Merge remote-tracking branch 'origin/development' into 2d-table-yaml
This commit is contained in:
commit
710f5b74b2
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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||||||
Subproject commit 13dfa0ee9d702782f0b7999f3f7fb2384f58d768
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Subproject commit 6abcd3dba91f37c747eae04c6695949e819ec54b
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@ -1,8 +1,8 @@
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||||||
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
|
||||||
|
|
|
@ -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]
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -1,9 +1,9 @@
|
||||||
Air:
|
FreeSurface:
|
||||||
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
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -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]
|
||||||
|
|
|
@ -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
|
||||||
|
@ -20,9 +20,6 @@ Magnesium:
|
||||||
xi_0_sl: [10.0e6, 55.0e6, 0, 60.0e6, 0.0, 60.0e6]
|
xi_0_sl: [10.0e6, 55.0e6, 0, 60.0e6, 0.0, 60.0e6]
|
||||||
xi_inf_sl: [40.0e6, 135.0e6, 0, 150.0e6, 0.0, 150.0e6]
|
xi_inf_sl: [40.0e6, 135.0e6, 0, 150.0e6, 0.0, 150.0e6]
|
||||||
xi_0_tw: [40e6, 0.0, 0.0, 60.0e6]
|
xi_0_tw: [40e6, 0.0, 0.0, 60.0e6]
|
||||||
####################################################
|
|
||||||
# open for discussion
|
|
||||||
####################################################
|
|
||||||
a_sl: 2.25
|
a_sl: 2.25
|
||||||
dot_gamma_0_sl: 0.001
|
dot_gamma_0_sl: 0.001
|
||||||
dot_gamma_0_tw: 0.001
|
dot_gamma_0_tw: 0.001
|
||||||
|
|
|
@ -4,10 +4,10 @@
|
||||||
cpTi:
|
cpTi:
|
||||||
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, 6, 12]
|
N_sl: [3, 3, 0, 6, 12]
|
||||||
a_sl: 2.0
|
a_sl: 2.0
|
||||||
dot_gamma_0_sl: 0.001
|
dot_gamma_0_sl: 0.001
|
||||||
|
|
|
@ -2,7 +2,7 @@
|
||||||
homogenization:
|
homogenization:
|
||||||
SX:
|
SX:
|
||||||
N_constituents: 1
|
N_constituents: 1
|
||||||
mechanics: {type: pass}
|
mechanical: {type: pass}
|
||||||
|
|
||||||
material:
|
material:
|
||||||
- homogenization: SX
|
- homogenization: SX
|
||||||
|
@ -109,10 +109,10 @@ material:
|
||||||
phase:
|
phase:
|
||||||
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
|
||||||
atol_xi: 1.0
|
atol_xi: 1.0
|
||||||
|
|
|
@ -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)
|
||||||
|
|
|
@ -65,7 +65,7 @@ if filenames == []: parser.error('no input file specified.')
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
geom = damask.Grid.load_DREAM3D(name,options.basegroup,options.pointwise)
|
geom = damask.Grid.load_DREAM3D(name,'FeatureIds')
|
||||||
damask.util.croak(geom)
|
damask.util.croak(geom)
|
||||||
|
|
||||||
geom.save_ASCII(os.path.splitext(name)[0]+'.geom')
|
geom.save_ASCII(os.path.splitext(name)[0]+'.geom')
|
||||||
|
|
|
@ -27,11 +27,13 @@ class Colormap(mpl.colors.ListedColormap):
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
[1] DAMASK colormap theory
|
K. Moreland, Proceedings of the 5th International Symposium on Advances in Visual Computing, 2009
|
||||||
https://www.kennethmoreland.com/color-maps/ColorMapsExpanded.pdf
|
https://doi.org/10.1007/978-3-642-10520-3_9
|
||||||
[2] DAMASK colormaps first use
|
|
||||||
|
P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013
|
||||||
https://doi.org/10.1016/j.ijplas.2012.09.012
|
https://doi.org/10.1016/j.ijplas.2012.09.012
|
||||||
[3] Matplotlib colormaps overview
|
|
||||||
|
Matplotlib colormaps overview
|
||||||
https://matplotlib.org/tutorials/colors/colormaps.html
|
https://matplotlib.org/tutorials/colors/colormaps.html
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
@ -524,7 +526,7 @@ class Colormap(mpl.colors.ListedColormap):
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
http://www.ryanjuckett.com/programming/rgb-color-space-conversion
|
https://www.easyrgb.com/en/math.php
|
||||||
|
|
||||||
"""
|
"""
|
||||||
rgb_lin = np.dot(np.array([
|
rgb_lin = np.dot(np.array([
|
||||||
|
@ -544,7 +546,7 @@ class Colormap(mpl.colors.ListedColormap):
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
http://www.ryanjuckett.com/programming/rgb-color-space-conversion
|
https://www.easyrgb.com/en/math.php
|
||||||
|
|
||||||
"""
|
"""
|
||||||
rgb_lin = np.where(rgb>0.04045,((rgb+0.0555)/1.0555)**2.4,rgb/12.92)
|
rgb_lin = np.where(rgb>0.04045,((rgb+0.0555)/1.0555)**2.4,rgb/12.92)
|
||||||
|
|
|
@ -6,6 +6,9 @@ import abc
|
||||||
import numpy as np
|
import numpy as np
|
||||||
import yaml
|
import yaml
|
||||||
|
|
||||||
|
from . import Rotation
|
||||||
|
from . import Orientation
|
||||||
|
|
||||||
class NiceDumper(yaml.SafeDumper):
|
class NiceDumper(yaml.SafeDumper):
|
||||||
"""Make YAML readable for humans."""
|
"""Make YAML readable for humans."""
|
||||||
|
|
||||||
|
@ -20,8 +23,12 @@ class NiceDumper(yaml.SafeDumper):
|
||||||
|
|
||||||
def represent_data(self, data):
|
def represent_data(self, data):
|
||||||
"""Cast Config objects and its subclasses to dict."""
|
"""Cast Config objects and its subclasses to dict."""
|
||||||
return self.represent_data(dict(data)) if isinstance(data, dict) and type(data) != dict else \
|
if isinstance(data, dict) and type(data) != dict:
|
||||||
super().represent_data(data)
|
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):
|
def ignore_aliases(self, data):
|
||||||
"""No references."""
|
"""No references."""
|
||||||
|
|
|
@ -1,4 +1,7 @@
|
||||||
|
import os.path
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
import h5py
|
||||||
|
|
||||||
from . import Config
|
from . import Config
|
||||||
from . import Rotation
|
from . import Rotation
|
||||||
|
@ -49,7 +52,7 @@ class ConfigMaterial(Config):
|
||||||
@staticmethod
|
@staticmethod
|
||||||
def from_table(table,**kwargs):
|
def from_table(table,**kwargs):
|
||||||
"""
|
"""
|
||||||
Load from an ASCII table.
|
Generate from an ASCII table.
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
|
@ -94,6 +97,79 @@ class ConfigMaterial(Config):
|
||||||
return ConfigMaterial().material_add(**kwargs_)
|
return ConfigMaterial().material_add(**kwargs_)
|
||||||
|
|
||||||
|
|
||||||
|
@staticmethod
|
||||||
|
def load_DREAM3D(fname,
|
||||||
|
grain_data=None,cell_data=None,cell_ensemble_data='CellEnsembleData',
|
||||||
|
phases='Phases',Euler_angles='EulerAngles',phase_names='PhaseName',
|
||||||
|
base_group=None):
|
||||||
|
"""
|
||||||
|
Load DREAM.3D (HDF5) file.
|
||||||
|
|
||||||
|
Data in DREAM.3D files can be stored per cell ('CellData')
|
||||||
|
and/or per grain ('Grain Data'). Per default, cell-wise data
|
||||||
|
is assumed.
|
||||||
|
|
||||||
|
damask.Grid.load_DREAM3D allows to get the corresponding geometry
|
||||||
|
for the grid solver.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
fname : str
|
||||||
|
Filename of the DREAM.3D (HDF5) file.
|
||||||
|
grain_data : str
|
||||||
|
Name of the group (folder) containing grain-wise data. Defaults
|
||||||
|
to None, in which case cell-wise data is used.
|
||||||
|
cell_data : str
|
||||||
|
Name of the group (folder) containing cell-wise data. Defaults to
|
||||||
|
None in wich case it is automatically detected.
|
||||||
|
cell_ensemble_data : str
|
||||||
|
Name of the group (folder) containing data of cell ensembles. This
|
||||||
|
group is used to inquire the name of the phases. Phases will get
|
||||||
|
numeric IDs if this group is not found. Defaults to 'CellEnsembleData'.
|
||||||
|
phases : str
|
||||||
|
Name of the dataset containing the phase ID (cell-wise or grain-wise).
|
||||||
|
Defaults to 'Phases'.
|
||||||
|
Euler_angles : str
|
||||||
|
Name of the dataset containing the crystallographic orientation as
|
||||||
|
Euler angles in radians (cell-wise or grain-wise). Defaults to 'EulerAngles'.
|
||||||
|
phase_names : str
|
||||||
|
Name of the dataset containing the phase names. Phases will get
|
||||||
|
numeric IDs if this dataset is not found. Defaults to 'PhaseName'.
|
||||||
|
base_group : str
|
||||||
|
Path to the group (folder) that contains geometry (_SIMPL_GEOMETRY),
|
||||||
|
and grain- or cell-wise data. Defaults to None, in which case
|
||||||
|
it is set as the path that contains _SIMPL_GEOMETRY/SPACING.
