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standardizing 

1) don't start with capital letters
2) mechanics -> mechanical, plasticity -> plastic, elasticity -> plastic
3) store results per top level group (no plasticity, only mechanics)
This commit is contained in:
Martin Diehl 2021-03-08 16:38:15 +01:00
parent 1f383ddeff
commit f3558f19b6
41 changed files with 1334 additions and 1283 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 13dfa0ee9d702782f0b7999f3f7fb2384f58d768 Subproject commit 2d0b76a5969095321669f924a5f8cd92ae4cfbe6

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

6
examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml
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@ -1,8 +1,8 @@
Tungsten: Tungsten:
lattice: cI lattice: cI
mechanics: mechanical:
elasticity: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013) elastic: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013)
plasticity: plastic:
type: dislotwin type: dislotwin
D: 2.0e-5 # Average grain size / m D: 2.0e-5 # Average grain size / m
N_sl: [12] 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 # Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079
Aluminum: Aluminum:
lattice: aP lattice: aP
mechanics: mechanical:
output: [F, P, F_e, F_p, L_p] output: [F, P, F_e, F_p, L_p]
elasticity: {type: hooke, C_11: 110.9e9, C_12: 58.34e9} elastic: {type: hooke, C_11: 110.9e9, C_12: 58.34e9}
plasticity: plastic:
type: isotropic type: isotropic
output: [xi] output: [xi]
xi_0: 31e6 xi_0: 31e6

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

6
examples/ConfigFiles/Phase_Phenopowerlaw_Aluminum.yaml
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@ -1,9 +1,9 @@
Aluminum: Aluminum:
lattice: cF lattice: cF
mechanics: mechanical:
output: [F, P, F_e, F_p, L_p, O] 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} elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity: plastic:
N_sl: [12] N_sl: [12]
a_sl: 2.25 a_sl: 2.25
dot_gamma_0_sl: 0.001 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 # Diehl et.al. 2015 Meccanica
Ferrite: Ferrite:
lattice: cI lattice: cI
mechanics: mechanical:
elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke} elastic: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke}
plasticity: plastic:
N_sl: [12, 12] N_sl: [12, 12]
a_sl: 2.0 a_sl: 2.0
dot_gamma_0_sl: 0.001 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 # Diehl et.al. 2015 Meccanica
Martensite: Martensite:
lattice: cI lattice: cI
mechanics: mechanical:
elasticity: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke} elastic: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke}
plasticity: plastic:
N_sl: [12, 12] N_sl: [12, 12]
a_sl: 2.0 a_sl: 2.0
dot_gamma_0_sl: 0.001 dot_gamma_0_sl: 0.001

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

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

6
examples/ConfigFiles/Phase_Phenopowerlaw_cpTi.yaml
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@ -3,10 +3,10 @@
Ti-alpha: Ti-alpha:
lattice: hP lattice: hP
c/a: 1.587 c/a: 1.587
mechanics: mechanical:
output: [F, P, F_e, F_p, L_p, O] 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} elastic: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke}
plasticity: plastic:
N_sl: [3, 3, 0, 0, 12] N_sl: [3, 3, 0, 0, 12]
a_sl: 2.0 a_sl: 2.0
dot_gamma_0_sl: 0.001 dot_gamma_0_sl: 0.001

