Merge remote-tracking branch 'origin/development' into 2d-table-yaml
This commit is contained in:
Sharan Roongta
commit
158afac5b9
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 48dd9972d9023caa8b04226112dcdd57fa0be6af
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Subproject commit 13dfa0ee9d702782f0b7999f3f7fb2384f58d768
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@ -1,13 +1,14 @@
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# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001)
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# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012
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Ti-alpha:
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# Better use values from L. Wang, Z. Zheng, H. Phukan, P. Kenesei, J.-S. Park, J. Lind, R.M. Suter, T.R. Bieler, Direct measurement of critical resolved shear stress of prismatic and basal slip in polycrystalline Ti using high energy X-ray diffraction microscopy, Acta Mater 2017
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cpTi:
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lattice: hP
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c/a: 1.587
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mechanics:
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output: [F, P, F_e, F_p, L_p, O]
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elasticity: {C_11: 160.0e9, C_12: 90.0e9, C_13: 66.0e9, C_33: 181.7e9, C_44: 46.5e9, type: hooke}
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plasticity:
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N_sl: [3, 3, 0, 0, 12]
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N_sl: [3, 3, 0, 6, 12]
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a_sl: 2.0
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dot_gamma_0_sl: 0.001
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h_0_sl_sl: 200e6
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@ -15,5 +16,5 @@ Ti-alpha:
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n_sl: 20
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output: [gamma_sl]
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type: phenopowerlaw
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xi_0_sl: [349e6, 150e6, 0, 0, 1107e6]
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xi_inf_sl: [568e6, 1502e6, 0, 0, 3420e6]
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xi_0_sl: [0.15e9, 0.09e9, 0, 0.20e9, 0.25e9]
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xi_inf_sl: [0.24e9, 0.5e9, 0, 0.6e9, 0.8e9]
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@ -1,5 +1,6 @@
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import copy
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from io import StringIO
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from collections.abc import Iterable
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import abc
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import numpy as np
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@ -44,6 +45,42 @@ class Config(dict):
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copy = __copy__
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def __or__(self,other):
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"""
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Update configuration with contents of other.
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Parameters
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----------
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other : damask.Config or dict
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Key-value pairs that update self.
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"""
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duplicate = self.copy()
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duplicate.update(other)
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return duplicate
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def __ior__(self,other):
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"""Update configuration with contents of other."""
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return self.__or__(other)
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def delete(self,keys):
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"""
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Remove configuration keys.
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Parameters
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----------
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keys : iterable or scalar
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Label of the key(s) to remove.
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"""
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duplicate = self.copy()
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for k in keys if isinstance(keys, Iterable) and not isinstance(keys, str) else [keys]:
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del duplicate[k]
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return duplicate
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@classmethod
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def load(cls,fname):
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"""
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@ -99,30 +136,6 @@ class Config(dict):
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fhandle.write(yaml.dump(self,Dumper=NiceDumper,**kwargs))
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def add(self,d):
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"""
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Add dictionary.
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d : dict
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Dictionary to append.
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"""
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duplicate = self.copy()
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duplicate.update(d)
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return duplicate
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def delete(self,key):
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"""
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Delete item.
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key : str or scalar
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Label of the key to remove.
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"""
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duplicate = self.copy()
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del duplicate[key]
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return duplicate
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@property
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@abc.abstractmethod
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def is_complete(self):
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@ -371,7 +371,7 @@ class Result:
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with h5py.File(self.fname,'r') as f:
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for dataset in sets:
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for group in self.groups_with_datasets(dataset):
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path = os.path.join(group,dataset)
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path = '/'.join([group,dataset])
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inc,prop,name,cat,item = (path.split('/') + ['']*5)[:5]
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key = '/'.join([prop,name+tag])
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if key not in inGeom:
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@ -388,15 +388,15 @@ class Result:
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np.nan,
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dtype=np.dtype(f[path]))
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data[inGeom[key]] = (f[path] if len(shape)>1 else np.expand_dims(f[path],1))[inData[key]]
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path = (os.path.join(*([prop,name]+([cat] if cat else [])+([item] if item else []))) if split else path)+tag
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path = ('/'.join([prop,name]+([cat] if cat else [])+([item] if item else [])) if split else path)+tag
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if split:
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try:
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tbl[inc].add(path,data)
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tbl[inc] = tbl[inc].add(path,data)
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except KeyError:
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tbl[inc] = Table(data.reshape(self.N_materialpoints,-1),{path:data.shape[1:]})
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else:
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try:
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tbl.add(path,data)
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tbl = tbl.add(path,data)
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except AttributeError:
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tbl = Table(data.reshape(self.N_materialpoints,-1),{path:data.shape[1:]})
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|
|
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|
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@ -475,15 +475,17 @@ class Rotation:
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Parameters
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----------
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vector : bool, optional
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Return as actual Rodrigues-Frank vector, i.e. axis
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and angle argument are not separated.