|
||||||
|
|
||||||
|
"""
|
||||||
|
b = util.DREAM3D_base_group(fname) if base_group is None else base_group
|
||||||
|
c = util.DREAM3D_cell_data_group(fname) if cell_data is None else cell_data
|
||||||
|
f = h5py.File(fname,'r')
|
||||||
|
|
||||||
|
if grain_data is None:
|
||||||
|
phase = f[os.path.join(b,c,phases)][()].flatten()
|
||||||
|
O = Rotation.from_Euler_angles(f[os.path.join(b,c,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
|
||||||
|
_,idx = np.unique(np.hstack([O,phase.reshape(-1,1)]),return_index=True,axis=0)
|
||||||
|
idx = np.sort(idx)
|
||||||
|
else:
|
||||||
|
phase = f[os.path.join(b,grain_data,phases)][()]
|
||||||
|
O = Rotation.from_Euler_angles(f[os.path.join(b,grain_data,Euler_angles)]).as_quaternion() # noqa
|
||||||
|
idx = np.arange(phase.size)
|
||||||
|
|
||||||
|
if cell_ensemble_data is not None and phase_names is not None:
|
||||||
|
try:
|
||||||
|
names = np.array([s.decode() for s in f[os.path.join(b,cell_ensemble_data,phase_names)]])
|
||||||
|
phase = names[phase]
|
||||||
|
except KeyError:
|
||||||
|
pass
|
||||||
|
|
||||||
|
|
||||||
|
base_config = ConfigMaterial({'phase':{k if isinstance(k,int) else str(k):'t.b.d.' for k in np.unique(phase)},
|
||||||
|
'homogenization':{'direct':{'N_constituents':1}}})
|
||||||
|
constituent = {k:np.atleast_1d(v[idx].squeeze()) for k,v in zip(['O','phase'],[O,phase])}
|
||||||
|
|
||||||
|
return base_config.material_add(**constituent,homogenization='direct')
|
||||||
|
|
||||||
|
|
||||||
@property
|
@property
|
||||||
def is_complete(self):
|
def is_complete(self):
|
||||||
"""Check for completeness."""
|
"""Check for completeness."""
|
||||||
|
|
|
@ -256,35 +256,62 @@ class Grid:
|
||||||
|
|
||||||
|
|
||||||
@staticmethod
|
@staticmethod
|
||||||
def load_DREAM3D(fname,base_group,point_data=None,material='FeatureIds'):
|
def load_DREAM3D(fname,
|
||||||
|
feature_IDs=None,cell_data=None,
|
||||||
|
phases='Phases',Euler_angles='EulerAngles',
|
||||||
|
base_group=None):
|
||||||
"""
|
"""
|
||||||
Load from DREAM.3D file.
|
Load DREAM.3D (HDF5) file.
|
||||||
|
|
||||||
|
Data in DREAM.3D files can be stored per cell ('CellData')
|
||||||
|
and/or per grain ('Grain Data'). Per default, cell-wise data
|
||||||
|
is assumed.
|
||||||
|
|
||||||
|
damask.ConfigMaterial.load_DREAM3D allows to get the
|
||||||
|
corresponding material definition.
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
fname : str
|
fname : str
|
||||||
Filename of the DREAM.3D file
|
Filename of the DREAM.3D (HDF5) file.
|
||||||
|
feature_IDs : str
|
||||||
|
Name of the dataset containing the mapping between cells and
|
||||||
|
grain-wise data. Defaults to 'None', in which case cell-wise
|
||||||
|
data is used.
|
||||||
|
cell_data : str
|
||||||
|
Name of the group (folder) containing cell-wise data. Defaults to
|
||||||
|
None in wich case it is automatically detected.
|
||||||
|
phases : str
|
||||||
|
Name of the dataset containing the phase ID. It is not used for
|
||||||
|
grain-wise data, i.e. when feature_IDs is not None.
|
||||||
|
Defaults to 'Phases'.
|
||||||
|
Euler_angles : str
|
||||||
|
Name of the dataset containing the crystallographic orientation as
|
||||||
|
Euler angles in radians It is not used for grain-wise data, i.e.
|
||||||
|
when feature_IDs is not None. Defaults to 'EulerAngles'.
|
||||||
base_group : str
|
base_group : str
|
||||||
Name of the group (folder) below 'DataContainers',
|
Path to the group (folder) that contains geometry (_SIMPL_GEOMETRY),
|
||||||
for example 'SyntheticVolumeDataContainer'.
|
and grain- or cell-wise data. Defaults to None, in which case
|
||||||
point_data : str, optional
|
it is set as the path that contains _SIMPL_GEOMETRY/SPACING.
|
||||||
Name of the group (folder) containing the pointwise material data,
|
|
||||||
for example 'CellData'. Defaults to None, in which case points are consecutively numbered.
|
|
||||||
material : str, optional
|
|
||||||
Name of the dataset containing the material ID.
|
|
||||||
Defaults to 'FeatureIds'.
|
|
||||||
|
|
||||||
"""
|
"""
|
||||||
root_dir ='DataContainers'
|
b = util.DREAM3D_base_group(fname) if base_group is None else base_group
|
||||||
|
c = util.DREAM3D_cell_data_group(fname) if cell_data is None else cell_data
|
||||||
f = h5py.File(fname, 'r')
|
f = h5py.File(fname, 'r')
|
||||||
g = os.path.join(root_dir,base_group,'_SIMPL_GEOMETRY')
|
|
||||||
cells = f[os.path.join(g,'DIMENSIONS')][()]
|
|
||||||
size = f[os.path.join(g,'SPACING')][()] * cells
|
|
||||||
origin = f[os.path.join(g,'ORIGIN')][()]
|
|
||||||
|
|
||||||
ma = np.arange(cells.prod(),dtype=int) \
|
cells = f[os.path.join(b,'_SIMPL_GEOMETRY','DIMENSIONS')][()]
|
||||||
if point_data is None else \
|
size = f[os.path.join(b,'_SIMPL_GEOMETRY','SPACING')] * cells
|
||||||
np.reshape(f[os.path.join(root_dir,base_group,point_data,material)],cells.prod())
|
origin = f[os.path.join(b,'_SIMPL_GEOMETRY','ORIGIN')][()]
|
||||||
|
|
||||||
|
if feature_IDs is None:
|
||||||
|
phase = f[os.path.join(b,c,phases)][()].reshape(-1,1)
|
||||||
|
O = Rotation.from_Euler_angles(f[os.path.join(b,c,Euler_angles)]).as_quaternion().reshape(-1,4) # noqa
|
||||||
|
unique,unique_inverse = np.unique(np.hstack([O,phase]),return_inverse=True,axis=0)
|
||||||
|
ma = np.arange(cells.prod()) if len(unique) == cells.prod() else \
|
||||||
|
np.arange(unique.size)[np.argsort(pd.unique(unique_inverse))][unique_inverse]
|
||||||
|
else:
|
||||||
|
ma = f[os.path.join(b,c,feature_IDs)][()].flatten()
|
||||||
|
|
||||||
return Grid(ma.reshape(cells,order='F'),size,origin,util.execution_stamp('Grid','load_DREAM3D'))
|
return Grid(ma.reshape(cells,order='F'),size,origin,util.execution_stamp('Grid','load_DREAM3D'))
|
||||||
|
|
||||||
|
@ -482,18 +509,13 @@ class Grid:
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
Sébastien B G Blanquer, Maike Werner, Markus Hannula, Shahriar Sharifi,
|
S.B.G. Blanquer et al., Biofabrication 9(2):025001, 2017
|
||||||
Guillaume P R Lajoinie, David Eglin, Jari Hyttinen, André A Poot, and Dirk W Grijpma
|
|
||||||
Surface curvature in triply-periodic minimal surface architectures as
|
|
||||||
a distinct design parameter in preparing advanced tissue engineering scaffolds
|
|
||||||
https://doi.org/10.1088/1758-5090/aa6553
|
https://doi.org/10.1088/1758-5090/aa6553
|
||||||
|
|
||||||
Meinhard Wohlgemuth, Nataliya Yufa, James Hoffman, and Edwin L. Thomas
|
M. Wohlgemuth et al., Macromolecules 34(17):6083-6089, 2001
|
||||||
Triply Periodic Bicontinuous Cubic Microdomain Morphologies by Symmetries
|
|
||||||
https://doi.org/10.1021/ma0019499
|
https://doi.org/10.1021/ma0019499
|
||||||
|
|
||||||
Meng-Ting Hsieh, Lorenzo Valdevit
|
M.-T. Hsieh and L. Valdevit, Software Impacts 6:100026, 2020
|
||||||
Minisurf – A minimal surface generator for finite element modeling and additive manufacturing
|
|
||||||
https://doi.org/10.1016/j.simpa.2020.100026
|
https://doi.org/10.1016/j.simpa.2020.100026
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
|
|
@ -742,8 +742,7 @@ class Orientation(Rotation):
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
C.T. Young and J.L. Lytton, J. Appl. Phys. 43:1408–1417, 1972
|
C.T. Young and J.L. Lytton, Journal of Applied Physics 43:1408–1417, 1972
|
||||||
"Computer Generation and Identification of Kikuchi Projections"
|
|
||||||
https://doi.org/10.1063/1.1661333
|
https://doi.org/10.1063/1.1661333
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
@ -1070,8 +1069,7 @@ class Orientation(Rotation):
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
J.C. Glez and J. Driver, J. Appl. Cryst. 34:280-288, 2001
|
J.C. Glez and J. Driver, Journal of Applied Crystallography 34:280-288, 2001
|
||||||
"Orientation distribution analysis in deformed grains"
|
|
||||||
https://doi.org/10.1107/S0021889801003077
|
https://doi.org/10.1107/S0021889801003077
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
|
|
@ -46,7 +46,7 @@ class Result:
|
||||||
self.version_major = f.attrs['DADF5_version_major']
|
self.version_major = f.attrs['DADF5_version_major']
|
||||||
self.version_minor = f.attrs['DADF5_version_minor']
|
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}')
|
raise TypeError(f'Unsupported DADF5 version {self.version_major}.{self.version_minor}')
|
||||||
|
|
||||||
self.structured = 'grid' in f['geometry'].attrs.keys() or \
|
self.structured = 'grid' in f['geometry'].attrs.keys() or \
|
||||||
|
@ -60,15 +60,20 @@ 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'])
|
grp = 'mapping' if self.version_minor < 12 else 'cell_to'
|
||||||
|
|
||||||
self.homogenizations = [m.decode() for m in np.unique(f['mapping/homogenization']['Name'])]
|
self.N_materialpoints, self.N_constituents = np.shape(f[f'{grp}/phase'])
|
||||||
self.phases = [c.decode() for c in np.unique(f['mapping/phase']['Name'])]
|
|
||||||
|
self.homogenizations = [m.decode() for m in np.unique(f[f'{grp}/homogenization']
|
||||||
|
['Name' if self.version_minor < 12 else 'label'])]
|
||||||
|
self.phases = [c.decode() for c in np.unique(f[f'{grp}/phase']
|
||||||
|
['Name' if self.version_minor < 12 else 'label'])]
|
||||||
|
|
||||||
self.out_type_ph = []
|
self.out_type_ph = []
|
||||||
for c in self.phases:
|
for c in self.phases:
|
||||||
|
@ -137,9 +142,10 @@ 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 == ['*']:
|
||||||
|
@ -204,7 +210,7 @@ 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.