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

198
python/damask/_result.py
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@ -60,10 +60,11 @@ class Result:
self.size = f['geometry'].attrs['size'] self.size = f['geometry'].attrs['size']
self.origin = f['geometry'].attrs['origin'] self.origin = f['geometry'].attrs['origin']
r=re.compile('inc[0-9]+') r=re.compile('inc[0-9]+' if self.version_minor < 12 else 'increment_[0-9]+')
increments_unsorted = {int(i[3:]):i for i in f.keys() if r.match(i)} 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.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.N_materialpoints, self.N_constituents = np.shape(f['mapping/phase'])
@ -139,9 +140,10 @@ class Result:
choice = datasets if hasattr(datasets,'__iter__') and not isinstance(datasets,str) else \ choice = datasets if hasattr(datasets,'__iter__') and not isinstance(datasets,str) else \
[datasets] [datasets]
inc = 'inc' if self.version_minor < 12 else 'increment_' # compatibility hack
if what == 'increments': if what == 'increments':
choice = [c if isinstance(c,str) and c.startswith('inc') else choice = [c if isinstance(c,str) and c.startswith(inc) else
f'inc{c}' for c in choice] f'{inc}{c}' for c in choice]
elif what == 'times': elif what == 'times':
what = 'increments' what = 'increments'
if choice == ['*']: if choice == ['*']:
@ -206,7 +208,7 @@ class Result:
self._allow_modification = False 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. Select all increments within a given range.
@ -218,9 +220,11 @@ class Result:
End increment. End increment.
""" """
# compatibility hack
ln = 3 if self.version_minor < 12 else 10
selected = [] selected = []
for i,inc in enumerate([int(i[3:]) for i in self.increments]): for i,inc in enumerate([int(i[ln:]) 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)) s,e = map(lambda x: int(x[ln:] if isinstance(x,str) and x.startswith('inc') else x), (start,end))
if s <= inc <= e: if s <= inc <= e:
selected.append(self.increments[i]) selected.append(self.increments[i])
return selected return selected
@ -461,6 +465,9 @@ class Result:
def list_data(self): def list_data(self):
"""Return information on all active datasets in the file.""" """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 = '' message = ''
with h5py.File(self.fname,'r') as f: with h5py.File(self.fname,'r') as f:
for i in self.iterate('increments'): for i in self.iterate('increments'):
@ -475,13 +482,13 @@ class Result:
for d in f[group].keys(): for d in f[group].keys():
try: try:
dataset = f['/'.join([group,d])] dataset = f['/'.join([group,d])]
if 'Unit' in dataset.attrs: if un in dataset.attrs:
unit = f" / {dataset.attrs['Unit']}" if h5py3 else \ unit = f" / {dataset.attrs[un]}" if h5py3 else \
f" / {dataset.attrs['Unit'].decode()}" f" / {dataset.attrs[un].decode()}"
else: else:
unit = '' unit = ''
description = dataset.attrs['Description'] if h5py3 else \ description = dataset.attrs[de] if h5py3 else \
dataset.attrs['Description'].decode() dataset.attrs[de].decode()
message += f' {d}{unit}: {description}\n' message += f' {d}{unit}: {description}\n'
except KeyError: except KeyError:
pass pass
@ -594,9 +601,9 @@ class Result:
'data': np.abs(x['data']), 'data': np.abs(x['data']),
'label': f'|{x["label"]}|', 'label': f'|{x["label"]}|',
'meta': { 'meta': {
'Unit': x['meta']['Unit'], 'unit': x['meta']['unit'],
'Description': f"Absolute value of {x['label']} ({x['meta']['Description']})", 'description': f"absolute value of {x['label']} ({x['meta']['description']})",
'Creator': 'add_absolute' 'creator': 'add_absolute'
} }
} }
def add_absolute(self,x): def add_absolute(self,x):
@ -622,9 +629,9 @@ class Result:
'data': eval(formula), 'data': eval(formula),
'label': kwargs['label'], 'label': kwargs['label'],
'meta': { 'meta': {
'Unit': kwargs['unit'], 'unit': kwargs['unit'],
'Description': f"{kwargs['description']} (formula: {kwargs['formula']})", 'description': f"{kwargs['description']} (formula: {kwargs['formula']})",
'Creator': 'add_calculation' 'creator': 'add_calculation'
} }
} }
def add_calculation(self,label,formula,unit='n/a',description=None): def add_calculation(self,label,formula,unit='n/a',description=None):
@ -654,11 +661,11 @@ class Result:
'data': mechanics.stress_Cauchy(P['data'],F['data']), 'data': mechanics.stress_Cauchy(P['data'],F['data']),
'label': 'sigma', 'label': 'sigma',
'meta': { 'meta': {
'Unit': P['meta']['Unit'], 'unit': P['meta']['unit'],
'Description': "Cauchy stress calculated " 'description': "Cauchy stress calculated "
f"from {P['label']} ({P['meta']['Description']})" f"from {P['label']} ({P['meta']['description']})"
f" and {F['label']} ({F['meta']['Description']})", f" and {F['label']} ({F['meta']['description']})",
'Creator': 'add_stress_Cauchy' 'creator': 'add_stress_Cauchy'
} }
} }
def add_stress_Cauchy(self,P='P',F='F'): def add_stress_Cauchy(self,P='P',F='F'):
@ -682,9 +689,9 @@ class Result:
'data': np.linalg.det(T['data']), 'data': np.linalg.det(T['data']),
'label': f"det({T['label']})", 'label': f"det({T['label']})",
'meta': { 'meta': {
'Unit': T['meta']['Unit'], 'unit': T['meta']['unit'],
'Description': f"Determinant of tensor {T['label']} ({T['meta']['Description']})", 'description': f"determinant of tensor {T['label']} ({T['meta']['description']})",
'Creator': 'add_determinant' 'creator': 'add_determinant'
} }
} }
def add_determinant(self,T): def add_determinant(self,T):
@ -706,9 +713,9 @@ class Result:
'data': tensor.deviatoric(T['data']), 'data': tensor.deviatoric(T['data']),
'label': f"s_{T['label']}", 'label': f"s_{T['label']}",
'meta': { 'meta': {
'Unit': T['meta']['Unit'], 'unit': T['meta']['unit'],
'Description': f"Deviator of tensor {T['label']} ({T['meta']['Description']})", 'description': f"deviator of tensor {T['label']} ({T['meta']['description']})",
'Creator': 'add_deviator' 'creator': 'add_deviator'
} }
} }
def add_deviator(self,T): def add_deviator(self,T):
