unit = f" / {dataset.attrs['Unit']}" if h5py3 else \
f" / {dataset.attrs['Unit'].decode()}"
if un in dataset.attrs:
unit = f" / {dataset.attrs[un]}" if h5py3 else \
f" / {dataset.attrs[un].decode()}"
else:
unit = ''
description = dataset.attrs['Description'] if h5py3 else \
dataset.attrs['Description'].decode()
description = dataset.attrs[de] if h5py3 else \
dataset.attrs[de].decode()
message += f' {d}{unit}: {description}\n'
except KeyError:
pass
@ -529,6 +541,9 @@ class Result:
Defaults to False.
"""
# compatibility hack
name = 'Name' if self.version_minor < 12 else 'name'
member = 'Position' if self.version_minor < 12 else 'member'
with h5py.File(self.fname,'r') as f:
shape = (self.N_materialpoints,) + np.shape(f[path[0]])[1:]
if len(shape) == 1: shape = shape +(1,)
@ -540,17 +555,17 @@ class Result:
dataset = np.array(f[pa])
continue
p = np.where(f['mapping/phase'][:,c]['Name'] == str.encode(label))[0]
p = np.where(f['mapping/phase'][:,c][name] == str.encode(label))[0]
if len(p)>0:
u = (f['mapping/phase']['Position'][p,c])
u = (f['mapping/phase'][member][p,c])
a = np.array(f[pa])
if len(a.shape) == 1:
a=a.reshape([a.shape[0],1])
dataset[p,:] = a[u,:]
p = np.where(f['mapping/homogenization']['Name'] == str.encode(label))[0]
p = np.where(f['mapping/homogenization'][name] == str.encode(label))[0]
if len(p)>0:
u = (f['mapping/homogenization']['Position'][p.tolist()])
u = (f['mapping/homogenization'][member][p.tolist()])
a = np.array(f[pa])
if len(a.shape) == 1:
a=a.reshape([a.shape[0],1])
@ -586,9 +601,9 @@ class Result:
'data': np.abs(x['data']),
'label': f'|{x["label"]}|',
'meta': {
'Unit': x['meta']['Unit'],
'Description': f"Absolute value of {x['label']} ({x['meta']['Description']})",
'Creator': 'add_absolute'
'unit': x['meta']['unit'],
'description': f"absolute value of {x['label']} ({x['meta']['description']})",
'creator': 'add_absolute'
}
}
def add_absolute(self,x):
@ -614,9 +629,9 @@ class Result:
'data': eval(formula),
'label': kwargs['label'],
'meta': {
'Unit': kwargs['unit'],
'Description': f"{kwargs['description']} (formula: {kwargs['formula']})",
'Creator': 'add_calculation'
'unit': kwargs['unit'],
'description': f"{kwargs['description']} (formula: {kwargs['formula']})",
'creator': 'add_calculation'
}
}
def add_calculation(self,label,formula,unit='n/a',description=None):
@ -646,11 +661,11 @@ class Result:
'data': mechanics.stress_Cauchy(P['data'],F['data']),
'label': 'sigma',
'meta': {
'Unit': P['meta']['Unit'],
'Description': "Cauchy stress calculated "
f"from {P['label']} ({P['meta']['Description']})"
f" and {F['label']} ({F['meta']['Description']})",
'Creator': 'add_stress_Cauchy'
'unit': P['meta']['unit'],
'description': "Cauchy stress calculated "
f"from {P['label']} ({P['meta']['description']})"
f" and {F['label']} ({F['meta']['description']})",
'creator': 'add_stress_Cauchy'
}
}
def add_stress_Cauchy(self,P='P',F='F'):
@ -674,9 +689,9 @@ class Result:
'data': np.linalg.det(T['data']),
'label': f"det({T['label']})",
'meta': {
'Unit': T['meta']['Unit'],
'Description': f"Determinant of tensor {T['label']} ({T['meta']['Description']})",
'Creator': 'add_determinant'
'unit': T['meta']['unit'],
'description': f"determinant of tensor {T['label']} ({T['meta']['description']})",
'creator': 'add_determinant'
}
}
def add_determinant(self,T):
@ -698,9 +713,9 @@ class Result:
'data': tensor.deviatoric(T['data']),
'label': f"s_{T['label']}",
'meta': {
'Unit': T['meta']['Unit'],
'Description': f"Deviator of tensor {T['label']} ({T['meta']['Description']})",
'Creator': 'add_deviator'
'unit': T['meta']['unit'],
'description': f"deviator of tensor {T['label']} ({T['meta']['description']})",
'creator': 'add_deviator'
}
}
def add_deviator(self,T):
@ -719,19 +734,19 @@ class Result:
@staticmethod
def _add_eigenvalue(T_sym,eigenvalue):
if eigenvalue == 'max':
label,p = 'Maximum',2
label,p = 'maximum',2
elif eigenvalue == 'mid':
label,p = 'Intermediate',1
label,p = 'intermediate',1
elif eigenvalue == 'min':
label,p = 'Minimum',0
label,p = 'minimum',0
return {
'data': tensor.eigenvalues(T_sym['data'])[:,p],
'label': f"lambda_{eigenvalue}({T_sym['label']})",
'meta' : {
'Unit': T_sym['meta']['Unit'],
'Description': f"{label} eigenvalue of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': 'add_eigenvalue'
'unit': T_sym['meta']['unit'],
'description': f"{label} eigenvalue of {T_sym['label']} ({T_sym['meta']['description']})",
'creator': 'add_eigenvalue'
}
}
def add_eigenvalue(self,T_sym,eigenvalue='max'):
@ -761,10 +776,10 @@ class Result:
'data': tensor.eigenvectors(T_sym['data'])[:,p],
'label': f"v_{eigenvalue}({T_sym['label']})",
'meta' : {
'Unit': '1',
'Description': f"Eigenvector corresponding to {label} eigenvalue"
f" of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': 'add_eigenvector'
'unit': '1',
'description': f"eigenvector corresponding to {label} eigenvalue"
f" of {T_sym['label']} ({T_sym['meta']['description']})",
'creator': 'add_eigenvector'
}
}
def add_eigenvector(self,T_sym,eigenvalue='max'):
@ -787,9 +802,9 @@ class Result:
def _add_IPF_color(l,q):
m = util.scale_to_coprime(np.array(l))
try:
lattice = {'fcc':'cF','bcc':'cI','hex':'hP'}[q['meta']['Lattice']]
lattice = {'fcc':'cF','bcc':'cI','hex':'hP'}[q['meta']['lattice']]
except KeyError:
lattice = q['meta']['Lattice']
lattice = q['meta']['lattice']
try:
o = Orientation(rotation = (rfn.structured_to_unstructured(q['data'])),lattice=lattice)
except ValueError:
@ -799,10 +814,10 @@ class Result:
'data': np.uint8(o.IPF_color(l)*255),
'label': 'IPFcolor_[{} {} {}]'.format(*m),
'meta' : {
'Unit': '8-bit RGB',
'Lattice': q['meta']['Lattice'],
'Description': 'Inverse Pole Figure (IPF) colors along sample direction [{} {} {}]'.format(*m),
'Creator': 'add_IPF_color'
'unit': '8-bit RGB',
'lattice': q['meta']['lattice'],
'description': 'Inverse Pole Figure (IPF) colors along sample direction [{} {} {}]'.format(*m),
'creator': 'add_IPF_color'
}
}
def add_IPF_color(self,l,q='O'):
@ -827,9 +842,9 @@ class Result:
'data': mechanics.maximum_shear(T_sym['data']),
'label': f"max_shear({T_sym['label']})",
'meta': {
'Unit': T_sym['meta']['Unit'],
'Description': f"Maximum shear component of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': 'add_maximum_shear'
'unit': T_sym['meta']['unit'],
'description': f"maximum shear component of {T_sym['label']} ({T_sym['meta']['description']})",
'creator': 'add_maximum_shear'
}
}
def add_maximum_shear(self,T_sym):
@ -849,9 +864,9 @@ class Result:
def _add_equivalent_Mises(T_sym,kind):
k = kind
if k is None:
if T_sym['meta']['Unit'] == '1':
if T_sym['meta']['unit'] == '1':
k = 'strain'
elif T_sym['meta']['Unit'] == 'Pa':
elif T_sym['meta']['unit'] == 'Pa':
k = 'stress'
if k not in ['stress', 'strain']:
raise ValueError('invalid von Mises kind {kind}')
@ -861,9 +876,9 @@ class Result:
mechanics.equivalent_stress_Mises)(T_sym['data']),
'label': f"{T_sym['label']}_vM",
'meta': {
'Unit': T_sym['meta']['Unit'],
'Description': f"Mises equivalent {k} of {T_sym['label']} ({T_sym['meta']['Description']})",
'Creator': 'add_Mises'
'unit': T_sym['meta']['unit'],
'description': f"Mises equivalent {k} of {T_sym['label']} ({T_sym['meta']['description']})",
'creator': 'add_Mises'
}
}
def add_equivalent_Mises(self,T_sym,kind=None):
@ -900,9 +915,9 @@ class Result:
'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
'label': f"|{x['label']}|_{o}",
'meta': {
'Unit': x['meta']['Unit'],
'Description': f"{o}-norm of {t} {x['label']} ({x['meta']['Description']})",
'Creator': 'add_norm'
'unit': x['meta']['unit'],