|
||||||
|
|
||||||
|
@ -216,9 +222,11 @@ 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
|
||||||
|
@ -368,6 +376,10 @@ class Result:
|
||||||
tbl = {} if split else None
|
tbl = {} if split else None
|
||||||
inGeom = {}
|
inGeom = {}
|
||||||
inData = {}
|
inData = {}
|
||||||
|
# compatibility hack
|
||||||
|
name = 'Name' if self.version_minor < 12 else 'label'
|
||||||
|
member = 'Position' if self.version_minor < 12 else 'entry'
|
||||||
|
grp = 'mapping' if self.version_minor < 12 else 'cell_to'
|
||||||
with h5py.File(self.fname,'r') as f:
|
with h5py.File(self.fname,'r') as f:
|
||||||
for dataset in sets:
|
for dataset in sets:
|
||||||
for group in self.groups_with_datasets(dataset):
|
for group in self.groups_with_datasets(dataset):
|
||||||
|
@ -378,11 +390,11 @@ class Result:
|
||||||
if prop == 'geometry':
|
if prop == 'geometry':
|
||||||
inGeom[key] = inData[key] = np.arange(self.N_materialpoints)
|
inGeom[key] = inData[key] = np.arange(self.N_materialpoints)
|
||||||
elif prop == 'phase':
|
elif prop == 'phase':
|
||||||
inGeom[key] = np.where(f['mapping/phase'][:,constituent]['Name'] == str.encode(name))[0]
|
inGeom[key] = np.where(f[f'{grp}/phase'][:,constituent][name] == str.encode(name))[0]
|
||||||
inData[key] = f['mapping/phase'][inGeom[key],constituent]['Position']
|
inData[key] = f[f'{grp}/phase'][inGeom[key],constituent][member]
|
||||||
elif prop == 'homogenization':
|
elif prop == 'homogenization':
|
||||||
inGeom[key] = np.where(f['mapping/homogenization']['Name'] == str.encode(name))[0]
|
inGeom[key] = np.where(f[f'{grp}/homogenization'][name] == str.encode(name))[0]
|
||||||
inData[key] = f['mapping/homogenization'][inGeom[key].tolist()]['Position']
|
inData[key] = f[f'{grp}/homogenization'][inGeom[key].tolist()][member]
|
||||||
shape = np.shape(f[path])
|
shape = np.shape(f[path])
|
||||||
data = np.full((self.N_materialpoints,) + (shape[1:] if len(shape)>1 else (1,)),
|
data = np.full((self.N_materialpoints,) + (shape[1:] if len(shape)>1 else (1,)),
|
||||||
np.nan,
|
np.nan,
|
||||||
|
@ -456,6 +468,9 @@ 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'):
|
||||||
|
@ -470,13 +485,13 @@ 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
|
||||||
|
@ -529,6 +544,10 @@ class Result:
|
||||||
Defaults to False.
|
Defaults to False.
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
# compatibility hack
|
||||||
|
name = 'Name' if self.version_minor < 12 else 'label'
|
||||||
|
member = 'Position' if self.version_minor < 12 else 'entry'
|
||||||
|
grp = 'mapping' if self.version_minor < 12 else 'cell_to'
|
||||||
with h5py.File(self.fname,'r') as f:
|
with h5py.File(self.fname,'r') as f:
|
||||||
shape = (self.N_materialpoints,) + np.shape(f[path[0]])[1:]
|
shape = (self.N_materialpoints,) + np.shape(f[path[0]])[1:]
|
||||||
if len(shape) == 1: shape = shape +(1,)
|
if len(shape) == 1: shape = shape +(1,)
|
||||||
|
@ -540,17 +559,17 @@ class Result:
|
||||||
dataset = np.array(f[pa])
|
dataset = np.array(f[pa])
|
||||||
continue
|
continue
|
||||||
|
|
||||||
p = np.where(f['mapping/phase'][:,c]['Name'] == str.encode(label))[0]
|
p = np.where(f[f'{grp}/phase'][:,c][name] == str.encode(label))[0]
|
||||||
if len(p)>0:
|
if len(p)>0:
|
||||||
u = (f['mapping/phase']['Position'][p,c])
|
u = (f[f'{grp}/phase'][member][p,c])
|
||||||
a = np.array(f[pa])
|
a = np.array(f[pa])
|
||||||
if len(a.shape) == 1:
|
if len(a.shape) == 1:
|
||||||
a=a.reshape([a.shape[0],1])
|
a=a.reshape([a.shape[0],1])
|
||||||
dataset[p,:] = a[u,:]
|
dataset[p,:] = a[u,:]
|
||||||
|
|
||||||
p = np.where(f['mapping/homogenization']['Name'] == str.encode(label))[0]
|
p = np.where(f[f'{grp}/homogenization'][name] == str.encode(label))[0]
|
||||||
if len(p)>0:
|
if len(p)>0:
|
||||||
u = (f['mapping/homogenization']['Position'][p.tolist()])
|
u = (f[f'{grp}/homogenization'][member][p.tolist()])
|
||||||
a = np.array(f[pa])
|
a = np.array(f[pa])
|
||||||
if len(a.shape) == 1:
|
if len(a.shape) == 1:
|
||||||
a=a.reshape([a.shape[0],1])
|
a=a.reshape([a.shape[0],1])
|
||||||
|
@ -586,9 +605,9 @@ 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):
|
||||||
|
@ -614,9 +633,9 @@ 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):
|
||||||
|
@ -646,11 +665,11 @@ 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'):
|
||||||
|
@ -674,9 +693,9 @@ 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):
|
||||||
|
@ -698,9 +717,9 @@ 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):
|
||||||
|
@ -719,19 +738,19 @@ 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'):
|
||||||
|
@ -761,10 +780,10 @@ 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'):
|
||||||
|
@ -787,9 +806,9 @@ 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:
|
||||||
|
@ -799,10 +818,10 @@ 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'):
|
||||||
|
@ -827,9 +846,9 @@ 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):
|
||||||
|
@ -849,9 +868,9 @@ 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}')
|
||||||
|
@ -861,9 +880,9 @@ 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):
|
||||||
|
@ -900,9 +919,9 @@ 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):
|
||||||
|
@ -926,11 +945,11 @@ 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'):
|
||||||
|
@ -968,10 +987,10 @@ 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):
|
||||||
|
@ -997,9 +1016,9 @@ 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):
|
||||||
|
@ -1021,9 +1040,9 @@ 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):
|
||||||
|
@ -1045,9 +1064,9 @@ 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):
|
||||||
|
@ -1076,10 +1095,10 @@ 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'):
|
||||||
|
@ -1153,8 +1172,7 @@ 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
|
||||||
|
@ -1167,14 +1185,14 @@ 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:
|
||||||
|
@ -1192,6 +1210,8 @@ 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')
|
||||||
|
|
||||||
|
@ -1273,7 +1293,7 @@ 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}',
|
||||||
|
@ -1317,7 +1337,10 @@ 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'])):
|
||||||
|
|
||||||
|
@ -1327,21 +1350,24 @@ 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']: # compatibility 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()
|
||||||
|
@ -1352,10 +1378,10 @@ 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)}')
|
||||||
|
|
|
@ -357,10 +357,8 @@ class Rotation:
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
Quaternion averaging
|
F. Landis Markley et al., Journal of Guidance, Control, and Dynamics 30(4):1193-1197, 2007
|
||||||
F. Landis Markley, Yang Cheng, John L. Crassidis, Yaakov Oshman
|
https://doi.org/10.2514/1.28949
|
||||||
Journal of Guidance, Control, and Dynamics 30(4):1193-1197, 2007
|
|
||||||
10.2514/1.28949
|
|
||||||
|
|
||||||
"""
|
"""
|
||||||
def _M(quat):
|
def _M(quat):
|
||||||
|
@ -859,7 +857,7 @@ class Rotation:
|
||||||
|
|
||||||
References
|
References
|
||||||
----------
|
----------
|
||||||
P. Eisenlohr, F. Roters, Computational Materials Science 42(4), 670-678, 2008
|
P. Eisenlohr and F. Roters, Computational Materials Science 42(4):670-678, 2008
|
||||||
https://doi.org/10.1016/j.commatsci.2007.09.015
|
https://doi.org/10.1016/j.commatsci.2007.09.015
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
|
|
@ -9,6 +9,7 @@ from functools import reduce
|
||||||
from optparse import Option
|
from optparse import Option
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
import h5py
|
||||||
|
|
||||||
from . import version
|
from . import version
|
||||||
|
|
||||||
|
@ -27,7 +28,8 @@ __all__=[
|
||||||
'extendableOption',
|
'extendableOption',
|
||||||
'execution_stamp',
|
'execution_stamp',
|
||||||
'shapeshifter', 'shapeblender',
|
'shapeshifter', 'shapeblender',
|
||||||
'extend_docstring', 'extended_docstring'
|
'extend_docstring', 'extended_docstring',
|
||||||
|
'DREAM3D_base_group', 'DREAM3D_cell_data_group'
|
||||||
]
|
]
|
||||||
|
|
||||||
####################################################################################################
|
####################################################################################################
|
||||||
|
@ -376,6 +378,53 @@ def extended_docstring(f,extra_docstring):
|
||||||
return _decorator
|
return _decorator
|
||||||
|
|
||||||
|
|
||||||
|
def DREAM3D_base_group(fname):
|
||||||
|
"""
|
||||||
|
Determine the base group of a DREAM.3D file.
|
||||||
|
|
||||||
|
The base group is defined as the group (folder) that contains
|
||||||
|
a 'SPACING' dataset in a '_SIMPL_GEOMETRY' group.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
fname : str
|
||||||
|
Filename of the DREAM.3D (HDF5) file.
|
||||||
|
|
||||||
|
"""
|
||||||
|
with h5py.File(fname,'r') as f:
|
||||||
|
base_group = f.visit(lambda path: path.rsplit('/',2)[0] if '_SIMPL_GEOMETRY/SPACING' in path else None)
|
||||||
|
|
||||||
|
if base_group is None:
|
||||||
|
raise ValueError(f'Could not determine base group in file {fname}.')