@ -727,19 +734,19 @@ class Result:
@staticmethod @staticmethod
def _add_eigenvalue(T_sym,eigenvalue): def _add_eigenvalue(T_sym,eigenvalue):
if eigenvalue == 'max': if eigenvalue == 'max':
label,p = 'Maximum',2 label,p = 'maximum',2
elif eigenvalue == 'mid': elif eigenvalue == 'mid':
label,p = 'Intermediate',1 label,p = 'intermediate',1
elif eigenvalue == 'min': elif eigenvalue == 'min':
label,p = 'Minimum',0 label,p = 'minimum',0
return { return {
'data': tensor.eigenvalues(T_sym['data'])[:,p], 'data': tensor.eigenvalues(T_sym['data'])[:,p],
'label': f"lambda_{eigenvalue}({T_sym['label']})", 'label': f"lambda_{eigenvalue}({T_sym['label']})",
'meta' : { 'meta' : {
'Unit': T_sym['meta']['Unit'], 'unit': T_sym['meta']['unit'],
'Description': f"{label} eigenvalue of {T_sym['label']} ({T_sym['meta']['Description']})", 'description': f"{label} eigenvalue of {T_sym['label']} ({T_sym['meta']['description']})",
'Creator': 'add_eigenvalue' 'creator': 'add_eigenvalue'
} }
} }
def add_eigenvalue(self,T_sym,eigenvalue='max'): def add_eigenvalue(self,T_sym,eigenvalue='max'):
@ -769,10 +776,10 @@ class Result:
'data': tensor.eigenvectors(T_sym['data'])[:,p], 'data': tensor.eigenvectors(T_sym['data'])[:,p],
'label': f"v_{eigenvalue}({T_sym['label']})", 'label': f"v_{eigenvalue}({T_sym['label']})",
'meta' : { 'meta' : {
'Unit': '1', 'unit': '1',
'Description': f"Eigenvector corresponding to {label} eigenvalue" 'description': f"eigenvector corresponding to {label} eigenvalue"
f" of {T_sym['label']} ({T_sym['meta']['Description']})", f" of {T_sym['label']} ({T_sym['meta']['description']})",
'Creator': 'add_eigenvector' 'creator': 'add_eigenvector'
} }
} }
def add_eigenvector(self,T_sym,eigenvalue='max'): def add_eigenvector(self,T_sym,eigenvalue='max'):
@ -795,9 +802,9 @@ class Result:
def _add_IPF_color(l,q): def _add_IPF_color(l,q):
m = util.scale_to_coprime(np.array(l)) m = util.scale_to_coprime(np.array(l))
try: try:
lattice = {'fcc':'cF','bcc':'cI','hex':'hP'}[q['meta']['Lattice']] lattice = {'fcc':'cF','bcc':'cI','hex':'hP'}[q['meta']['lattice']]
except KeyError: except KeyError:
lattice = q['meta']['Lattice'] lattice = q['meta']['lattice']
try: try:
o = Orientation(rotation = (rfn.structured_to_unstructured(q['data'])),lattice=lattice) o = Orientation(rotation = (rfn.structured_to_unstructured(q['data'])),lattice=lattice)
except ValueError: except ValueError:
@ -807,10 +814,10 @@ class Result:
'data': np.uint8(o.IPF_color(l)*255), 'data': np.uint8(o.IPF_color(l)*255),
'label': 'IPFcolor_[{} {} {}]'.format(*m), 'label': 'IPFcolor_[{} {} {}]'.format(*m),
'meta' : { 'meta' : {
'Unit': '8-bit RGB', 'unit': '8-bit RGB',
'Lattice': q['meta']['Lattice'], 'lattice': q['meta']['lattice'],
'Description': 'Inverse Pole Figure (IPF) colors along sample direction [{} {} {}]'.format(*m), 'description': 'Inverse Pole Figure (IPF) colors along sample direction [{} {} {}]'.format(*m),
'Creator': 'add_IPF_color' 'creator': 'add_IPF_color'
} }
} }
def add_IPF_color(self,l,q='O'): def add_IPF_color(self,l,q='O'):
@ -835,9 +842,9 @@ class Result:
'data': mechanics.maximum_shear(T_sym['data']), 'data': mechanics.maximum_shear(T_sym['data']),
'label': f"max_shear({T_sym['label']})", 'label': f"max_shear({T_sym['label']})",
'meta': { 'meta': {
'Unit': T_sym['meta']['Unit'], 'unit': T_sym['meta']['unit'],
'Description': f"Maximum shear component of {T_sym['label']} ({T_sym['meta']['Description']})", 'description': f"maximum shear component of {T_sym['label']} ({T_sym['meta']['description']})",
'Creator': 'add_maximum_shear' 'creator': 'add_maximum_shear'
} }
} }
def add_maximum_shear(self,T_sym): def add_maximum_shear(self,T_sym):
@ -857,9 +864,9 @@ class Result:
def _add_equivalent_Mises(T_sym,kind): def _add_equivalent_Mises(T_sym,kind):
k = kind k = kind
if k is None: if k is None:
if T_sym['meta']['Unit'] == '1': if T_sym['meta']['unit'] == '1':
k = 'strain' k = 'strain'
elif T_sym['meta']['Unit'] == 'Pa': elif T_sym['meta']['unit'] == 'Pa':
k = 'stress' k = 'stress'
if k not in ['stress', 'strain']: if k not in ['stress', 'strain']:
raise ValueError('invalid von Mises kind {kind}') raise ValueError('invalid von Mises kind {kind}')
@ -869,9 +876,9 @@ class Result:
mechanics.equivalent_stress_Mises)(T_sym['data']), mechanics.equivalent_stress_Mises)(T_sym['data']),
'label': f"{T_sym['label']}_vM", 'label': f"{T_sym['label']}_vM",
'meta': { 'meta': {
'Unit': T_sym['meta']['Unit'], 'unit': T_sym['meta']['unit'],
'Description': f"Mises equivalent {k} of {T_sym['label']} ({T_sym['meta']['Description']})", 'description': f"Mises equivalent {k} of {T_sym['label']} ({T_sym['meta']['description']})",
'Creator': 'add_Mises' 'creator': 'add_Mises'
} }
} }
def add_equivalent_Mises(self,T_sym,kind=None): def add_equivalent_Mises(self,T_sym,kind=None):
@ -908,9 +915,9 @@ class Result:
'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True), 'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
'label': f"|{x['label']}|_{o}", 'label': f"|{x['label']}|_{o}",
'meta': { 'meta': {
'Unit': x['meta']['Unit'], 'unit': x['meta']['unit'],
'Description': f"{o}-norm of {t} {x['label']} ({x['meta']['Description']})", 'description': f"{o}-norm of {t} {x['label']} ({x['meta']['description']})",
'Creator': 'add_norm' 'creator': 'add_norm'
} }
} }
def add_norm(self,x,ord=None): def add_norm(self,x,ord=None):
@ -934,11 +941,11 @@ class Result:
'data': mechanics.stress_second_Piola_Kirchhoff(P['data'],F['data']), 'data': mechanics.stress_second_Piola_Kirchhoff(P['data'],F['data']),
'label': 'S', 'label': 'S',
'meta': { 'meta': {
'Unit': P['meta']['Unit'], 'unit': P['meta']['unit'],
'Description': "2. Piola-Kirchhoff stress calculated " 'description': "second Piola-Kirchhoff stress calculated "
f"from {P['label']} ({P['meta']['Description']})" f"from {P['label']} ({P['meta']['description']})"
f" and {F['label']} ({F['meta']['Description']})", f" and {F['label']} ({F['meta']['description']})",