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compact : bool, optional
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Return as actual Rodrigues-Frank vector,
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i.e. axis and angle argument are not separated.
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Returns
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-------
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rho : numpy.ndarray of shape (...,4) unless vector == True:
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numpy.ndarray of shape (...,3)
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Rodrigues-Frank vector: [n_1, n_2, n_3, tan(ω/2)], ǀnǀ = 1 and ω ∈ [0,π].
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rho : numpy.ndarray of shape (...,4) containing
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[n_1, n_2, n_3, tan(ω/2)], ǀnǀ = 1 and ω ∈ [0,π]
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unless compact == True:
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numpy.ndarray of shape (...,3) containing
|
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tan(ω/2) [n_1, n_2, n_3], ω ∈ [0,π].
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"""
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ro = Rotation._qu2ro(self.quaternion)
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|
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@ -189,6 +189,11 @@ class Table:
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label : str
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Column label.
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Returns
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-------
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data : numpy.ndarray
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Array of column data.
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"""
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if re.match(r'[0-9]*?_',label):
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idx,key = label.split('_',1)
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@ -212,6 +217,11 @@ class Table:
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info : str, optional
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Human-readable information about the new data.
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Returns
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-------
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table : Table
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Updated table.
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"""
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dup = self.copy()
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dup._add_comment(label,data.shape[1:],info)
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@ -238,6 +248,11 @@ class Table:
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info : str, optional
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Human-readable information about the modified data.
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Returns
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-------
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table : Table
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Updated table.
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"""
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dup = self.copy()
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dup._add_comment(label,data.shape[1:],info)
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@ -261,6 +276,11 @@ class Table:
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label : str
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Column label.
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Returns
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-------
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table : Table
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Updated table.
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"""
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dup = self.copy()
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dup.data.drop(columns=label,inplace=True)
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@ -279,6 +299,11 @@ class Table:
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label_new : str or iterable of str
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New column label(s).
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Returns
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-------
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table : Table
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Updated table.
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"""
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dup = self.copy()
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columns = dict(zip([old] if isinstance(old,str) else old,
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@ -300,6 +325,11 @@ class Table:
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ascending : bool or list, optional
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Set sort order.
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Returns
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-------
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table : Table
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Updated table.
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"""
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dup = self.copy()
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dup._label_discrete()
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@ -320,6 +350,11 @@ class Table:
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other : Table
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Table to append.
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Returns
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-------
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table : Table
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Concatenated table.
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"""
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if self.shapes != other.shapes or not self.data.columns.equals(other.data.columns):
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raise KeyError('Labels or shapes or order do not match')
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@ -340,6 +375,11 @@ class Table:
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other : Table
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Table to join.
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Returns
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-------
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table : Table
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Joined table.