'description': f"{o}-norm of {t} {x['label']} ({x['meta']['description']})",
'creator': 'add_norm'
}
}
def add_norm(self,x,ord=None):
@ -926,11 +941,11 @@ class Result:
'data': mechanics.stress_second_Piola_Kirchhoff(P['data'],F['data']),
'label': 'S',
'meta': {
'Unit': P['meta']['Unit'],
'Description': "2. Piola-Kirchhoff stress calculated "
f"from {P['label']} ({P['meta']['Description']})"
f" and {F['label']} ({F['meta']['Description']})",
'Creator': 'add_stress_second_Piola_Kirchhoff'
'unit': P['meta']['unit'],
'description': "second Piola-Kirchhoff stress calculated "
f"from {P['label']} ({P['meta']['description']})"
f" and {F['label']} ({F['meta']['description']})",
'creator': 'add_stress_second_Piola_Kirchhoff'
}
}
def add_stress_second_Piola_Kirchhoff(self,P='P',F='F'):
@ -968,10 +983,10 @@ class Result:
# 'data': coords,
# 'label': 'p^{}_[{} {} {})'.format(u'rφ' if polar else 'xy',*m),
# 'meta' : {
# 'Unit': '1',
# 'Description': '{} coordinates of stereographic projection of pole (direction/plane) in crystal frame'\
# 'unit': '1',
# 'description': '{} coordinates of stereographic projection of pole (direction/plane) in crystal frame'\
# .format('Polar' if polar else 'Cartesian'),
# 'Creator': 'add_pole'
# 'creator': 'add_pole'
# }
# }
# def add_pole(self,q,p,polar=False):
@ -997,9 +1012,9 @@ class Result:
'data': mechanics.rotation(F['data']).as_matrix(),
'label': f"R({F['label']})",
'meta': {
'Unit': F['meta']['Unit'],
'Description': f"Rotational part of {F['label']} ({F['meta']['Description']})",
'Creator': 'add_rotation'
'unit': F['meta']['unit'],
'description': f"rotational part of {F['label']} ({F['meta']['description']})",
'creator': 'add_rotation'
}
}
def add_rotation(self,F):
@ -1021,9 +1036,9 @@ class Result:
'data': tensor.spherical(T['data'],False),
'label': f"p_{T['label']}",
'meta': {
'Unit': T['meta']['Unit'],
'Description': f"Spherical component of tensor {T['label']} ({T['meta']['Description']})",
'Creator': 'add_spherical'
'unit': T['meta']['unit'],
'description': f"spherical component of tensor {T['label']} ({T['meta']['description']})",
'creator': 'add_spherical'
}
}
def add_spherical(self,T):
@ -1045,9 +1060,9 @@ class Result:
'data': mechanics.strain(F['data'],t,m),
'label': f"epsilon_{t}^{m}({F['label']})",
'meta': {
'Unit': F['meta']['Unit'],
'Description': f"Strain tensor of {F['label']} ({F['meta']['Description']})",
'Creator': 'add_strain'
'unit': F['meta']['unit'],
'description': f"strain tensor of {F['label']} ({F['meta']['description']})",
'creator': 'add_strain'
}
}
def add_strain(self,F='F',t='V',m=0.0):
@ -1076,10 +1091,10 @@ class Result:
'data': (mechanics.stretch_left if t.upper() == 'V' else mechanics.stretch_right)(F['data']),
'label': f"{t}({F['label']})",
'meta': {
'Unit': F['meta']['Unit'],
'Description': '{} stretch tensor of {} ({})'.format('Left' if t.upper() == 'V' else 'Right',
F['label'],F['meta']['Description']),
'Creator': 'add_stretch_tensor'
'unit': F['meta']['unit'],
'description': '{} stretch tensor of {} ({})'.format('left' if t.upper() == 'V' else 'right',
F['label'],F['meta']['description']),
'creator': 'add_stretch_tensor'
}
}
def add_stretch_tensor(self,F='F',t='V'):
@ -1153,8 +1168,7 @@ class Result:
if self._allow_modification and result[0]+'/'+result[1]['label'] in f:
dataset = f[result[0]+'/'+result[1]['label']]
dataset[...] = result[1]['data']
dataset.attrs['Overwritten'] = 'Yes' if h5py3 else \
'Yes'.encode()
dataset.attrs['overwritten'] = True
else:
if result[1]['data'].size >= chunk_size*2:
shape = result[1]['data'].shape
@ -1167,14 +1181,14 @@ class Result:
dataset = f[result[0]].create_dataset(result[1]['label'],data=result[1]['data'])
now = datetime.datetime.now().astimezone()
dataset.attrs['Created'] = now.strftime('%Y-%m-%d %H:%M:%S%z') if h5py3 else \
dataset.attrs['created'] = now.strftime('%Y-%m-%d %H:%M:%S%z') if h5py3 else \
now.strftime('%Y-%m-%d %H:%M:%S%z').encode()
for l,v in result[1]['meta'].items():
dataset.attrs[l]=v if h5py3 else v.encode()
creator = dataset.attrs['Creator'] if h5py3 else \
dataset.attrs['Creator'].decode()
dataset.attrs['Creator'] = f"damask.Result.{creator} v{damask.version}" if h5py3 else \
dataset.attrs[l.lower()]=v if h5py3 else v.encode()
creator = dataset.attrs['creator'] if h5py3 else \
dataset.attrs['creator'].decode()
dataset.attrs['creator'] = f"damask.Result.{creator} v{damask.version}" if h5py3 else \
f"damask.Result.{creator} v{damask.version}".encode()
except (OSError,RuntimeError) as err:
@ -1192,6 +1206,8 @@ class Result:
The view is not taken into account, i.e. the content of the
whole file will be included.
"""
# compatibility hack
u = 'Unit' if self.version_minor < 12 else 'unit'
if self.N_constituents != 1 or len(self.phases) != 1 or not self.structured:
raise TypeError('XDMF output requires homogeneous grid')
@ -1273,7 +1289,7 @@ class Result:
dtype = f[name].dtype
if dtype not in np.sctypes['int']+np.sctypes['uint']+np.sctypes['float']: continue
unit = f[name].attrs['Unit'] if h5py3 else f[name].attrs['Unit'].decode()
unit = f[name].attrs[u] if h5py3 else f[name].attrs[u].decode()
attributes.append(ET.SubElement(grid, 'Attribute'))
attributes[-1].attrib={'Name': name.split('/',2)[2]+f' / {unit}',
@ -1317,7 +1333,10 @@ class Result:
elif mode.lower()=='point':
v = VTK.from_poly_data(self.coordinates0_point)
N_digits = int(np.floor(np.log10(max(1,int(self.increments[-1][3:])))))+1
# compatibility hack
ln = 3 if self.version_minor < 12 else 10
N_digits = int(np.floor(np.log10(max(1,int(self.increments[-1][ln:])))))+1
for inc in util.show_progress(self.iterate('increments'),len(self.visible['increments'])):
@ -1327,21 +1346,24 @@ class Result:
for o in self.iterate('out_type_ph'):
for c in range(self.N_constituents):
prefix = '' if self.N_constituents == 1 else f'constituent{c}/'
if o != 'mechanics':
if o not in ['mechanics', 'mechanical']: # compatitbility hack
for _ in self.iterate('phases'):
path = self.get_dataset_location(label)
if len(path) == 0:
continue
array = self.read_dataset(path,c)
v.add(array,prefix+path[0].split('/',1)[1]+f' / {self._get_attribute(path[0],"Unit")}')
v.add(array,prefix+path[0].split('/',1)[1]+f' / {self._get_attribute(path[0],"unit")}')
else:
paths = self.get_dataset_location(label)
if len(paths) == 0:
continue
array = self.read_dataset(paths,c)
ph_name = re.compile(r'(?<=(phase\/))(.*?)(?=(mechanics))') # identify phase name
dset_name = prefix+re.sub(ph_name,r'',paths[0].split('/',1)[1]) # remove phase name
v.add(array,dset_name+f' / {self._get_attribute(paths[0],"Unit")}')
if self.version_minor < 12:
ph_name = re.compile(r'(?<=(phase\/))(.*?)(?=(mechanics))') # identify phase name
else:
ph_name = re.compile(r'(?<=(phase\/))(.*?)(?=(mechanical))') # identify phase name
dset_name = prefix+re.sub(ph_name,r'',paths[0].split('/',1)[1]) # remove phase name
v.add(array,dset_name+f' / {self._get_attribute(paths[0],"unit")}')
self.view('homogenizations',viewed_backup_ho)
viewed_backup_ph = self.visible['phases'].copy()
@ -1352,10 +1374,10 @@ class Result:
if len(paths) == 0:
continue
array = self.read_dataset(paths)
v.add(array,paths[0].split('/',1)[1]+f' / {self._get_attribute(paths[0],"Unit")}')
v.add(array,paths[0].split('/',1)[1]+f' / {self._get_attribute(paths[0],"unit")}')
self.view('phases',viewed_backup_ph)
u = self.read_dataset(self.get_dataset_location('u_n' if mode.lower() == 'cell' else 'u_p'))
v.add(u,'u')
v.save(f'{self.fname.stem}_inc{inc[3:].zfill(N_digits)}')
v.save(f'{self.fname.stem}_inc{inc[ln:].zfill(N_digits)}')