'Creator': 'add_stress_second_Piola_Kirchhoff' 'creator': 'add_stress_second_Piola_Kirchhoff'
} }
} }
def add_stress_second_Piola_Kirchhoff(self,P='P',F='F'): def add_stress_second_Piola_Kirchhoff(self,P='P',F='F'):
@ -976,10 +983,10 @@ class Result:
# 'data': coords, # 'data': coords,
# 'label': 'p^{}_[{} {} {})'.format(u'rφ' if polar else 'xy',*m), # 'label': 'p^{}_[{} {} {})'.format(u'rφ' if polar else 'xy',*m),
# 'meta' : { # 'meta' : {
# 'Unit': '1', # 'unit': '1',
# 'Description': '{} coordinates of stereographic projection of pole (direction/plane) in crystal frame'\ # 'description': '{} coordinates of stereographic projection of pole (direction/plane) in crystal frame'\
# .format('Polar' if polar else 'Cartesian'), # .format('Polar' if polar else 'Cartesian'),
# 'Creator': 'add_pole' # 'creator': 'add_pole'
# } # }
# } # }
# def add_pole(self,q,p,polar=False): # def add_pole(self,q,p,polar=False):
@ -1005,9 +1012,9 @@ class Result:
'data': mechanics.rotation(F['data']).as_matrix(), 'data': mechanics.rotation(F['data']).as_matrix(),
'label': f"R({F['label']})", 'label': f"R({F['label']})",
'meta': { 'meta': {
'Unit': F['meta']['Unit'], 'unit': F['meta']['unit'],
'Description': f"Rotational part of {F['label']} ({F['meta']['Description']})", 'description': f"rotational part of {F['label']} ({F['meta']['description']})",
'Creator': 'add_rotation' 'creator': 'add_rotation'
} }
} }
def add_rotation(self,F): def add_rotation(self,F):
@ -1029,9 +1036,9 @@ class Result:
'data': tensor.spherical(T['data'],False), 'data': tensor.spherical(T['data'],False),
'label': f"p_{T['label']}", 'label': f"p_{T['label']}",
'meta': { 'meta': {
'Unit': T['meta']['Unit'], 'unit': T['meta']['unit'],
'Description': f"Spherical component of tensor {T['label']} ({T['meta']['Description']})", 'description': f"spherical component of tensor {T['label']} ({T['meta']['description']})",
'Creator': 'add_spherical' 'creator': 'add_spherical'
} }
} }
def add_spherical(self,T): def add_spherical(self,T):
@ -1053,9 +1060,9 @@ class Result:
'data': mechanics.strain(F['data'],t,m), 'data': mechanics.strain(F['data'],t,m),
'label': f"epsilon_{t}^{m}({F['label']})", 'label': f"epsilon_{t}^{m}({F['label']})",
'meta': { 'meta': {
'Unit': F['meta']['Unit'], 'unit': F['meta']['unit'],
'Description': f"Strain tensor of {F['label']} ({F['meta']['Description']})", 'description': f"strain tensor of {F['label']} ({F['meta']['description']})",
'Creator': 'add_strain' 'creator': 'add_strain'
} }
} }
def add_strain(self,F='F',t='V',m=0.0): def add_strain(self,F='F',t='V',m=0.0):
@ -1084,10 +1091,10 @@ class Result:
'data': (mechanics.stretch_left if t.upper() == 'V' else mechanics.stretch_right)(F['data']), 'data': (mechanics.stretch_left if t.upper() == 'V' else mechanics.stretch_right)(F['data']),
'label': f"{t}({F['label']})", 'label': f"{t}({F['label']})",
'meta': { 'meta': {
'Unit': F['meta']['Unit'], 'unit': F['meta']['unit'],
'Description': '{} stretch tensor of {} ({})'.format('Left' if t.upper() == 'V' else 'Right', 'description': '{} stretch tensor of {} ({})'.format('left' if t.upper() == 'V' else 'right',
F['label'],F['meta']['Description']), F['label'],F['meta']['description']),
'Creator': 'add_stretch_tensor' 'creator': 'add_stretch_tensor'
} }
} }
def add_stretch_tensor(self,F='F',t='V'): def add_stretch_tensor(self,F='F',t='V'):
@ -1161,8 +1168,7 @@ class Result:
if self._allow_modification and result[0]+'/'+result[1]['label'] in f: if self._allow_modification and result[0]+'/'+result[1]['label'] in f:
dataset = f[result[0]+'/'+result[1]['label']] dataset = f[result[0]+'/'+result[1]['label']]
dataset[...] = result[1]['data'] dataset[...] = result[1]['data']
dataset.attrs['Overwritten'] = 'Yes' if h5py3 else \ dataset.attrs['overwritten'] = True
'Yes'.encode()
else: else:
if result[1]['data'].size >= chunk_size*2: if result[1]['data'].size >= chunk_size*2:
shape = result[1]['data'].shape shape = result[1]['data'].shape
@ -1175,14 +1181,14 @@ class Result:
dataset = f[result[0]].create_dataset(result[1]['label'],data=result[1]['data']) dataset = f[result[0]].create_dataset(result[1]['label'],data=result[1]['data'])
now = datetime.datetime.now().astimezone() 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() now.strftime('%Y-%m-%d %H:%M:%S%z').encode()
for l,v in result[1]['meta'].items(): for l,v in result[1]['meta'].items():
dataset.attrs[l]=v if h5py3 else v.encode() dataset.attrs[l.lower()]=v if h5py3 else v.encode()
creator = dataset.attrs['Creator'] if h5py3 else \ creator = dataset.attrs['creator'] if h5py3 else \
dataset.attrs['Creator'].decode() dataset.attrs['creator'].decode()
dataset.attrs['Creator'] = f"damask.Result.{creator} v{damask.version}" if h5py3 else \ dataset.attrs['creator'] = f"damask.Result.{creator} v{damask.version}" if h5py3 else \
f"damask.Result.{creator} v{damask.version}".encode() f"damask.Result.{creator} v{damask.version}".encode()
except (OSError,RuntimeError) as err: except (OSError,RuntimeError) as err:
@ -1200,6 +1206,8 @@ class Result:
The view is not taken into account, i.e. the content of the The view is not taken into account, i.e. the content of the
whole file will be included. 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: if self.N_constituents != 1 or len(self.phases) != 1 or not self.structured:
raise TypeError('XDMF output requires homogeneous grid') raise TypeError('XDMF output requires homogeneous grid')
@ -1281,7 +1289,7 @@ class Result:
dtype = f[name].dtype dtype = f[name].dtype
if dtype not in np.sctypes['int']+np.sctypes['uint']+np.sctypes['float']: continue 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.append(ET.SubElement(grid, 'Attribute'))
attributes[-1].attrib={'Name': name.split('/',2)[2]+f' / {unit}', attributes[-1].attrib={'Name': name.split('/',2)[2]+f' / {unit}',
@ -1325,7 +1333,10 @@ class Result:
elif mode.lower()=='point': elif mode.lower()=='point':