|
||||||
|
|
||||||
|
return base_group
|
||||||
|
|
||||||
|
def DREAM3D_cell_data_group(fname):
|
||||||
|
"""
|
||||||
|
Determine the cell data group of a DREAM.3D file.
|
||||||
|
|
||||||
|
The cell data group is defined as the group (folder) that contains
|
||||||
|
a dataset in the base group whose length matches the total number
|
||||||
|
of points as specified in '_SIMPL_GEOMETRY/DIMENSIONS'.
|
||||||
|
|
||||||
|
Parameters
|
||||||
|
----------
|
||||||
|
fname : str
|
||||||
|
Filename of the DREAM.3D (HDF5) file.
|
||||||
|
|
||||||
|
"""
|
||||||
|
base_group = DREAM3D_base_group(fname)
|
||||||
|
with h5py.File(fname,'r') as f:
|
||||||
|
cells = tuple(f[os.path.join(base_group,'_SIMPL_GEOMETRY','DIMENSIONS')][()][::-1])
|
||||||
|
cell_data_group = f[base_group].visititems(lambda path,obj: path.split('/')[0] \
|
||||||
|
if isinstance(obj,h5py._hl.dataset.Dataset) and np.shape(obj)[:-1] == cells \
|
||||||
|
else None)
|
||||||
|
|
||||||
|
if cell_data_group is None:
|
||||||
|
raise ValueError(f'Could not determine cell data group in file {fname}/{base_group}.')
|
||||||
|
|
||||||
|
return cell_data_group
|
||||||
|
|
||||||
####################################################################################################
|
####################################################################################################
|
||||||
# Classes
|
# Classes
|
||||||
####################################################################################################
|
####################################################################################################
|
||||||
|
|
|
@ -0,0 +1 @@
|
||||||
|
../Grid/2phase_irregularGrid.dream3d
|
|
@ -0,0 +1 @@
|
||||||
|
../Grid/2phase_irregularGrid.json
|
|
@ -0,0 +1 @@
|
||||||
|
../Grid/2phase_irregularGrid.xdmf
|
|
@ -0,0 +1 @@
|
||||||
|
../Grid/measured.dream3d
|
File diff suppressed because it is too large
Load Diff
|
@ -0,0 +1 @@
|
||||||
|
../Grid/measured.xdmf
|
Binary file not shown.
|
@ -0,0 +1,764 @@
|
||||||
|
{
|
||||||
|
"0": {
|
||||||
|
"CellEnsembleAttributeMatrixName": "CellEnsembleData",
|
||||||
|
"CrystalStructuresArrayName": "CrystalStructures",
|
||||||
|
"Filter_Enabled": true,
|
||||||
|
"Filter_Human_Label": "StatsGenerator",
|
||||||
|
"Filter_Name": "StatsGeneratorFilter",
|
||||||
|
"Filter_Uuid": "{f642e217-4722-5dd8-9df9-cee71e7b26ba}",
|
||||||
|
"PhaseNamesArrayName": "PhaseName",
|
||||||
|
"PhaseTypesArrayName": "PhaseTypes",
|
||||||
|
"StatsDataArray": {
|
||||||
|
"1": {
|
||||||
|
"AxisODF-Weights": {
|
||||||
|
},
|
||||||
|
"Bin Count": 34,
|
||||||
|
"BinNumber": [
|
||||||
|
0.03019738383591175,
|
||||||
|
1.031197428703308,
|
||||||
|
2.0321974754333496,
|
||||||
|
3.0331974029541016,
|
||||||
|
4.0341973304748535,
|
||||||
|
5.0351972579956055,
|
||||||
|
6.036197185516357,
|
||||||
|
7.037197113037109,
|
||||||
|
8.03819751739502,
|
||||||
|
9.03919792175293,
|
||||||
|
10.04019832611084,
|
||||||
|
11.04119873046875,
|
||||||
|
12.04219913482666,
|
||||||
|
13.04319953918457,
|
||||||
|
14.04419994354248,
|
||||||
|
15.04520034790039,
|
||||||
|
16.046199798583984,
|
||||||
|
17.047199249267578,
|
||||||
|
18.048198699951172,
|
||||||
|
19.049198150634766,
|
||||||
|
20.05019760131836,
|
||||||
|
21.051197052001953,
|
||||||
|
22.052196502685547,
|
||||||
|
23.05319595336914,
|
||||||
|
24.054195404052734,
|
||||||
|
25.055194854736328,
|
||||||
|
26.056194305419922,
|
||||||
|
27.057193756103516,
|
||||||
|
28.05819320678711,
|
||||||
|
29.059192657470703,
|
||||||
|
30.060192108154297,
|
||||||
|
31.06119155883789,
|
||||||
|
32.062191009521484,
|
||||||
|
33.06319046020508
|
||||||
|
],
|
||||||
|
"BoundaryArea": 0,
|
||||||
|
"Crystal Symmetry": 1,
|
||||||
|
"FeatureSize Distribution": {
|
||||||
|
"Average": 0.5,
|
||||||
|
"Standard Deviation": 1
|
||||||
|
},
|
||||||
|
"FeatureSize Vs B Over A Distributions": {
|
||||||
|
"Alpha": [
|
||||||
|
15.845513343811035,
|
||||||
|
15.281289100646973,
|
||||||
|
15.406131744384766,
|
||||||
|
15.695631980895996
|
||||||
|
],
|
||||||
|
"Beta": [
|
||||||
|
1.5363599061965942,
|
||||||
|
1.3575199842453003,
|
||||||
|
1.2908644676208496,
|
||||||
|
1.6510697603225708
|
||||||
|
],
|
||||||
|
"Distribution Type": "Beta Distribution"
|
||||||
|
},
|
||||||
|
"FeatureSize Vs C Over A Distributions": {
|
||||||
|
"Alpha": [
|
||||||
|
15.83090591430664,
|
||||||
|
15.119057655334473,
|
||||||
|
15.210259437561035,
|
||||||
|
15.403964042663574
|
||||||
|
],
|
||||||
|
"Beta": [
|
||||||
|
1.4798208475112915,
|
||||||
|
1.439164638519287,
|
||||||
|
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||||||
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
@ -0,0 +1,42 @@
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
2phase_irregularGrid.dream3d:/DataContainers/SyntheticVolumeDataContainer/CellData/Phases
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
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Binary file not shown.
File diff suppressed because one or more lines are too long
|
@ -0,0 +1,77 @@
|
||||||
|
<?xml version="1.0"?>
|
||||||
|
<!DOCTYPE Xdmf SYSTEM "Xdmf.dtd"[]>
|
||||||
|
<Xdmf xmlns:xi="http://www.w3.org/2003/XInclude" Version="2.2">
|
||||||
|
<Domain>
|
||||||
|
<!-- *************** START OF Small IN100 *************** -->
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
<!-- Origin Z, Y, X -->
|
||||||
|
<DataItem Format="XML" Dimensions="3">0 35 -294.7</DataItem>
|
||||||
|
<!-- DxDyDz (Spacing/Resolution) Z, Y, X -->
|
||||||
|
<DataItem Format="XML" Dimensions="3">0.35 0.35 0.35</DataItem>
|
||||||
|
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|
||||||
|
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|
||||||
|
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|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/Confidence Index
|
||||||
|
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|
||||||
|
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|
||||||
|
<Attribute Name="EulerAngles" AttributeType="Vector" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 3" NumberType="Float" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/EulerAngles
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="FeatureIds" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Int" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/FeatureIds
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="Fit" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Float" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/Fit
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="IPFColor" AttributeType="Vector" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 3" NumberType="UChar" Precision="1" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/IPFColor
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="Image Quality" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Float" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/Image Quality
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="Mask" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="uchar" Precision="1" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/Mask
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="ParentIds" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Int" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/ParentIds
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="Phases" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Int" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/Phases
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="SEM Signal" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Float" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/SEM Signal
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="X Position" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Float" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/X Position
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
<Attribute Name="Y Position" AttributeType="Scalar" Center="Cell">
|
||||||
|
<DataItem Format="HDF" Dimensions="1 101 201 1" NumberType="Float" Precision="4" >
|
||||||
|
measured.dream3d:/DataContainers/Small IN100/EBSD Scan Data/Y Position
|
||||||
|
</DataItem>
|
||||||
|
</Attribute>
|
||||||
|
</Grid>
|
||||||
|
<!-- *************** END OF Small IN100 *************** -->
|
||||||
|
</Domain>
|
||||||
|
</Xdmf>
|
Binary file not shown.
|
@ -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
|
||||||
|
|
Binary file not shown.