38
python/tests/reference/Result/12grains6x7x8_tensionY.yaml → python/tests/reference/Result/12grains6x7x8.material.yaml
View File

@ -2,15 +2,15 @@
homogenization:
SX:
N_constituents: 1
mechanics: {type: none}
mechanical: {type: pass}
phase:
pheno_fcc:
lattice: cF
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plastic:
N_sl: [12]
a_sl: 2.25
atol_xi: 1.0
@ -24,10 +24,10 @@ phase:
xi_inf_sl: [63e6]
pheno_bcc:
lattice: cI
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plastic:
N_sl: [12]
a_sl: 2.25
atol_xi: 1.0
@ -42,62 +42,62 @@ phase:
material:
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8229200444892315, 0.5284940239127993, -0.11958598847729246, 0.17086795611292308]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.029934934533052786, -0.0463822071939717, 0.9983440440417412, 0.01617900728410769]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.5285808688806949, 0.7326575088838098, 0.4051997815944012, 0.1401013087924221]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.1839974517790312, 0.49550065903084944, -0.1541415483910751, -0.8347840545305227]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8055693100147384, -0.22778497057116814, -0.028331746016454287, 0.5462320075864553]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8025842700117737, -0.33640019337884963, -0.3847408071640489, 0.3076815085881779]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.6048933483394416, 0.7565005822419409, -0.08545681892422426, -0.2334695661144201]
phase: pheno_bcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.2012339360745425, -0.3580127491130033, -0.7798091137625135, 0.47247171400774884]
phase: pheno_bcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.7949688202267222, 0.3623793306926909, -0.18836147613310203, -0.4485819321629098]
phase: pheno_bcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.19733162113429173, -0.06559103894055797, -0.40230149937129567, 0.8915781236183501]
phase: pheno_bcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8659916384140512, -0.2761459420825848, 0.38479354764225004, -0.1604238964779258]
phase: pheno_bcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.5951846978175659, 0.4476701545571293, -0.6038886363266418, -0.2840160613735736]
phase: pheno_bcc
homogenization: SX