v = VTK.from_poly_data(self.coordinates0_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'])): for inc in util.show_progress(self.iterate('increments'),len(self.visible['increments'])):
@ -1335,21 +1346,24 @@ class Result:
for o in self.iterate('out_type_ph'): for o in self.iterate('out_type_ph'):
for c in range(self.N_constituents): for c in range(self.N_constituents):
prefix = '' if self.N_constituents == 1 else f'constituent{c}/' 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'): for _ in self.iterate('phases'):
path = self.get_dataset_location(label) path = self.get_dataset_location(label)
if len(path) == 0: if len(path) == 0:
continue continue
array = self.read_dataset(path,c) 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: else:
paths = self.get_dataset_location(label) paths = self.get_dataset_location(label)
if len(paths) == 0: if len(paths) == 0:
continue continue
array = self.read_dataset(paths,c) array = self.read_dataset(paths,c)
if self.version_minor < 12:
ph_name = re.compile(r'(?<=(phase\/))(.*?)(?=(mechanics))') # identify phase name 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 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")}') v.add(array,dset_name+f' / {self._get_attribute(paths[0],"unit")}')
self.view('homogenizations',viewed_backup_ho) self.view('homogenizations',viewed_backup_ho)
viewed_backup_ph = self.visible['phases'].copy() viewed_backup_ph = self.visible['phases'].copy()
@ -1360,10 +1374,10 @@ class Result:
if len(paths) == 0: if len(paths) == 0:
continue continue
array = self.read_dataset(paths) 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) self.view('phases',viewed_backup_ph)
u = self.read_dataset(self.get_dataset_location('u_n' if mode.lower() == 'cell' else 'u_p')) u = self.read_dataset(self.get_dataset_location('u_n' if mode.lower() == 'cell' else 'u_p'))
v.add(u,'u') 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: homogenization:
SX: SX:
N_constituents: 1 N_constituents: 1
mechanics: {type: none} mechanical: {type: pass}
phase: phase:
pheno_fcc: pheno_fcc:
lattice: cF lattice: cF
mechanics: mechanical:
output: [F, P, F_e, F_p, L_p, O] 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} elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity: plastic:
N_sl: [12] N_sl: [12]
a_sl: 2.25 a_sl: 2.25
atol_xi: 1.0 atol_xi: 1.0
@ -24,10 +24,10 @@ phase:
xi_inf_sl: [63e6] xi_inf_sl: [63e6]
pheno_bcc: pheno_bcc:
lattice: cI lattice: cI
mechanics: mechanical:
output: [F, P, F_e, F_p, L_p, O] 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} elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
plasticity: plastic:
N_sl: [12] N_sl: [12]
a_sl: 2.25 a_sl: 2.25
atol_xi: 1.0 atol_xi: 1.0
@ -42,62 +42,62 @@ phase:
material: material:
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.8229200444892315, 0.5284940239127993, -0.11958598847729246, 0.17086795611292308] O: [0.8229200444892315, 0.5284940239127993, -0.11958598847729246, 0.17086795611292308]
phase: pheno_fcc phase: pheno_fcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.029934934533052786, -0.0463822071939717, 0.9983440440417412, 0.01617900728410769] O: [0.029934934533052786, -0.0463822071939717, 0.9983440440417412, 0.01617900728410769]
phase: pheno_fcc phase: pheno_fcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.5285808688806949, 0.7326575088838098, 0.4051997815944012, 0.1401013087924221] O: [0.5285808688806949, 0.7326575088838098, 0.4051997815944012, 0.1401013087924221]
phase: pheno_fcc phase: pheno_fcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.1839974517790312, 0.49550065903084944, -0.1541415483910751, -0.8347840545305227] O: [0.1839974517790312, 0.49550065903084944, -0.1541415483910751, -0.8347840545305227]
phase: pheno_fcc phase: pheno_fcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.8055693100147384, -0.22778497057116814, -0.028331746016454287, 0.5462320075864553] O: [0.8055693100147384, -0.22778497057116814, -0.028331746016454287, 0.5462320075864553]
phase: pheno_fcc phase: pheno_fcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.8025842700117737, -0.33640019337884963, -0.3847408071640489, 0.3076815085881779] O: [0.8025842700117737, -0.33640019337884963, -0.3847408071640489, 0.3076815085881779]
phase: pheno_fcc phase: pheno_fcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.6048933483394416, 0.7565005822419409, -0.08545681892422426, -0.2334695661144201] O: [0.6048933483394416, 0.7565005822419409, -0.08545681892422426, -0.2334695661144201]
phase: pheno_bcc phase: pheno_bcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.2012339360745425, -0.3580127491130033, -0.7798091137625135, 0.47247171400774884] O: [0.2012339360745425, -0.3580127491130033, -0.7798091137625135, 0.47247171400774884]
phase: pheno_bcc phase: pheno_bcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.7949688202267222, 0.3623793306926909, -0.18836147613310203, -0.4485819321629098] O: [0.7949688202267222, 0.3623793306926909, -0.18836147613310203, -0.4485819321629098]
phase: pheno_bcc phase: pheno_bcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.19733162113429173, -0.06559103894055797, -0.40230149937129567, 0.8915781236183501] O: [0.19733162113429173, -0.06559103894055797, -0.40230149937129567, 0.8915781236183501]
phase: pheno_bcc phase: pheno_bcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.8659916384140512, -0.2761459420825848, 0.38479354764225004, -0.1604238964779258] O: [0.8659916384140512, -0.2761459420825848, 0.38479354764225004, -0.1604238964779258]
phase: pheno_bcc phase: pheno_bcc
homogenization: SX homogenization: SX
- constituents: - constituents:
- fraction: 1.0 - v: 1.0
O: [0.5951846978175659, 0.4476701545571293, -0.6038886363266418, -0.2840160613735736] O: [0.5951846978175659, 0.4476701545571293, -0.6038886363266418, -0.2840160613735736]
phase: pheno_bcc phase: pheno_bcc
homogenization: SX homogenization: SX