File diff suppressed because it is too large
Load Diff
|
@ -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
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -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:
|
||||||
|
|
||||||
|
@ -51,3 +53,7 @@ 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()))
|
||||||
|
|
|
@ -1,11 +1,11 @@
|
||||||
import os
|
import os
|
||||||
|
|
||||||
import pytest
|
import pytest
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
||||||
from damask import ConfigMaterial
|
from damask import ConfigMaterial
|
||||||
from damask import Table
|
from damask import Table
|
||||||
from damask import Rotation
|
from damask import Rotation
|
||||||
|
from damask import Grid
|
||||||
|
|
||||||
@pytest.fixture
|
@pytest.fixture
|
||||||
def ref_path(ref_path_base):
|
def ref_path(ref_path_base):
|
||||||
|
@ -108,3 +108,35 @@ class TestConfigMaterial:
|
||||||
m = ConfigMaterial().material_add(**kw)
|
m = ConfigMaterial().material_add(**kw)
|
||||||
assert len(m['material']) == N
|
assert len(m['material']) == N
|
||||||
assert len(m['material'][0]['constituents']) == n
|
assert len(m['material'][0]['constituents']) == n
|
||||||
|
|
||||||
|
|
||||||
|
@pytest.mark.parametrize('cell_ensemble_data',[None,'CellEnsembleData'])
|
||||||
|
def test_load_DREAM3D(self,ref_path,cell_ensemble_data):
|
||||||
|
grain_c = ConfigMaterial.load_DREAM3D(ref_path/'2phase_irregularGrid.dream3d','Grain Data',
|
||||||
|
cell_ensemble_data = cell_ensemble_data)
|
||||||
|
point_c = ConfigMaterial.load_DREAM3D(ref_path/'2phase_irregularGrid.dream3d',
|
||||||
|
cell_ensemble_data = cell_ensemble_data)
|
||||||
|
|
||||||
|
assert point_c.is_valid and grain_c.is_valid and \
|
||||||
|
len(point_c['material'])+1 == len(grain_c['material'])
|
||||||
|
|
||||||
|
grain_m = Grid.load_DREAM3D(ref_path/'2phase_irregularGrid.dream3d','FeatureIds').material.flatten()
|
||||||
|
point_m = Grid.load_DREAM3D(ref_path/'2phase_irregularGrid.dream3d').material.flatten()
|
||||||
|
|
||||||
|
for i in np.unique(point_m):
|
||||||
|
j = int(grain_m[(point_m==i).nonzero()[0][0]])
|
||||||
|
assert np.allclose(point_c['material'][i]['constituents'][0]['O'],
|
||||||
|
grain_c['material'][j]['constituents'][0]['O'])
|
||||||
|
assert point_c['material'][i]['constituents'][0]['phase'] == \
|
||||||
|
grain_c['material'][j]['constituents'][0]['phase']
|
||||||
|
|
||||||
|
|
||||||
|
def test_load_DREAM3D_reference(self,tmp_path,ref_path,update):
|
||||||
|
cur = ConfigMaterial.load_DREAM3D(ref_path/'measured.dream3d')
|
||||||
|
ref = ConfigMaterial.load(ref_path/'measured.material_yaml')
|
||||||
|
if update:
|
||||||
|
cur.save(ref_path/'measured.material_yaml')
|
||||||
|
for i,m in enumerate(ref['material']):
|
||||||
|
assert Rotation(m['constituents'][0]['O']) == \
|
||||||
|
Rotation(cur['material'][i]['constituents'][0]['O'])
|
||||||
|
assert cur.is_valid and cur['phase'] == ref['phase'] and cur['homogenization'] == ref['homogenization']
|
||||||
|
|
|
@ -420,12 +420,31 @@ class TestGrid:
|
||||||
t = Table(np.column_stack((coords.reshape(-1,3,order='F'),grid.material.flatten(order='F'))),{'c':3,'m':1})
|
t = Table(np.column_stack((coords.reshape(-1,3,order='F'),grid.material.flatten(order='F'))),{'c':3,'m':1})
|
||||||
assert grid_equal(grid.sort().renumber(),Grid.from_table(t,'c',['m']))
|
assert grid_equal(grid.sort().renumber(),Grid.from_table(t,'c',['m']))
|
||||||
|
|
||||||
|
|
||||||
@pytest.mark.parametrize('periodic',[True,False])
|
@pytest.mark.parametrize('periodic',[True,False])
|
||||||
@pytest.mark.parametrize('direction',['x','y','z',['x','y'],'zy','xz',['x','y','z']])
|
@pytest.mark.parametrize('direction',['x','y','z',['x','y'],'zy','xz',['x','y','z']])
|
||||||
def test_get_grain_boundaries(self,update,ref_path,periodic,direction):
|
def test_get_grain_boundaries(self,update,ref_path,periodic,direction):
|
||||||
grid=Grid.load(ref_path/'get_grain_boundaries_8g12x15x20.vtr')
|
grid = Grid.load(ref_path/'get_grain_boundaries_8g12x15x20.vtr')
|
||||||
current=grid.get_grain_boundaries(periodic,direction)
|
current = grid.get_grain_boundaries(periodic,direction)
|
||||||
if update:
|
if update:
|
||||||
current.save(ref_path/f'get_grain_boundaries_8g12x15x20_{direction}_{periodic}.vtu',parallel=False)
|
current.save(ref_path/f'get_grain_boundaries_8g12x15x20_{direction}_{periodic}.vtu',parallel=False)
|
||||||
reference=VTK.load(ref_path/f'get_grain_boundaries_8g12x15x20_{"".join(direction)}_{periodic}.vtu')
|
reference = VTK.load(ref_path/f'get_grain_boundaries_8g12x15x20_{"".join(direction)}_{periodic}.vtu')
|
||||||
assert current.__repr__() == reference.__repr__()
|
assert current.__repr__() == reference.__repr__()
|
||||||
|
|
||||||
|
|
||||||
|
def test_load_DREAM3D(self,ref_path):
|
||||||
|
grain = Grid.load_DREAM3D(ref_path/'2phase_irregularGrid.dream3d','FeatureIds')
|
||||||
|
point = Grid.load_DREAM3D(ref_path/'2phase_irregularGrid.dream3d')
|
||||||
|
|
||||||
|
assert np.allclose(grain.origin,point.origin) and \
|
||||||
|
np.allclose(grain.size,point.size) and \
|
||||||
|
(grain.sort().material == point.material+1).all()
|
||||||
|
|
||||||
|
|
||||||
|
def test_load_DREAM3D_reference(self,ref_path,update):
|
||||||
|
current = Grid.load_DREAM3D(ref_path/'measured.dream3d')
|
||||||
|
reference = Grid.load(ref_path/'measured')
|
||||||
|
if update:
|
||||||
|
current.save(ref_path/'measured.vtr')
|
||||||
|
|
||||||
|
assert grid_equal(current,reference)
|
||||||
|
|
|
@ -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.)
|
||||||
|
|
|
@ -1,6 +1,10 @@
|
||||||
|
import random
|
||||||
|
import os
|
||||||
|
|
||||||
import pytest
|
import pytest
|
||||||
import numpy as np
|
import numpy as np
|
||||||
from scipy import stats
|
from scipy import stats
|
||||||
|
import h5py
|
||||||
|
|
||||||
from damask import util
|
from damask import util
|
||||||
|
|
||||||
|
@ -102,3 +106,36 @@ class TestUtil:
|
||||||
@pytest.mark.parametrize('style',[util.emph,util.deemph,util.warn,util.strikeout])
|
@pytest.mark.parametrize('style',[util.emph,util.deemph,util.warn,util.strikeout])
|
||||||
def test_decorate(self,style):
|
def test_decorate(self,style):
|
||||||
assert 'DAMASK' in style('DAMASK')
|
assert 'DAMASK' in style('DAMASK')
|
||||||
|
|
||||||
|
@pytest.mark.parametrize('complete',[True,False])
|
||||||
|
def test_D3D_base_group(self,tmp_path,complete):
|
||||||
|
base_group = ''.join(random.choices('DAMASK', k=10))
|
||||||
|
with h5py.File(tmp_path/'base_group.dream3d','w') as f:
|
||||||
|
f.create_group(os.path.join(base_group,'_SIMPL_GEOMETRY'))
|
||||||
|
if complete:
|
||||||
|
f[os.path.join(base_group,'_SIMPL_GEOMETRY')].create_dataset('SPACING',data=np.ones(3))
|
||||||
|
|
||||||
|
if complete:
|
||||||
|
assert base_group == util.DREAM3D_base_group(tmp_path/'base_group.dream3d')
|
||||||
|
else:
|
||||||
|
with pytest.raises(ValueError):
|
||||||
|
util.DREAM3D_base_group(tmp_path/'base_group.dream3d')
|
||||||
|
|
||||||
|
@pytest.mark.parametrize('complete',[True,False])
|
||||||
|
def test_D3D_cell_data_group(self,tmp_path,complete):
|
||||||
|
base_group = ''.join(random.choices('DAMASK', k=10))
|
||||||
|
cell_data_group = ''.join(random.choices('KULeuven', k=10))
|
||||||
|
cells = np.random.randint(1,50,3)
|
||||||
|
with h5py.File(tmp_path/'cell_data_group.dream3d','w') as f:
|
||||||
|
f.create_group(os.path.join(base_group,'_SIMPL_GEOMETRY'))
|
||||||
|
f[os.path.join(base_group,'_SIMPL_GEOMETRY')].create_dataset('SPACING',data=np.ones(3))
|
||||||
|
f[os.path.join(base_group,'_SIMPL_GEOMETRY')].create_dataset('DIMENSIONS',data=cells[::-1])
|
||||||
|
f[base_group].create_group(cell_data_group)
|
||||||
|
if complete:
|
||||||
|
f[os.path.join(base_group,cell_data_group)].create_dataset('data',shape=np.append(cells,1))
|
||||||
|
|
||||||
|
if complete:
|
||||||
|
assert cell_data_group == util.DREAM3D_cell_data_group(tmp_path/'cell_data_group.dream3d')
|
||||||
|
else:
|
||||||
|
with pytest.raises(ValueError):
|
||||||
|
util.DREAM3D_cell_data_group(tmp_path/'cell_data_group.dream3d')
|
||||||
|
|
|
@ -93,7 +93,7 @@ subroutine DAMASK_interface_init
|
||||||
#endif
|
#endif
|
||||||
print*, achar(27)//'[0m'
|
print*, achar(27)//'[0m'
|
||||||
|
|
||||||
print*, 'Roters et al., Computational Materials Science 158:420–478, 2019'
|
print*, 'F. Roters et al., Computational Materials Science 158:420–478, 2019'
|
||||||
print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'
|
print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'
|
||||||
|
|
||||||
print'(/,a)', ' Version: '//DAMASKVERSION
|
print'(/,a)', ' Version: '//DAMASKVERSION
|
||||||
|
|
|
@ -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, &
|
||||||
|
@ -118,7 +117,7 @@ program DAMASK_grid
|
||||||
call CPFEM_initAll
|
call CPFEM_initAll
|
||||||
print'(/,a)', ' <<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
|
print'(/,a)', ' <<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||||
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||||
|
|
||||||
|
|
||||||
|
|
|
@ -75,7 +75,7 @@ subroutine grid_damage_spectral_init
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- grid_spectral_damage init -+>>>'
|
print'(/,a)', ' <<<+- grid_spectral_damage init -+>>>'
|
||||||
|
|
||||||
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||||
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -105,10 +105,10 @@ subroutine grid_mechanical_spectral_basic_init
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
|
print'(/,a)', ' <<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
print*, 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||||
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
||||||
|
|
||||||
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||||
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -118,7 +118,7 @@ subroutine grid_mechanical_spectral_polarisation_init
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- grid_mechanical_spectral_polarization init -+>>>'; flush(IO_STDOUT)
|
print'(/,a)', ' <<<+- grid_mechanical_spectral_polarization init -+>>>'; flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||||
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -75,7 +75,7 @@ subroutine grid_thermal_spectral_init(T_0)
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- grid_thermal_spectral init -+>>>'
|
print'(/,a)', ' <<<+- grid_thermal_spectral init -+>>>'
|
||||||
|
|
||||||
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||||
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -176,16 +176,16 @@ subroutine spectral_utilities_init
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- spectral_utilities init -+>>>'
|
print'(/,a)', ' <<<+- spectral_utilities init -+>>>'
|
||||||
|
|
||||||
print*, 'Diehl, Diploma Thesis TU München, 2010'
|
print*, 'M. Diehl, Diploma Thesis TU München, 2010'
|
||||||
print*, 'https://doi.org/10.13140/2.1.3234.3840'//IO_EOL
|
print*, 'https://doi.org/10.13140/2.1.3234.3840'//IO_EOL
|
||||||
|
|
||||||
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
print*, 'P. Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||||
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
|
||||||
|
|
||||||
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
print*, 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||||
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'//IO_EOL
|
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'//IO_EOL
|
||||||
|
|
||||||
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
print*, 'P. Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||||
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
@ -276,8 +276,8 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
||||||
|
|
||||||
call phase_restore(ce,.false.) ! wrong name (is more a forward function)
|
call phase_restore(ce,.false.) ! wrong name (is more a forward function)
|
||||||
|
|
||||||
if(homogState(ho)%sizeState > 0) homogState(ho)%State(:,me) = homogState(ho)%State0(:,me)
|
if(homogState(ho)%sizeState > 0) homogState(ho)%state(:,me) = homogState(ho)%state0(:,me)
|
||||||
if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%State(:,me) = damageState_h(ho)%State0(:,me)
|
if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%state(:,me) = damageState_h(ho)%state0(:,me)
|
||||||
call damage_partition(ce)
|
call damage_partition(ce)
|
||||||
|
|
||||||
doneAndHappy = [.false.,.true.]