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python/tests/reference/Result/12grains6x7x8_tensionY.hdf5
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20
python/tests/reference/Result/6grains6x7x8_single_phase_tensionY.yaml → python/tests/reference/Result/6grains6x7x8_single_phase.material.yaml
View File

@ -2,15 +2,15 @@
homogenization:
SX:
N_constituents: 1
mechanics: {type: none}
mechanical: {type: pass}
phase:
pheno_fcc:
lattice: cF
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity:
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plastic:
N_sl: [12]
a_sl: 2.25
atol_xi: 1.0
@ -25,32 +25,32 @@ phase:
material:
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8229200444892315, 0.5284940239127993, -0.11958598847729246, 0.17086795611292308]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.029934934533052786, -0.0463822071939717, 0.9983440440417412, 0.01617900728410769]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.5285808688806949, 0.7326575088838098, 0.4051997815944012, 0.1401013087924221]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.1839974517790312, 0.49550065903084944, -0.1541415483910751, -0.8347840545305227]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8055693100147384, -0.22778497057116814, -0.028331746016454287, 0.5462320075864553]
phase: pheno_fcc
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.8025842700117737, -0.33640019337884963, -0.3847408071640489, 0.3076815085881779]
phase: pheno_fcc
homogenization: SX

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python/tests/reference/Result/6grains6x7x8_single_phase_tensionY.hdf5
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2101
python/tests/reference/Result/6grains6x7x8_single_phase_tensionY.xdmf
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23
python/tests/reference/Result/tensionY.yaml
View File

@ -1,14 +1,17 @@
---
solver:
mechanical: spectral_basic
step:
- discretization:
loadstep:
- boundary_conditions:
mechanical:
dot_F: [x, 0, 0,
0, 1.0e-3, 0,
0, 0, x]
P: [0, x, x,
x, x, x,
x, x, 0]
discretization:
t: 20
N: 40
f_out: 4
mechanics:
dot_F: [x, 0, 0,
0, 1.0e-3, 0,
0, 0, x]
P: [0, x, x,
x, x, x,
x, x, 0]
f_out: 4