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

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2101
python/tests/reference/Result/6grains6x7x8_single_phase_tensionY.xdmf
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15
python/tests/reference/Result/tensionY.yaml
View File

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

6
python/tests/test_Config.py
View File

@ -2,6 +2,8 @@ import pytest
import numpy as np import numpy as np
from damask import Config from damask import Config
from damask import Rotation
from damask import Orientation
class TestConfig: class TestConfig:
@ -42,3 +44,7 @@ class TestConfig:
def test_abstract_is_complete(self): def test_abstract_is_complete(self):
assert Config().is_complete is None 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') a = default.get_dataset_location('F')
default.view('increments','*') default.view('increments','*')
b = default.get_dataset_location('F') 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') c = default.get_dataset_location('F')
default.view('times',True) default.view('times',True)
@ -173,7 +173,7 @@ class TestResult:
loc = {'O': default.get_dataset_location('O'), loc = {'O': default.get_dataset_location('O'),
'color': default.get_dataset_location('IPFcolor_[{} {} {}]'.format(*d))} 'color': default.get_dataset_location('IPFcolor_[{} {} {}]'.format(*d))}
qu = default.read_dataset(loc['O']).view(np.double).squeeze() 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) c = Orientation(rotation=qu,lattice=crystal_structure)
in_memory = np.uint8(c.IPF_color(np.array(d))*255) in_memory = np.uint8(c.IPF_color(np.array(d))*255)
in_file = default.read_dataset(loc['color']) in_file = default.read_dataset(loc['color'])
@ -314,9 +314,9 @@ class TestResult:
with h5py.File(default.fname,'r') as f: with h5py.File(default.fname,'r') as f:
# h5py3 compatibility # h5py3 compatibility
try: try:
created_first = f[loc[0]].attrs['Created'].decode() created_first = f[loc[0]].attrs['created'].decode()
except AttributeError: 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') created_first = datetime.strptime(created_first,'%Y-%m-%d %H:%M:%S%z')
if overwrite == 'on': if overwrite == 'on':
@ -332,9 +332,9 @@ class TestResult:
with h5py.File(default.fname,'r') as f: with h5py.File(default.fname,'r') as f:
# h5py3 compatibility # h5py3 compatibility
try: try:
created_second = f[loc[0]].attrs['Created'].decode() created_second = f[loc[0]].attrs['created'].decode()
except AttributeError: 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') created_second = datetime.strptime(created_second,'%Y-%m-%d %H:%M:%S%z')
if overwrite == 'on': if overwrite == 'on':
assert created_first < created_second and np.allclose(default.read_dataset(loc),311.) assert created_first < created_second and np.allclose(default.read_dataset(loc),311.)

1
src/grid/DAMASK_grid.f90
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@ -104,7 +104,6 @@ program DAMASK_grid
load_step, & load_step, &
solver, & solver, &
initial_conditions, & initial_conditions, &
ic_thermal, &
thermal, & thermal, &
step_bc, & step_bc, &
step_mech, & step_mech, &

2
src/homogenization.f90
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@ -545,7 +545,7 @@ subroutine material_parseHomogenization
do h=1, size(material_name_homogenization) do h=1, size(material_name_homogenization)
homog => material_homogenization%get(h) homog => material_homogenization%get(h)
homogMech => homog%get('mechanics') homogMech => homog%get('mechanical')
select case (homogMech%get_asString('type')) select case (homogMech%get_asString('type'))
case('pass') case('pass')
homogenization_type(h) = HOMOGENIZATION_NONE_ID homogenization_type(h) = HOMOGENIZATION_NONE_ID

2
src/homogenization_mechanical_RGC.f90
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@ -139,7 +139,7 @@ module subroutine mechanical_RGC_init(num_homogMech)
do ho = 1, size(homogenization_type) do ho = 1, size(homogenization_type)
if (homogenization_type(ho) /= HOMOGENIZATION_RGC_ID) cycle if (homogenization_type(ho) /= HOMOGENIZATION_RGC_ID) cycle
homog => material_homogenization%get(ho) homog => material_homogenization%get(ho)
homogMech => homog%get('mechanics') homogMech => homog%get('mechanical')
associate(prm => param(ho), & associate(prm => param(ho), &
stt => state(ho), & stt => state(ho), &
st0 => state0(ho), & st0 => state0(ho), &