|
doneAndHappy = [.false.,.true.]
|
||||||
|
@ -287,20 +287,17 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
||||||
.and. NiterationMPstate < num%nMPstate)
|
.and. NiterationMPstate < num%nMPstate)
|
||||||
NiterationMPstate = NiterationMPstate + 1
|
NiterationMPstate = NiterationMPstate + 1
|
||||||
|
|
||||||
|
|
||||||
if (.not. doneAndHappy(1)) then
|
|
||||||
call mechanical_partition(homogenization_F(1:3,1:3,ce),ce)
|
call mechanical_partition(homogenization_F(1:3,1:3,ce),ce)
|
||||||
converged = .true.
|
converged = .true.
|
||||||
do co = 1, myNgrains
|
do co = 1, myNgrains
|
||||||
converged = converged .and. crystallite_stress(dt,co,ip,el)
|
converged = converged .and. crystallite_stress(dt,co,ip,el)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
if (.not. converged) then
|
if (converged) then
|
||||||
doneAndHappy = [.true.,.false.]
|
|
||||||
else
|
|
||||||
doneAndHappy = mechanical_updateState(dt,homogenization_F(1:3,1:3,ce),ce)
|
doneAndHappy = mechanical_updateState(dt,homogenization_F(1:3,1:3,ce),ce)
|
||||||
converged = all(doneAndHappy)
|
converged = all(doneAndHappy)
|
||||||
endif
|
else
|
||||||
|
doneAndHappy = [.true.,.false.]
|
||||||
endif
|
endif
|
||||||
|
|
||||||
enddo convergenceLooping
|
enddo convergenceLooping
|
||||||
|
@ -370,17 +367,17 @@ subroutine homogenization_results
|
||||||
|
|
||||||
call mechanical_results(group_base,ho)
|
call mechanical_results(group_base,ho)
|
||||||
|
|
||||||
group = trim(group_base)//'/damage'
|
|
||||||
call results_closeGroup(results_addGroup(group))
|
|
||||||
select case(damage_type(ho))
|
select case(damage_type(ho))
|
||||||
case(DAMAGE_NONLOCAL_ID)
|
case(DAMAGE_NONLOCAL_ID)
|
||||||
|
group = trim(group_base)//'/damage'
|
||||||
|
call results_closeGroup(results_addGroup(group))
|
||||||
call damage_nonlocal_results(ho,group)
|
call damage_nonlocal_results(ho,group)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
group = trim(group_base)//'/thermal'
|
|
||||||
call results_closeGroup(results_addGroup(group))
|
|
||||||
select case(thermal_type(ho))
|
select case(thermal_type(ho))
|
||||||
case(THERMAL_CONDUCTION_ID)
|
case(THERMAL_CONDUCTION_ID)
|
||||||
|
group = trim(group_base)//'/thermal'
|
||||||
|
call results_closeGroup(results_addGroup(group))
|
||||||
call thermal_conduction_results(ho,group)
|
call thermal_conduction_results(ho,group)
|
||||||
end select
|
end select
|
||||||
|
|
||||||
|
@ -450,7 +447,7 @@ subroutine homogenization_restartRead(fileHandle)
|
||||||
|
|
||||||
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_homogenization(ho))
|
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_homogenization(ho))
|
||||||
|
|
||||||
call HDF5_read(groupHandle(2),homogState(ho)%state,'omega') ! ToDo: should be done by mech
|
call HDF5_read(groupHandle(2),homogState(ho)%state0,'omega') ! ToDo: should be done by mech
|
||||||
|
|
||||||
call HDF5_closeGroup(groupHandle(2))
|
call HDF5_closeGroup(groupHandle(2))
|
||||||
|
|
||||||
|
@ -545,7 +542,7 @@ 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
|
||||||
|
|
|
@ -224,7 +224,7 @@ module subroutine mechanical_results(group_base,ho)
|
||||||
|
|
||||||
character(len=:), allocatable :: group
|
character(len=:), allocatable :: group
|
||||||
|
|
||||||
group = trim(group_base)//'/mech'
|
group = trim(group_base)//'/mechanical'
|
||||||
call results_closeGroup(results_addGroup(group))
|
call results_closeGroup(results_addGroup(group))
|
||||||
|
|
||||||
select case(homogenization_type(ho))
|
select case(homogenization_type(ho))
|
||||||
|
|
|
@ -91,14 +91,13 @@ module subroutine mechanical_RGC_init(num_homogMech)
|
||||||
|
|
||||||
print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_RGC_ID); flush(IO_STDOUT)
|
print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_RGC_ID); flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
|
print*, 'D.D. Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
|
||||||
print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
|
print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
|
||||||
|
|
||||||
print*, 'Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering 18:015006, 2010'
|
print*, 'D.D. Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering 18:015006, 2010'
|
||||||
print*, 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL
|
print*, 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
material_homogenization => config_material%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
allocate(param(material_homogenization%length))
|
allocate(param(material_homogenization%length))
|
||||||
allocate(state(material_homogenization%length))
|
allocate(state(material_homogenization%length))
|
||||||
|
@ -139,7 +138,7 @@ 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), &
|
||||||
|
|
|
@ -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)
|
||||||
|
|
|
@ -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')
|
||||||
|
|
||||||
|
|
|
@ -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
|
||||||
|
|
||||||
|
|
|
@ -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')
|
||||||
|
|
||||||
|
|
||||||
|
|
|
@ -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_as1dString(mech)
|
output_constituent(ph)%label = output_as1dString(mech)
|
||||||
#else
|
#else
|
||||||
output_constituent(ph)%label = mech%get_as1dString('output',defaultVal=emptyStringArray)
|
output_constituent(ph)%label = mech%get_as1dString('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
|
||||||
|
|
||||||
|
@ -561,7 +560,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
|
||||||
cycle LpLoop
|
cycle LpLoop
|
||||||
endif
|
endif
|
||||||
|
|
||||||
calculateJacobiLi: if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
|
calculateJacobiLp: if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
|
||||||
jacoCounterLp = jacoCounterLp + 1
|
jacoCounterLp = jacoCounterLp + 1
|
||||||
|
|
||||||
do o=1,3; do p=1,3
|
do o=1,3; do p=1,3
|
||||||
|
@ -573,7 +572,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
|
||||||
call dgesv(9,1,dRLp_dLp,9,devNull_9,temp_9,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
call dgesv(9,1,dRLp_dLp,9,devNull_9,temp_9,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp
|
||||||
if (ierr /= 0) return ! error
|
if (ierr /= 0) return ! error
|
||||||
deltaLp = - math_9to33(temp_9)
|
deltaLp = - math_9to33(temp_9)
|
||||||
endif calculateJacobiLi
|
endif calculateJacobiLp
|
||||||
|
|
||||||
Lpguess = Lpguess &
|
Lpguess = Lpguess &
|
||||||
+ deltaLp * steplengthLp
|
+ deltaLp * steplengthLp
|
||||||
|
@ -601,7 +600,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
|
||||||
cycle LiLoop
|
cycle LiLoop
|
||||||
endif
|
endif
|
||||||
|
|
||||||
calculateJacobiLp: if (mod(jacoCounterLi, num%iJacoLpresiduum) == 0) then
|
calculateJacobiLi: if (mod(jacoCounterLi, num%iJacoLpresiduum) == 0) then
|
||||||
jacoCounterLi = jacoCounterLi + 1
|
jacoCounterLi = jacoCounterLi + 1
|
||||||
|
|
||||||
temp_33 = matmul(matmul(A,B),invFi_current)
|
temp_33 = matmul(matmul(A,B),invFi_current)
|
||||||
|
@ -620,7 +619,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
|
||||||
call dgesv(9,1,dRLi_dLi,9,devNull_9,temp_9,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
|
call dgesv(9,1,dRLi_dLi,9,devNull_9,temp_9,9,ierr) ! solve dRLi/dLp * delta Li = -res for delta Li
|
||||||
if (ierr /= 0) return ! error
|
if (ierr /= 0) return ! error
|
||||||
deltaLi = - math_9to33(temp_9)
|
deltaLi = - math_9to33(temp_9)
|
||||||
endif calculateJacobiLp
|
endif calculateJacobiLi
|
||||||
|
|
||||||
Liguess = Liguess &
|
Liguess = Liguess &
|
||||||
+ deltaLi * steplengthLi
|
+ deltaLi * steplengthLi
|
||||||
|
@ -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
|
||||||
|
|
||||||
|
|
|
@ -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)
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -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')
|
||||||
|
|
||||||
|
|
|
@ -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
|
||||||
|
|
||||||
|
|
|
@ -103,8 +103,8 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
||||||
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotungsten init -+>>>'
|
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotungsten init -+>>>'
|
||||||
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
|
print*, 'D. Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
|
||||||
print*, 'https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
|
print*, 'https://doi.org/10.1016/j.ijplas.2015.09.002'
|
||||||
|
|
||||||
|
|
||||||
phases => config_material%get('phase')
|
phases => config_material%get('phase')
|
||||||
|
@ -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_as1dString(pl)
|
prm%output = output_as1dString(pl)
|
||||||
|
|
|
@ -150,13 +150,13 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
||||||
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotwin init -+>>>'
|
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotwin init -+>>>'
|
||||||
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
|
print*, 'A. Ma and F. Roters, Acta Materialia 52(12):3603–3612, 2004'
|
||||||
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
|
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
|
||||||
|
|
||||||
print*, 'Roters et al., Computational Materials Science 39:91–95, 2007'
|
print*, 'F. Roters et al., Computational Materials Science 39:91–95, 2007'
|
||||||
print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
|
print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
|
||||||
|
|
||||||
print*, 'Wong et al., Acta Materialia 118:140–151, 2016'
|
print*, 'S.L. Wong et al., Acta Materialia 118:140–151, 2016'
|
||||||
print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
|
print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
|
||||||
|
|
||||||
|
|
||||||
|
@ -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_as1dString(pl)
|
prm%output = output_as1dString(pl)
|
||||||
|
|
|
@ -71,7 +71,7 @@ module function plastic_isotropic_init() result(myPlasticity)