6
python/tests/test_Config.py
View File

@ -2,6 +2,8 @@ import pytest
import numpy as np
from damask import Config
from damask import Rotation
from damask import Orientation
class TestConfig:
@ -51,3 +53,7 @@ class TestConfig:
def test_abstract_is_complete(self):
assert Config().is_complete is None
@pytest.mark.parametrize('data',[Rotation.from_random(),Orientation.from_random()])
def test_rotation_orientation(self,data):
assert str(Config(a=data)) == str(Config(a=data.as_quaternion()))

12
python/tests/test_Result.py
View File

@ -48,7 +48,7 @@ class TestResult:
a = default.get_dataset_location('F')
default.view('increments','*')
b = default.get_dataset_location('F')
default.view('increments',default.incs_in_range(0,np.iinfo(int).max))
default.view('increments',default.increments_in_range(0,np.iinfo(int).max))
c = default.get_dataset_location('F')
default.view('times',True)
@ -173,7 +173,7 @@ class TestResult:
loc = {'O': default.get_dataset_location('O'),
'color': default.get_dataset_location('IPFcolor_[{} {} {}]'.format(*d))}
qu = default.read_dataset(loc['O']).view(np.double).squeeze()
crystal_structure = default._get_attribute(default.get_dataset_location('O')[0],'Lattice')
crystal_structure = default._get_attribute(default.get_dataset_location('O')[0],'lattice')
c = Orientation(rotation=qu,lattice=crystal_structure)
in_memory = np.uint8(c.IPF_color(np.array(d))*255)
in_file = default.read_dataset(loc['color'])
@ -314,9 +314,9 @@ class TestResult:
with h5py.File(default.fname,'r') as f:
# h5py3 compatibility
try:
created_first = f[loc[0]].attrs['Created'].decode()
created_first = f[loc[0]].attrs['created'].decode()
except AttributeError:
created_first = f[loc[0]].attrs['Created']
created_first = f[loc[0]].attrs['created']
created_first = datetime.strptime(created_first,'%Y-%m-%d %H:%M:%S%z')
if overwrite == 'on':
@ -332,9 +332,9 @@ class TestResult:
with h5py.File(default.fname,'r') as f:
# h5py3 compatibility
try:
created_second = f[loc[0]].attrs['Created'].decode()
created_second = f[loc[0]].attrs['created'].decode()
except AttributeError:
created_second = f[loc[0]].attrs['Created']
created_second = f[loc[0]].attrs['created']
created_second = datetime.strptime(created_second,'%Y-%m-%d %H:%M:%S%z')
if overwrite == 'on':
assert created_first < created_second and np.allclose(default.read_dataset(loc),311.)

3
src/grid/DAMASK_grid.f90
View File

@ -104,7 +104,6 @@ program DAMASK_grid
load_step, &
solver, &
initial_conditions, &
ic_thermal, &
thermal, &
step_bc, &
step_mech, &
@ -310,7 +309,7 @@ program DAMASK_grid
case(FIELD_THERMAL_ID)
initial_conditions => config_load%get('initial_conditions',defaultVal=emptyDict)
thermal => initial_conditions%get('thermal',defaultVal=emptyDict)
thermal => initial_conditions%get('thermal',defaultVal=emptyDict)
call grid_thermal_spectral_init(thermal%get_asFloat('T',defaultVal = T_0))
case(FIELD_DAMAGE_ID)

10
src/homogenization.f90
View File

@ -370,17 +370,17 @@ subroutine homogenization_results
call mechanical_results(group_base,ho)
group = trim(group_base)//'/damage'
call results_closeGroup(results_addGroup(group))
select case(damage_type(ho))
case(DAMAGE_NONLOCAL_ID)
group = trim(group_base)//'/damage'
call results_closeGroup(results_addGroup(group))
call damage_nonlocal_results(ho,group)
end select
group = trim(group_base)//'/thermal'
call results_closeGroup(results_addGroup(group))
select case(thermal_type(ho))
case(THERMAL_CONDUCTION_ID)
group = trim(group_base)//'/thermal'
call results_closeGroup(results_addGroup(group))
call thermal_conduction_results(ho,group)
end select
@ -545,7 +545,7 @@ subroutine material_parseHomogenization
do h=1, size(material_name_homogenization)
homog => material_homogenization%get(h)
homogMech => homog%get('mechanics')
homogMech => homog%get('mechanical')
select case (homogMech%get_asString('type'))
case('pass')
homogenization_type(h) = HOMOGENIZATION_NONE_ID

2
src/homogenization_mechanical.f90
View File

@ -224,7 +224,7 @@ module subroutine mechanical_results(group_base,ho)
character(len=:), allocatable :: group
group = trim(group_base)//'/mech'
group = trim(group_base)//'/mechanical'
call results_closeGroup(results_addGroup(group))
select case(homogenization_type(ho))

2
src/homogenization_mechanical_RGC.f90
View File

@ -139,7 +139,7 @@ module subroutine mechanical_RGC_init(num_homogMech)
do ho = 1, size(homogenization_type)
if (homogenization_type(ho) /= HOMOGENIZATION_RGC_ID) cycle
homog => material_homogenization%get(ho)
homogMech => homog%get('mechanics')
homogMech => homog%get('mechanical')
associate(prm => param(ho), &
stt => state(ho), &
st0 => state0(ho), &

2
src/homogenization_mechanical_isostrain.f90
View File

@ -46,7 +46,7 @@ module subroutine mechanical_isostrain_init
do h = 1, size(homogenization_type)
if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle
homog => material_homogenization%get(h)
homogMech => homog%get('mechanics')
homogMech => homog%get('mechanical')
associate(prm => param(h))
prm%N_constituents = homogenization_Nconstituents(h)