2
src/homogenization_mechanical_isostrain.f90
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@ -46,7 +46,7 @@ module subroutine mechanical_isostrain_init
do h = 1, size(homogenization_type) do h = 1, size(homogenization_type)
if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle
homog => material_homogenization%get(h) homog => material_homogenization%get(h)
homogMech => homog%get('mechanics') homogMech => homog%get('mechanical')
associate(prm => param(h)) associate(prm => param(h))
prm%N_constituents = homogenization_Nconstituents(h) prm%N_constituents = homogenization_Nconstituents(h)

4
src/lattice.f90
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@ -480,8 +480,8 @@ subroutine lattice_init
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
elasticity => mech%get('elasticity') elasticity => mech%get('elastic')
lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11') lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11')
lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12') lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12')

10
src/phase_damage.f90
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@ -341,21 +341,21 @@ module subroutine damage_results(group,ph)
sourceLoop: do so = 1, phase_Nsources(ph) sourceLoop: do so = 1, phase_Nsources(ph)
if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) & 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)) sourceType: select case (phase_source(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_results(ph,group//'sources/') call isobrittle_results(ph,group//'damage/')
case (DAMAGE_ISODUCTILE_ID) sourceType case (DAMAGE_ISODUCTILE_ID) sourceType
call isoductile_results(ph,group//'sources/') call isoductile_results(ph,group//'damage/')
case (DAMAGE_ANISOBRITTLE_ID) sourceType case (DAMAGE_ANISOBRITTLE_ID) sourceType
call anisobrittle_results(ph,group//'sources/') call anisobrittle_results(ph,group//'damage/')
case (DAMAGE_ANISODUCTILE_ID) sourceType case (DAMAGE_ANISODUCTILE_ID) sourceType
call anisoductile_results(ph,group//'sources/') call anisoductile_results(ph,group//'damage/')
end select sourceType end select sourceType

4
src/phase_damage_anisoductile.f90
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@ -53,8 +53,8 @@ module function anisoductile_init() result(mySources)
do p = 1, phases%length do p = 1, phases%length
if(mySources(p)) then if(mySources(p)) then
phase => phases%get(p) phase => phases%get(p)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
sources => phase%get('damage') 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)) allocate(phase_mechanical_F0(ph)%data(3,3,Nmembers))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
output_constituent(ph)%label = output_asStrings(mech) output_constituent(ph)%label = output_asStrings(mech)
#else #else
output_constituent(ph)%label = mech%get_asStrings('output',defaultVal=emptyStringArray) output_constituent(ph)%label = mech%get_asStrings('output',defaultVal=emptyStringArray)
#endif #endif
elastic => mech%get('elasticity') elastic => mech%get('elastic')
if(elastic%get_asString('type') == 'hooke') then if(elastic%get_asString('type') == 'hooke') then
phase_elasticity(ph) = ELASTICITY_HOOKE_ID phase_elasticity(ph) = ELASTICITY_HOOKE_ID
else else
@ -269,7 +269,7 @@ module subroutine mechanical_init(materials,phases)
if(maxVal(phase_NstiffnessDegradations)/=0) then if(maxVal(phase_NstiffnessDegradations)/=0) then
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList) stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList)
do stiffDegradationCtr = 1, stiffDegradation%length do stiffDegradationCtr = 1, stiffDegradation%length
if(stiffDegradation%get_asString(stiffDegradationCtr) == 'damage') & if(stiffDegradation%get_asString(stiffDegradationCtr) == 'damage') &
@ -398,32 +398,31 @@ module subroutine mechanical_results(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph 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)) select case(phase_plasticity(ph))
case(PLASTICITY_ISOTROPIC_ID) case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(ph,group//'plastic/') call plastic_isotropic_results(ph,group//'mechanical/')
case(PLASTICITY_PHENOPOWERLAW_ID) case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(ph,group//'plastic/') call plastic_phenopowerlaw_results(ph,group//'mechanical/')
case(PLASTICITY_KINEHARDENING_ID) case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(ph,group//'plastic/') call plastic_kinehardening_results(ph,group//'mechanical/')
case(PLASTICITY_DISLOTWIN_ID) case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(ph,group//'plastic/') call plastic_dislotwin_results(ph,group//'mechanical/')
case(PLASTICITY_DISLOTUNGSTEN_ID) case(PLASTICITY_DISLOTUNGSTEN_ID)
call plastic_dislotungsten_results(ph,group//'plastic/') call plastic_dislotungsten_results(ph,group//'mechanical/')
case(PLASTICITY_NONLOCAL_ID) case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(ph,group//'plastic/') call plastic_nonlocal_results(ph,group//'mechanical/')
end select end select
call crystallite_results(group,ph)
end subroutine mechanical_results end subroutine mechanical_results
@ -978,35 +977,35 @@ subroutine crystallite_results(group,ph)
character(len=:), allocatable :: structureLabel 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) do ou = 1, size(output_constituent(ph)%label)
select case (output_constituent(ph)%label(ou)) select case (output_constituent(ph)%label(ou))
case('F') 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') 'deformation gradient','1')
case('F_e') 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') 'elastic deformation gradient','1')
case('F_p') 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') 'plastic deformation gradient','1')
case('F_i') 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') 'inelastic deformation gradient','1')
case('L_p') 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') 'plastic velocity gradient','1/s')
case('L_i') 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') 'inelastic velocity gradient','1/s')
case('P') case('P')
call results_writeDataset(group//'/mechanics/',phase_mechanical_P(ph)%data,'P', & call results_writeDataset(group//'/mechanical/',phase_mechanical_P(ph)%data,'P', &
'First Piola-Kirchhoff stress','Pa') 'first Piola-Kirchhoff stress','Pa')
case('S') case('S')
call results_writeDataset(group//'/mechanics/',phase_mechanical_S(ph)%data,'S', & call results_writeDataset(group//'/mechanical/',phase_mechanical_S(ph)%data,'S', &
'Second Piola-Kirchhoff stress','Pa') 'second Piola-Kirchhoff stress','Pa')
case('O') case('O')
select case(lattice_structure(ph)) select case(lattice_structure(ph))
case(lattice_ISO_ID) case(lattice_ISO_ID)
@ -1023,9 +1022,9 @@ subroutine crystallite_results(group,ph)
structureLabel = 'oP' structureLabel = 'oP'
end select end select
selected_rotations = select_rotations(crystallite_orientation,ph) 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)') '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 end select
enddo enddo