|
||||||
print'(/,a)', ' <<<+- phase:mechanical:plastic:isotropic init -+>>>'
|
print'(/,a)', ' <<<+- phase:mechanical:plastic:isotropic init -+>>>'
|
||||||
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
|
print*, 'T. Maiti and P. Eisenlohr, Scripta Materialia 145:37–40, 2018'
|
||||||
print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
|
print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
|
||||||
|
|
||||||
phases => config_material%get('phase')
|
phases => config_material%get('phase')
|
||||||
|
@ -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_as1dString(pl)
|
prm%output = output_as1dString(pl)
|
||||||
|
|
|
@ -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_as1dString(pl)
|
prm%output = output_as1dString(pl)
|
||||||
|
|
|
@ -203,10 +203,10 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
||||||
print'(/,a)', ' <<<+- phase:mechanical:plastic:nonlocal init -+>>>'
|
print'(/,a)', ' <<<+- phase:mechanical:plastic:nonlocal init -+>>>'
|
||||||
print'(a,i0)', ' # phases: ',Ninstances; flush(IO_STDOUT)
|
print'(a,i0)', ' # phases: ',Ninstances; flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Reuber et al., Acta Materialia 71:333–348, 2014'
|
print*, 'C. Reuber et al., Acta Materialia 71:333–348, 2014'
|
||||||
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
|
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
|
||||||
|
|
||||||
print*, 'Kords, Dissertation RWTH Aachen, 2014'
|
print*, 'C. Kords, Dissertation RWTH Aachen, 2014'
|
||||||
print*, 'http://publications.rwth-aachen.de/record/229993'
|
print*, 'http://publications.rwth-aachen.de/record/229993'
|
||||||
|
|
||||||
|
|
||||||
|
@ -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')
|
||||||
|
|
||||||
|
|
|
@ -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
|
||||||
|
|
190
src/results.f90
190
src/results.f90
|
@ -61,17 +61,18 @@ subroutine results_init(restart)
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- results init -+>>>'; flush(IO_STDOUT)
|
print'(/,a)', ' <<<+- results init -+>>>'; flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
|
print*, 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
|
||||||
print*, 'https://doi.org/10.1007/s40192-017-0084-5'//IO_EOL
|
print*, 'https://doi.org/10.1007/s40192-017-0084-5'//IO_EOL
|
||||||
|
|
||||||
if(.not. restart) then
|
if(.not. restart) then
|
||||||
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
|
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
|
||||||
call results_addAttribute('DADF5_version_major',0)
|
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 results_addAttribute('DAMASK_version',DAMASKVERSION)
|
||||||
call get_command(commandLine)
|
call get_command(commandLine)
|
||||||
call results_addAttribute('Call',trim(commandLine))
|
call results_addAttribute('call',trim(commandLine))
|
||||||
call results_closeGroup(results_addGroup('mapping'))
|
call results_closeGroup(results_addGroup('cell_to'))
|
||||||
|
call results_addAttribute('description','mappings to place data in space','cell_to')
|
||||||
call results_closeJobFile
|
call results_closeJobFile
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
@ -105,12 +106,14 @@ 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
|
||||||
|
|
||||||
|
@ -133,6 +136,7 @@ integer(HID_T) function results_openGroup(groupName)
|
||||||
|
|
||||||
character(len=*), intent(in) :: groupName
|
character(len=*), intent(in) :: groupName
|
||||||
|
|
||||||
|
|
||||||
results_openGroup = HDF5_openGroup(resultsFile,groupName)
|
results_openGroup = HDF5_openGroup(resultsFile,groupName)
|
||||||
|
|
||||||
end function results_openGroup
|
end function results_openGroup
|
||||||
|
@ -145,6 +149,7 @@ integer(HID_T) function results_addGroup(groupName)
|
||||||
|
|
||||||
character(len=*), intent(in) :: groupName
|
character(len=*), intent(in) :: groupName
|
||||||
|
|
||||||
|
|
||||||
results_addGroup = HDF5_addGroup(resultsFile,groupName)
|
results_addGroup = HDF5_addGroup(resultsFile,groupName)
|
||||||
|
|
||||||
end function results_addGroup
|
end function results_addGroup
|
||||||
|
@ -157,6 +162,7 @@ subroutine results_closeGroup(group_id)
|
||||||
|
|
||||||
integer(HID_T), intent(in) :: group_id
|
integer(HID_T), intent(in) :: group_id
|
||||||
|
|
||||||
|
|
||||||
call HDF5_closeGroup(group_id)
|
call HDF5_closeGroup(group_id)
|
||||||
|
|
||||||
end subroutine results_closeGroup
|
end subroutine results_closeGroup
|
||||||
|
@ -169,6 +175,7 @@ subroutine results_setLink(path,link)
|
||||||
|
|
||||||
character(len=*), intent(in) :: path, link
|
character(len=*), intent(in) :: path, link
|
||||||
|
|
||||||
|
|
||||||
call HDF5_setLink(resultsFile,path,link)
|
call HDF5_setLink(resultsFile,path,link)
|
||||||
|
|
||||||
end subroutine results_setLink
|
end subroutine results_setLink
|
||||||
|
@ -181,6 +188,7 @@ subroutine results_addAttribute_str(attrLabel,attrValue,path)
|
||||||
character(len=*), intent(in) :: attrLabel, attrValue
|
character(len=*), intent(in) :: attrLabel, attrValue
|
||||||
character(len=*), intent(in), optional :: path
|
character(len=*), intent(in), optional :: path
|
||||||
|
|
||||||
|
|
||||||
if (present(path)) then
|
if (present(path)) then
|
||||||
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
||||||
else
|
else
|
||||||
|
@ -199,6 +207,7 @@ subroutine results_addAttribute_int(attrLabel,attrValue,path)
|
||||||
integer, intent(in) :: attrValue
|
integer, intent(in) :: attrValue
|
||||||
character(len=*), intent(in), optional :: path
|
character(len=*), intent(in), optional :: path
|
||||||
|
|
||||||
|
|
||||||
if (present(path)) then
|
if (present(path)) then
|
||||||
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
||||||
else
|
else
|
||||||
|
@ -217,6 +226,7 @@ subroutine results_addAttribute_real(attrLabel,attrValue,path)
|
||||||
real(pReal), intent(in) :: attrValue
|
real(pReal), intent(in) :: attrValue
|
||||||
character(len=*), intent(in), optional :: path
|
character(len=*), intent(in), optional :: path
|
||||||
|
|
||||||
|
|
||||||
if (present(path)) then
|
if (present(path)) then
|
||||||
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
||||||
else
|
else
|
||||||
|
@ -235,6 +245,7 @@ subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
|
||||||
integer, intent(in), dimension(:) :: attrValue
|
integer, intent(in), dimension(:) :: attrValue
|
||||||
character(len=*), intent(in), optional :: path
|
character(len=*), intent(in), optional :: path
|
||||||
|
|
||||||
|
|
||||||
if (present(path)) then
|
if (present(path)) then
|
||||||
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
||||||
else
|
else
|
||||||
|
@ -253,6 +264,7 @@ subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
|
||||||
real(pReal), intent(in), dimension(:) :: attrValue
|
real(pReal), intent(in), dimension(:) :: attrValue
|
||||||
character(len=*), intent(in), optional :: path
|
character(len=*), intent(in), optional :: path
|
||||||
|
|
||||||
|
|
||||||
if (present(path)) then
|
if (present(path)) then
|
||||||
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
|
||||||
else
|
else
|
||||||
|
@ -270,6 +282,7 @@ subroutine results_removeLink(link)
|
||||||
character(len=*), intent(in) :: link
|
character(len=*), intent(in) :: link
|
||||||
integer :: hdferr
|
integer :: hdferr
|
||||||
|
|
||||||
|
|
||||||
call h5ldelete_f(resultsFile,link, hdferr)
|
call h5ldelete_f(resultsFile,link, hdferr)
|
||||||
if (hdferr < 0) call IO_error(1,ext_msg = 'results_removeLink: h5ldelete_soft_f ('//trim(link)//')')
|
if (hdferr < 0) call IO_error(1,ext_msg = 'results_removeLink: h5ldelete_soft_f ('//trim(link)//')')
|
||||||
|
|
||||||
|
@ -277,7 +290,7 @@ 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)
|
subroutine results_writeScalarDataset_real(group,dataset,label,description,SIunit)
|
||||||
|
|
||||||
|
@ -287,24 +300,17 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
|
||||||
|
|
||||||
integer(HID_T) :: groupHandle
|
integer(HID_T) :: groupHandle
|
||||||
|
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
groupHandle = results_openGroup(group)
|
||||||
|
|
||||||
call HDF5_write(groupHandle,dataset,label)
|
call HDF5_write(groupHandle,dataset,label)
|
||||||
|
call executionStamp(group//'/'//label,description,SIunit)
|
||||||
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 HDF5_closeGroup(groupHandle)
|
call HDF5_closeGroup(groupHandle)
|
||||||
|
|
||||||
end subroutine results_writeScalarDataset_real
|
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)
|
subroutine results_writeVectorDataset_real(group,dataset,label,description,SIunit)
|
||||||
|
|
||||||
|
@ -314,25 +320,18 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
|
||||||
|
|
||||||
integer(HID_T) :: groupHandle
|
integer(HID_T) :: groupHandle
|
||||||
|
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
groupHandle = results_openGroup(group)
|
||||||
|
|
||||||
call HDF5_write(groupHandle,dataset,label)
|
call HDF5_write(groupHandle,dataset,label)
|
||||||
|
call executionStamp(group//'/'//label,description,SIunit)
|
||||||
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 HDF5_closeGroup(groupHandle)
|
call HDF5_closeGroup(groupHandle)
|
||||||
|
|
||||||
end subroutine results_writeVectorDataset_real
|
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)
|
subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit,transposed)
|
||||||
|
|
||||||
|
@ -353,35 +352,25 @@ 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
|
||||||
else
|
|
||||||
allocate(dataset_transposed,source=dataset)
|
|
||||||
endif
|
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
|
||||||
|
|
||||||
call HDF5_write(groupHandle,dataset_transposed,label)
|
call HDF5_write(groupHandle,dataset_transposed,label)
|
||||||
|
else
|
||||||
if (HDF5_objectExists(groupHandle,label)) &
|
call HDF5_write(groupHandle,dataset,label)
|
||||||
call HDF5_addAttribute(groupHandle,'Description',description,label)
|
endif
|
||||||
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
|