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"""
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if set(self.shapes) & set(other.shapes) or self.data.shape[0] != other.data.shape[0]:
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raise KeyError('Dublicated keys or row count mismatch')
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|
|
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|
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@ -23,8 +23,17 @@ class TestConfig:
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assert Config.load(f) == config
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def test_add_remove(self):
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dummy = {'hello':'world','foo':'bar'}
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config = Config()
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assert config.add({'hello':'world'}).delete('hello') == config
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config |= dummy
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assert config == Config() | dummy
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config = config.delete(dummy)
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assert config == Config()
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assert (config | dummy ).delete( 'hello' ) == config | {'foo':'bar'}
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assert (config | dummy ).delete([ 'hello', 'foo' ]) == config
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assert (config | Config(dummy)).delete({ 'hello':1,'foo':2 }) == config
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assert (config | Config(dummy)).delete(Config({'hello':1 })) == config | {'foo':'bar'}
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|
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def test_repr(self,tmp_path):
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config = Config()
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|
|
|
|||
|
|
@ -178,11 +178,11 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
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|
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if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward
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|
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chosenThermal1: select case (thermal_type(material_homogenizationAt(elCP)))
|
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!case (THERMAL_conduction_ID) chosenThermal1
|
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! temperature(material_homogenizationAt(elCP))%p(material_homogenizationMemberAt(ip,elCP)) = &
|
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! temperature_inp
|
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end select chosenThermal1
|
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!chosenThermal1: select case (thermal_type(material_homogenizationAt(elCP)))
|
||||
! case (THERMAL_conduction_ID) chosenThermal1
|
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! temperature(material_homogenizationAt(elCP))%p(material_homogenizationMemberAt(ip,elCP)) = &
|
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! temperature_inp
|
||||
!end select chosenThermal1
|
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homogenization_F0(1:3,1:3,ma) = ffn
|
||||
homogenization_F(1:3,1:3,ma) = ffn1
|
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|
||||
|
|
|
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|
|
@ -74,7 +74,7 @@ module YAML_types
|
|||
contains => tNode_contains
|
||||
procedure :: &
|
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get_table_asFloats => tNode_get_byKey_as2dFloats !SR: Name needs to change
|
||||
|
||||
|
||||
generic :: &
|
||||
get => tNode_get_byIndex, &
|
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tNode_get_byKey
|
||||
|
|
@ -161,7 +161,7 @@ module YAML_types
|
|||
emptyDict
|
||||
type(tList), target, public :: &
|
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emptyList
|
||||
|
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|
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abstract interface
|
||||
|
||||
recursive function asFormattedString(self,indent)
|
||||
|
|
@ -183,7 +183,7 @@ module YAML_types
|
|||
|
||||
public :: &
|
||||
YAML_types_init, &
|
||||
output_asStrings, & !ToDo: Hack for GNU. Remove later
|
||||
output_asStrings, & !ToDo: Hack for GNU. Remove later