4
src/phase_mechanical_eigen.f90
View File

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

2
src/phase_mechanical_eigen_cleavageopening.f90
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@ -27,6 +27,4 @@ module function kinematics_cleavage_opening_init() result(myKinematics)
end function kinematics_cleavage_opening_init end function kinematics_cleavage_opening_init
end submodule cleavageopening end submodule cleavageopening

4
src/phase_mechanical_eigen_slipplaneopening.f90
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@ -61,8 +61,8 @@ module function kinematics_slipplane_opening_init() result(myKinematics)
do p = 1, phases%length do p = 1, phases%length
if(myKinematics(p)) then if(myKinematics(p)) then
phase => phases%get(p) phase => phases%get(p)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
kinematics => phase%get('damage') kinematics => phase%get('damage')

4
src/phase_mechanical_plastic.f90
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@ -449,8 +449,8 @@ function plastic_active(plastic_label) result(active_plastic)
allocate(active_plastic(phases%length), source = .false. ) allocate(active_plastic(phases%length), source = .false. )
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
if(pl%get_asString('type') == plastic_label) active_plastic(ph) = .true. if(pl%get_asString('type') == plastic_label) active_plastic(ph) = .true.
enddo enddo

4
src/phase_mechanical_plastic_dislotungsten.f90
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@ -120,8 +120,8 @@ module function plastic_dislotungsten_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph)) associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(pl) prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_dislotwin.f90
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@ -173,8 +173,8 @@ module function plastic_dislotwin_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph)) associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(pl) prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_isotropic.f90
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@ -85,8 +85,8 @@ module function plastic_isotropic_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph)) associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(pl) prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_kinehardening.f90
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@ -98,8 +98,8 @@ module function plastic_kinehardening_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), dlt => deltaState(ph), stt => state(ph)) associate(prm => param(ph), dot => dotState(ph), dlt => deltaState(ph), stt => state(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(pl) prm%output = output_asStrings(pl)

4
src/phase_mechanical_plastic_nonlocal.f90
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@ -227,8 +227,8 @@ module function plastic_nonlocal_init() result(myPlasticity)
st0 => state0(ph), del => deltaState(ph), dst => microstructure(ph)) st0 => state0(ph), del => deltaState(ph), dst => microstructure(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
phase_localPlasticity(ph) = .not. pl%contains('nonlocal') phase_localPlasticity(ph) = .not. pl%contains('nonlocal')

4
src/phase_mechanical_plastic_phenopowerlaw.f90
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@ -107,8 +107,8 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph)) associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanical')
pl => mech%get('plasticity') pl => mech%get('plastic')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters

23
src/results.f90
View File

@ -105,13 +105,14 @@ subroutine results_addIncrement(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
character(len=pStringLen) :: incChar character(len=pStringLen) :: incChar
write(incChar,'(i10)') inc write(incChar,'(i10)') inc
call results_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar))))) call results_closeGroup(results_addGroup(trim('increment_'//trim(adjustl(incChar)))))
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current') call results_setLink(trim('increment_'//trim(adjustl(incChar))),'current')
call results_addAttribute('time/s',time,trim('inc'//trim(adjustl(incChar)))) call results_addAttribute('t/s',time,trim('increment_'//trim(adjustl(incChar))))
end subroutine results_addIncrement end subroutine results_addIncrement
@ -350,18 +351,17 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
transposed_ = .true. transposed_ = .true.
endif endif
groupHandle = results_openGroup(group)
if(transposed_) then if(transposed_) then
if(size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor' if(size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor'
allocate(dataset_transposed,mold=dataset) allocate(dataset_transposed,mold=dataset)
do i=1,size(dataset_transposed,3) do i=1,size(dataset_transposed,3)
dataset_transposed(:,:,i) = transpose(dataset(:,:,i)) dataset_transposed(:,:,i) = transpose(dataset(:,:,i))
enddo enddo
call HDF5_write(groupHandle,dataset_transposed,label)
else else
allocate(dataset_transposed,source=dataset)
endif
groupHandle = results_openGroup(group)
call HDF5_write(groupHandle,dataset,label) call HDF5_write(groupHandle,dataset,label)
endif
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
@ -732,13 +732,13 @@ subroutine executionStamp(path,description,SIunit)
if (HDF5_objectExists(resultsFile,path)) & if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'Description',description,path) call HDF5_addAttribute(resultsFile,'description',description,path)
if (HDF5_objectExists(resultsFile,path) .and. present(SIunit)) & if (HDF5_objectExists(resultsFile,path) .and. present(SIunit)) &
call HDF5_addAttribute(resultsFile,'Unit',SIunit,path) call HDF5_addAttribute(resultsFile,'unit',SIunit,path)
if (HDF5_objectExists(resultsFile,path)) & if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'Creator','DAMASK '//DAMASKVERSION,path) call HDF5_addAttribute(resultsFile,'creator','DAMASK '//DAMASKVERSION,path)
if (HDF5_objectExists(resultsFile,path)) & if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'Created',now(),path) call HDF5_addAttribute(resultsFile,'created',now(),path)
end subroutine executionStamp end subroutine executionStamp
@ -759,5 +759,4 @@ character(len=24) function now()
end function now end function now
end module results end module results