call executionStamp(group//'/'//label,description,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 HDF5_closeGroup(groupHandle)
|
call HDF5_closeGroup(groupHandle)
|
||||||
|
|
||||||
end subroutine results_writeTensorDataset_real
|
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)
|
subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit)
|
||||||
|
|
||||||
|
@ -391,25 +380,17 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
|
||||||
|
|
||||||
integer(HID_T) :: groupHandle
|
integer(HID_T) :: groupHandle
|
||||||
|
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
groupHandle = results_openGroup(group)
|
||||||
|
|
||||||
call HDF5_write(groupHandle,dataset,label)
|
call HDF5_write(groupHandle,dataset,label)
|
||||||
|
call executionStamp(group//'/'//label,description,SIunit)
|
||||||
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 HDF5_closeGroup(groupHandle)
|
call HDF5_closeGroup(groupHandle)
|
||||||
|
|
||||||
end subroutine results_writeVectorDataset_int
|
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)
|
subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit)
|
||||||
|
|
||||||
|
@ -419,20 +400,13 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
|
||||||
|
|
||||||
integer(HID_T) :: groupHandle
|
integer(HID_T) :: groupHandle
|
||||||
|
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
groupHandle = results_openGroup(group)
|
||||||
|
|
||||||
call HDF5_write(groupHandle,dataset,label)
|
call HDF5_write(groupHandle,dataset,label)
|
||||||
|
call executionStamp(group//'/'//label,description,SIunit)
|
||||||
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 HDF5_closeGroup(groupHandle)
|
call HDF5_closeGroup(groupHandle)
|
||||||
|
|
||||||
|
|
||||||
end subroutine results_writeTensorDataset_int
|
end subroutine results_writeTensorDataset_int
|
||||||
|
|
||||||
|
|
||||||
|
@ -458,8 +432,8 @@ subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
|
||||||
integer(HID_T) :: &
|
integer(HID_T) :: &
|
||||||
loc_id, & !< identifier of group in file
|
loc_id, & !< identifier of group in file
|
||||||
dtype_id, & !< identifier of compound data type
|
dtype_id, & !< identifier of compound data type
|
||||||
name_id, & !< identifier of name (string) in compound data type
|
label_id, & !< identifier of label (string) in compound data type
|
||||||
position_id, & !< identifier of position/index (integer) in compound data type
|
entry_id, & !< identifier of entry (integer) in compound data type
|
||||||
dset_id, &
|
dset_id, &
|
||||||
memspace_id, &
|
memspace_id, &
|
||||||
filespace_id, &
|
filespace_id, &
|
||||||
|
@ -524,21 +498,21 @@ subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
|
||||||
|
|
||||||
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
|
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,hdferr)
|
call h5tinsert_f(dtype_id, 'label', 0_SIZE_T, dt_id,hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
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, 'entry', type_size_string, H5T_NATIVE_INTEGER, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! create memory types for each component of the compound type
|
! create memory types for each component of the compound type
|
||||||
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, hdferr)
|
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, label_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, hdferr)
|
call h5tinsert_f(label_id, 'label', 0_SIZE_T, dt_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, hdferr)
|
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, entry_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
|
call h5tinsert_f(entry_id, 'entry', 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
call h5tclose_f(dt_id, hdferr)
|
call h5tclose_f(dt_id, hdferr)
|
||||||
|
@ -560,14 +534,14 @@ subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
|
||||||
call h5pset_preserve_f(plist_id, .true., hdferr)
|
call h5pset_preserve_f(plist_id, .true., hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
loc_id = results_openGroup('/mapping')
|
loc_id = results_openGroup('/cell_to')
|
||||||
call h5dcreate_f(loc_id, 'phase', dtype_id, filespace_id, dset_id, hdferr)
|
call h5dcreate_f(loc_id, 'phase', dtype_id, filespace_id, dset_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), &
|
call h5dwrite_f(dset_id, label_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), &
|
||||||
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
call h5dwrite_f(dset_id, entry_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
||||||
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
|
@ -584,9 +558,11 @@ subroutine results_mapping_phase(phaseAt,memberAtLocal,label)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tclose_f(dtype_id, hdferr)
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tclose_f(name_id, hdferr)
|
call h5tclose_f(label_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tclose_f(position_id, hdferr)
|
call h5tclose_f(entry_id, hdferr)
|
||||||
|
|
||||||
|
call executionStamp('cell_to/phase','cell ID and constituent ID to phase results')
|
||||||
|
|
||||||
end subroutine results_mapping_phase
|
end subroutine results_mapping_phase
|
||||||
|
|
||||||
|
@ -613,8 +589,8 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
||||||
integer(HID_T) :: &
|
integer(HID_T) :: &
|
||||||
loc_id, & !< identifier of group in file
|
loc_id, & !< identifier of group in file
|
||||||
dtype_id, & !< identifier of compound data type
|
dtype_id, & !< identifier of compound data type
|
||||||
name_id, & !< identifier of name (string) in compound data type
|
label_id, & !< identifier of label (string) in compound data type
|
||||||
position_id, & !< identifier of position/index (integer) in compound data type
|
entry_id, & !< identifier of entry (integer) in compound data type
|
||||||
dset_id, &
|
dset_id, &
|
||||||
memspace_id, &
|
memspace_id, &
|
||||||
filespace_id, &
|
filespace_id, &
|
||||||
|
@ -680,21 +656,21 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
||||||
|
|
||||||
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
|
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,hdferr)
|
call h5tinsert_f(dtype_id, 'label', 0_SIZE_T, dt_id,hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
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, 'entry', type_size_string, H5T_NATIVE_INTEGER, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! create memory types for each component of the compound type
|
! create memory types for each component of the compound type
|
||||||
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, hdferr)
|
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, label_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, hdferr)
|
call h5tinsert_f(label_id, 'label', 0_SIZE_T, dt_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, hdferr)
|
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, entry_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
|
call h5tinsert_f(entry_id, 'entry', 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
call h5tclose_f(dt_id, hdferr)
|
call h5tclose_f(dt_id, hdferr)
|
||||||
|
@ -716,14 +692,14 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
||||||
call h5pset_preserve_f(plist_id, .true., hdferr)
|
call h5pset_preserve_f(plist_id, .true., hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
loc_id = results_openGroup('/mapping')
|
loc_id = results_openGroup('/cell_to')
|
||||||
call h5dcreate_f(loc_id, 'homogenization', dtype_id, filespace_id, dset_id, hdferr)
|
call h5dcreate_f(loc_id, 'homogenization', dtype_id, filespace_id, dset_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), &
|
call h5dwrite_f(dset_id, label_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), &
|
||||||
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
call h5dwrite_f(dset_id, entry_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
||||||
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
|
@ -740,26 +716,52 @@ subroutine results_mapping_homogenization(homogenizationAt,memberAtLocal,label)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tclose_f(dtype_id, hdferr)
|
call h5tclose_f(dtype_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tclose_f(name_id, hdferr)
|
call h5tclose_f(label_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
call h5tclose_f(position_id, hdferr)
|
call h5tclose_f(entry_id, hdferr)
|
||||||
if(hdferr < 0) error stop 'HDF5 error'
|
if(hdferr < 0) error stop 'HDF5 error'
|
||||||
|
|
||||||
|
call executionStamp('cell_to/homogenization','cell ID to homogenization results')
|
||||||
|
|
||||||
end subroutine results_mapping_homogenization
|
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=24) function now()
|
||||||
|
|
||||||
character(len=5) :: zone
|
character(len=5) :: zone
|
||||||
integer, dimension(8) :: values
|
integer, dimension(8) :: values
|
||||||
|
|
||||||
|
|
||||||
call date_and_time(values=values,zone=zone)
|
call date_and_time(values=values,zone=zone)
|
||||||
write(now,'(i4.4,5(a,i2.2),a)') &
|
write(now,'(i4.4,5(a,i2.2),a)') &
|
||||||
values(1),'-',values(2),'-',values(3),' ',values(5),':',values(6),':',values(7),zone
|
values(1),'-',values(2),'-',values(3),' ',values(5),':',values(6),':',values(7),zone
|
||||||
|
|
||||||
end function now
|
end function now
|
||||||
|
|
||||||
|
|
||||||
end module results
|
end module results
|
||||||
|
|
|
@ -105,7 +105,7 @@ subroutine rotations_init
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- rotations init -+>>>'; flush(IO_STDOUT)
|
print'(/,a)', ' <<<+- rotations init -+>>>'; flush(IO_STDOUT)
|
||||||
|
|
||||||
print*, 'Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
|
print*, 'D. Rowenhorst et al., Modelling and Simulation in Materials Science and Engineering 23:083501, 2015'
|
||||||
print*, 'https://doi.org/10.1088/0965-0393/23/8/083501'
|
print*, 'https://doi.org/10.1088/0965-0393/23/8/083501'
|
||||||
|
|
||||||
call selfTest
|
call selfTest
|
||||||
|
|
Loading…
Reference in New Issue