4
src/lattice.f90
View File

@ -480,8 +480,8 @@ subroutine lattice_init
do ph = 1, phases%length
phase => phases%get(ph)
mech => phase%get('mechanics')
elasticity => mech%get('elasticity')
mech => phase%get('mechanical')
elasticity => mech%get('elastic')
lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11')
lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12')

10
src/phase_damage.f90
View File

@ -341,21 +341,21 @@ module subroutine damage_results(group,ph)
sourceLoop: do so = 1, phase_Nsources(ph)
if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) &
call results_closeGroup(results_addGroup(group//'sources/')) ! should be 'damage'
call results_closeGroup(results_addGroup(group//'damage'))
sourceType: select case (phase_source(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_results(ph,group//'sources/')
call isobrittle_results(ph,group//'damage/')
case (DAMAGE_ISODUCTILE_ID) sourceType
call isoductile_results(ph,group//'sources/')
call isoductile_results(ph,group//'damage/')
case (DAMAGE_ANISOBRITTLE_ID) sourceType
call anisobrittle_results(ph,group//'sources/')
call anisobrittle_results(ph,group//'damage/')
case (DAMAGE_ANISODUCTILE_ID) sourceType
call anisoductile_results(ph,group//'sources/')
call anisoductile_results(ph,group//'damage/')
end select sourceType

4
src/phase_damage_anisoductile.f90
View File

@ -53,8 +53,8 @@ module function anisoductile_init() result(mySources)
do p = 1, phases%length
if(mySources(p)) then
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
sources => phase%get('damage')

49
src/phase_mechanical.f90
View File

@ -247,13 +247,13 @@ module subroutine mechanical_init(materials,phases)
allocate(phase_mechanical_F0(ph)%data(3,3,Nmembers))
phase => phases%get(ph)
mech => phase%get('mechanics')
mech => phase%get('mechanical')
#if defined(__GFORTRAN__)
output_constituent(ph)%label = output_asStrings(mech)
#else
output_constituent(ph)%label = mech%get_asStrings('output',defaultVal=emptyStringArray)
#endif
elastic => mech%get('elasticity')
elastic => mech%get('elastic')
if(elastic%get_asString('type') == 'hooke') then
phase_elasticity(ph) = ELASTICITY_HOOKE_ID
else
@ -269,7 +269,7 @@ module subroutine mechanical_init(materials,phases)
if(maxVal(phase_NstiffnessDegradations)/=0) then
do ph = 1, phases%length
phase => phases%get(ph)
mech => phase%get('mechanics')
mech => phase%get('mechanical')
stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList)
do stiffDegradationCtr = 1, stiffDegradation%length
if(stiffDegradation%get_asString(stiffDegradationCtr) == 'damage') &
@ -398,32 +398,31 @@ module subroutine mechanical_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) &
call results_closeGroup(results_addGroup(group//'plastic/'))
call crystallite_results(group,ph)
select case(phase_plasticity(ph))
case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(ph,group//'plastic/')
call plastic_isotropic_results(ph,group//'mechanical/')
case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(ph,group//'plastic/')
call plastic_phenopowerlaw_results(ph,group//'mechanical/')
case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(ph,group//'plastic/')
call plastic_kinehardening_results(ph,group//'mechanical/')
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(ph,group//'plastic/')
call plastic_dislotwin_results(ph,group//'mechanical/')
case(PLASTICITY_DISLOTUNGSTEN_ID)
call plastic_dislotungsten_results(ph,group//'plastic/')
call plastic_dislotungsten_results(ph,group//'mechanical/')
case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(ph,group//'plastic/')
call plastic_nonlocal_results(ph,group//'mechanical/')
end select
call crystallite_results(group,ph)
end subroutine mechanical_results
@ -978,35 +977,35 @@ subroutine crystallite_results(group,ph)
character(len=:), allocatable :: structureLabel
call results_closeGroup(results_addGroup(group//'/mechanics/'))
call results_closeGroup(results_addGroup(group//'/mechanical'))
do ou = 1, size(output_constituent(ph)%label)
select case (output_constituent(ph)%label(ou))
case('F')
call results_writeDataset(group//'/mechanics/',phase_mechanical_F(ph)%data,'F',&
call results_writeDataset(group//'/mechanical/',phase_mechanical_F(ph)%data,'F',&
'deformation gradient','1')
case('F_e')
call results_writeDataset(group//'/mechanics/',phase_mechanical_Fe(ph)%data,'F_e',&
call results_writeDataset(group//'/mechanical/',phase_mechanical_Fe(ph)%data,'F_e',&
'elastic deformation gradient','1')
case('F_p')
call results_writeDataset(group//'/mechanics/',phase_mechanical_Fp(ph)%data,'F_p', &
call results_writeDataset(group//'/mechanical/',phase_mechanical_Fp(ph)%data,'F_p', &
'plastic deformation gradient','1')
case('F_i')
call results_writeDataset(group//'/mechanics/',phase_mechanical_Fi(ph)%data,'F_i', &
call results_writeDataset(group//'/mechanical/',phase_mechanical_Fi(ph)%data,'F_i', &
'inelastic deformation gradient','1')
case('L_p')
call results_writeDataset(group//'/mechanics/',phase_mechanical_Lp(ph)%data,'L_p', &
call results_writeDataset(group//'/mechanical/',phase_mechanical_Lp(ph)%data,'L_p', &
'plastic velocity gradient','1/s')
case('L_i')
call results_writeDataset(group//'/mechanics/',phase_mechanical_Li(ph)%data,'L_i', &
call results_writeDataset(group//'/mechanical/',phase_mechanical_Li(ph)%data,'L_i', &
'inelastic velocity gradient','1/s')
case('P')
call results_writeDataset(group//'/mechanics/',phase_mechanical_P(ph)%data,'P', &
'First Piola-Kirchhoff stress','Pa')
call results_writeDataset(group//'/mechanical/',phase_mechanical_P(ph)%data,'P', &
'first Piola-Kirchhoff stress','Pa')
case('S')
call results_writeDataset(group//'/mechanics/',phase_mechanical_S(ph)%data,'S', &
'Second Piola-Kirchhoff stress','Pa')
call results_writeDataset(group//'/mechanical/',phase_mechanical_S(ph)%data,'S', &
'second Piola-Kirchhoff stress','Pa')
case('O')
select case(lattice_structure(ph))
case(lattice_ISO_ID)
@ -1023,9 +1022,9 @@ subroutine crystallite_results(group,ph)
structureLabel = 'oP'
end select
selected_rotations = select_rotations(crystallite_orientation,ph)
call results_writeDataset(group//'/mechanics/',selected_rotations,output_constituent(ph)%label(ou),&
call results_writeDataset(group//'/mechanical',selected_rotations,output_constituent(ph)%label(ou),&
'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)')
call results_addAttribute('Lattice',structureLabel,group//'/mechanics/'//output_constituent(ph)%label(ou))
call results_addAttribute('lattice',structureLabel,group//'/mechanical/'//output_constituent(ph)%label(ou))
end select
enddo

4
src/phase_mechanical_eigen.f90
View File

@ -57,7 +57,7 @@ module subroutine eigendeformation_init(phases)
do ph = 1,phases%length
phase => phases%get(ph)
mechanics => phase%get('mechanics')
mechanics => phase%get('mechanical')
kinematics => mechanics%get('eigen',defaultVal=emptyList)
Nmodels(ph) = kinematics%length
enddo
@ -98,7 +98,7 @@ function kinematics_active(kinematics_label,kinematics_length) result(active_ki
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
mechanics => phase%get('mechanics')
mechanics => phase%get('mechanical')
kinematics => mechanics%get('eigen',defaultVal=emptyList)
do k = 1, kinematics%length
kinematics_type => kinematics%get(k)

2
src/phase_mechanical_eigen_cleavageopening.f90
View File

@ -27,6 +27,4 @@ module function kinematics_cleavage_opening_init() result(myKinematics)
end function kinematics_cleavage_opening_init
end submodule cleavageopening

4
src/phase_mechanical_eigen_slipplaneopening.f90
View File

@ -61,8 +61,8 @@ module function kinematics_slipplane_opening_init() result(myKinematics)
do p = 1, phases%length
if(myKinematics(p)) then
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
kinematics => phase%get('damage')

4
src/phase_mechanical_plastic.f90
View File

@ -449,8 +449,8 @@ function plastic_active(plastic_label) result(active_plastic)
allocate(active_plastic(phases%length), source = .false. )
do ph = 1, phases%length
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
if(pl%get_asString('type') == plastic_label) active_plastic(ph) = .true.
enddo

4
src/phase_mechanical_plastic_dislotungsten.f90
View File

@ -120,8 +120,8 @@ module function plastic_dislotungsten_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_dislotwin.f90
View File

@ -173,8 +173,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_isotropic.f90
View File

@ -85,8 +85,8 @@ module function plastic_isotropic_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -98,8 +98,8 @@ module function plastic_kinehardening_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), dlt => deltaState(ph), stt => state(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_nonlocal.f90
View File

@ -227,8 +227,8 @@ module function plastic_nonlocal_init() result(myPlasticity)
st0 => state0(ph), del => deltaState(ph), dst => microstructure(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
phase_localPlasticity(ph) = .not. pl%contains('nonlocal')

4
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -107,8 +107,8 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
mech => phase%get('mechanical')
pl => mech%get('plastic')
!--------------------------------------------------------------------------------------------------
! slip related parameters

10
src/phase_thermal_externalheat.f90
View File

@ -92,7 +92,7 @@ module subroutine externalheat_dotState(ph, me)
so = source_thermal_externalheat_offset(ph)
thermalState(ph)%p(so)%dotState(1,me) = 1.0_pReal ! state is current time
thermalState(ph)%p(so)%dotState(1,me) = 1.0_pReal ! state is current time
end subroutine externalheat_dotState
@ -116,15 +116,15 @@ module subroutine externalheat_getRate(TDot, ph, me)
so = source_thermal_externalheat_offset(ph)
associate(prm => param(ph))
do interval = 1, prm%nIntervals ! scan through all rate segments
do interval = 1, prm%nIntervals ! scan through all rate segments
frac_time = (thermalState(ph)%p(so)%state(1,me) - prm%t_n(interval)) &
/ (prm%t_n(interval+1) - prm%t_n(interval)) ! fractional time within segment
/ (prm%t_n(interval+1) - prm%t_n(interval)) ! fractional time within segment
if ( (frac_time < 0.0_pReal .and. interval == 1) &
.or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) &
.or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) &
TDot = prm%f_T(interval ) * (1.0_pReal - frac_time) + &
prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside me bounds
prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside me bounds
enddo
end associate

143
src/results.f90
View File

@ -67,10 +67,10 @@ subroutine results_init(restart)
if(.not. restart) then
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
call results_addAttribute('DADF5_version_major',0)
call results_addAttribute('DADF5_version_minor',11)
call results_addAttribute('DADF5_version_minor',12)
call results_addAttribute('DAMASK_version',DAMASKVERSION)
call get_command(commandLine)
call results_addAttribute('Call',trim(commandLine))
call results_addAttribute('call',trim(commandLine))
call results_closeGroup(results_addGroup('mapping'))
call results_closeJobFile
endif
@ -105,12 +105,14 @@ subroutine results_addIncrement(inc,time)
integer, intent(in) :: inc
real(pReal), intent(in) :: time
character(len=pStringLen) :: incChar
write(incChar,'(i10)') inc
call results_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar)))))
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
call results_addAttribute('time/s',time,trim('inc'//trim(adjustl(incChar))))
call results_closeGroup(results_addGroup(trim('increment_'//trim(adjustl(incChar)))))
call results_setLink(trim('increment_'//trim(adjustl(incChar))),'current')
call results_addAttribute('t/s',time,trim('increment_'//trim(adjustl(incChar))))
end subroutine results_addIncrement
@ -133,6 +135,7 @@ integer(HID_T) function results_openGroup(groupName)
character(len=*), intent(in) :: groupName
results_openGroup = HDF5_openGroup(resultsFile,groupName)
end function results_openGroup
@ -145,6 +148,7 @@ integer(HID_T) function results_addGroup(groupName)
character(len=*), intent(in) :: groupName
results_addGroup = HDF5_addGroup(resultsFile,groupName)
end function results_addGroup
@ -157,6 +161,7 @@ subroutine results_closeGroup(group_id)
integer(HID_T), intent(in) :: group_id
call HDF5_closeGroup(group_id)
end subroutine results_closeGroup
@ -169,6 +174,7 @@ subroutine results_setLink(path,link)
character(len=*), intent(in) :: path, link
call HDF5_setLink(resultsFile,path,link)
end subroutine results_setLink
@ -181,6 +187,7 @@ subroutine results_addAttribute_str(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
@ -199,6 +206,7 @@ subroutine results_addAttribute_int(attrLabel,attrValue,path)
integer, intent(in) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
@ -217,6 +225,7 @@ subroutine results_addAttribute_real(attrLabel,attrValue,path)
real(pReal), intent(in) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
@ -235,6 +244,7 @@ subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
integer, intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
@ -253,6 +263,7 @@ subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
real(pReal), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
@ -270,6 +281,7 @@ subroutine results_removeLink(link)
character(len=*), intent(in) :: link
integer :: hdferr
call h5ldelete_f(resultsFile,link, hdferr)
if (hdferr < 0) call IO_error(1,ext_msg = 'results_removeLink: h5ldelete_soft_f ('//trim(link)//')')
@ -277,7 +289,7 @@ end subroutine results_removeLink
!--------------------------------------------------------------------------------------------------
!> @brief stores a scalar dataset in a group
!> @brief Store real scalar dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_real(group,dataset,label,description,SIunit)
@ -287,24 +299,17 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(groupHandle,dataset,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Created',now(),label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief stores a vector dataset in a group
!> @brief Store real vector dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_real(group,dataset,label,description,SIunit)
@ -314,25 +319,18 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(groupHandle,dataset,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Created',now(),label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief stores a tensor dataset in a group
!> @brief Store real tensor dataset with associated metadata.
!> @details Data is transposed to compenstate transposed storage order.
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit,transposed)
@ -353,35 +351,25 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
transposed_ = .true.
endif
groupHandle = results_openGroup(group)
if(transposed_) then
if(size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor'
allocate(dataset_transposed,mold=dataset)
do i=1,size(dataset_transposed,3)
dataset_transposed(:,:,i) = transpose(dataset(:,:,i))
enddo
call HDF5_write(groupHandle,dataset_transposed,label)
else
allocate(dataset_transposed,source=dataset)
call HDF5_write(groupHandle,dataset,label)
endif
groupHandle = results_openGroup(group)
call HDF5_write(groupHandle,dataset_transposed,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Created',now(),label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief stores a vector dataset in a group
!> @brief Store integer vector dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit)
@ -391,25 +379,17 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(groupHandle,dataset,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Created',now(),label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int
!--------------------------------------------------------------------------------------------------
!> @brief stores a tensor dataset in a group
!> @brief Store integer tensor dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit)
@ -419,20 +399,13 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(groupHandle,dataset,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Created',now(),label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_int
@ -524,21 +497,21 @@ subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,hdferr)
call h5tinsert_f(dtype_id, 'name', 0_SIZE_T, dt_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, hdferr)
call h5tinsert_f(dtype_id, 'member', type_size_string, H5T_NATIVE_INTEGER, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, hdferr)
call h5tinsert_f(name_id, 'name', 0_SIZE_T, dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
call h5tinsert_f(position_id, 'member', 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tclose_f(dt_id, hdferr)
@ -680,21 +653,21 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,hdferr)
call h5tinsert_f(dtype_id, 'name', 0_SIZE_T, dt_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, hdferr)
call h5tinsert_f(dtype_id, 'member', type_size_string, H5T_NATIVE_INTEGER, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, hdferr)
call h5tinsert_f(name_id, 'name', 0_SIZE_T, dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
call h5tinsert_f(position_id, 'member', 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tclose_f(dt_id, hdferr)
@ -749,17 +722,41 @@ end subroutine results_mapping_homogenization
!--------------------------------------------------------------------------------------------------
!> @brief current date and time (including time zone information)
!> @brief Add default information to a dataset.
!--------------------------------------------------------------------------------------------------
subroutine executionStamp(path,description,SIunit)
character(len=*), intent(in) :: path,description
character(len=*), intent(in), optional :: SIunit
if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'description',description,path)
if (HDF5_objectExists(resultsFile,path) .and. present(SIunit)) &
call HDF5_addAttribute(resultsFile,'unit',SIunit,path)
if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'creator','DAMASK '//DAMASKVERSION,path)
if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'created',now(),path)
end subroutine executionStamp
!--------------------------------------------------------------------------------------------------
!> @brief Return current date and time (including time zone information).
!--------------------------------------------------------------------------------------------------
character(len=24) function now()
character(len=5) :: zone
integer, dimension(8) :: values
call date_and_time(values=values,zone=zone)
write(now,'(i4.4,5(a,i2.2),a)') &
values(1),'-',values(2),'-',values(3),' ',values(5),':',values(6),':',values(7),zone
end function now
end module results