|
||||
assignment(=)
|
||||
|
||||
contains
|
||||
|
|
@ -213,11 +213,11 @@ subroutine selfTest
|
|||
select type(s1)
|
||||
class is(tScalar)
|
||||
s1 = '1'
|
||||
if(s1%asInt() /= 1) error stop 'tScalar_asInt'
|
||||
if(dNeq(s1%asFloat(),1.0_pReal)) error stop 'tScalar_asFloat'
|
||||
if (s1%asInt() /= 1) error stop 'tScalar_asInt'
|
||||
if (dNeq(s1%asFloat(),1.0_pReal)) error stop 'tScalar_asFloat'
|
||||
s1 = 'true'
|
||||
if(.not. s1%asBool()) error stop 'tScalar_asBool'
|
||||
if(s1%asString() /= 'true') error stop 'tScalar_asString'
|
||||
if (.not. s1%asBool()) error stop 'tScalar_asBool'
|
||||
if (s1%asString() /= 'true') error stop 'tScalar_asString'
|
||||
end select
|
||||
|
||||
block
|
||||
|
|
@ -251,10 +251,10 @@ subroutine selfTest
|
|||
call l1%append(s1)
|
||||
call l1%append(s2)
|
||||
n => l1
|
||||
if(any(l1%asInts() /= [2,3])) error stop 'tList_asInts'
|
||||
if(any(dNeq(l1%asFloats(),[2.0_pReal,3.0_pReal]))) error stop 'tList_asFloats'
|
||||
if(n%get_asInt(1) /= 2) error stop 'byIndex_asInt'
|
||||
if(dNeq(n%get_asFloat(2),3.0_pReal)) error stop 'byIndex_asFloat'
|
||||
if (any(l1%asInts() /= [2,3])) error stop 'tList_asInts'
|
||||
if (any(dNeq(l1%asFloats(),[2.0_pReal,3.0_pReal]))) error stop 'tList_asFloats'
|
||||
if (n%get_asInt(1) /= 2) error stop 'byIndex_asInt'
|
||||
if (dNeq(n%get_asFloat(2),3.0_pReal)) error stop 'byIndex_asFloat'
|
||||
endselect
|
||||
|
||||
allocate(tList::l3)
|
||||
|
|
@ -296,10 +296,10 @@ subroutine selfTest
|
|||
call l1%append(s2)
|
||||
n => l1
|
||||
|
||||
if(any(l1%asBools() .neqv. [.true., .false.])) error stop 'tList_asBools'
|
||||
if(any(l1%asStrings() /= ['true ','False'])) error stop 'tList_asStrings'
|
||||
if(n%get_asBool(2)) error stop 'byIndex_asBool'
|
||||
if(n%get_asString(1) /= 'true') error stop 'byIndex_asString'
|
||||
if (any(l1%asBools() .neqv. [.true., .false.])) error stop 'tList_asBools'
|
||||
if (any(l1%asStrings() /= ['true ','False'])) error stop 'tList_asStrings'
|
||||
if (n%get_asBool(2)) error stop 'byIndex_asBool'
|
||||
if (n%get_asString(1) /= 'true') error stop 'byIndex_asString'
|
||||
end block
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
@ -449,7 +449,7 @@ function tNode_get_byIndex(self,i) result(node)
|
|||
integer :: j
|
||||
|
||||
self_ => self%asList()
|
||||
if(i < 1 .or. i > self_%length) call IO_error(150,ext_msg='tNode_get_byIndex')
|
||||
if (i < 1 .or. i > self_%length) call IO_error(150,ext_msg='tNode_get_byIndex')
|
||||
|
||||
j = 1
|
||||
item => self_%first
|
||||
|
|
@ -630,7 +630,7 @@ function tNode_getKey_byIndex(self,i) result(key)
|
|||
dict => self%asDict()
|
||||
item => dict%first
|
||||
do j = 1, dict%length
|
||||
if(j == i) then
|
||||
if (j == i) then
|
||||
key = item%key
|
||||
exit
|
||||
else
|
||||
|
|
@ -644,7 +644,7 @@ end function tNode_getKey_byIndex
|
|||
!-------------------------------------------------------------------------------------------------
|
||||
!> @brief Checks if a given key/item is present in the dict/list
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
function tNode_contains(self,k) result(exists)
|
||||
function tNode_contains(self,k) result(exists)
|
||||
|
||||
class(tNode), intent(in), target :: self
|
||||
character(len=*), intent(in) :: k
|
||||
|
|
@ -655,18 +655,18 @@ function tNode_contains(self,k) result(exists)
|
|||
type(tDict), pointer :: dict
|
||||
|
||||
exists = .false.
|
||||
if(self%isDict()) then
|
||||
if (self%isDict()) then
|
||||
dict => self%asDict()
|
||||
do j=1, dict%length
|
||||
if(dict%getKey(j) == k) then
|
||||
if (dict%getKey(j) == k) then
|
||||
exists = .true.
|
||||
return
|
||||
endif
|
||||
enddo
|
||||
elseif(self%isList()) then
|
||||
elseif (self%isList()) then
|
||||
list => self%asList()
|
||||
do j =1, list%length
|
||||
if(list%get_asString(j) == k) then
|
||||
do j=1, list%length
|
||||
if (list%get_asString(j) == k) then
|
||||
exists = .true.
|
||||
return
|
||||
endif
|
||||
|
|
@ -694,8 +694,8 @@ function tNode_get_byKey(self,k,defaultVal) result(node)
|
|||
logical :: found
|
||||
|
||||
found = present(defaultVal)
|
||||
if(found) node => defaultVal
|
||||
|
||||
if (found) node => defaultVal
|
||||
|
||||
self_ => self%asDict()
|
||||
|
||||
j = 1
|
||||
|
|
@ -708,11 +708,11 @@ function tNode_get_byKey(self,k,defaultVal) result(node)
|
|||
item => item%next
|
||||
j = j + 1
|
||||
enddo
|
||||
|
||||
|
||||
if (.not. found) then
|
||||
call IO_error(143,ext_msg=k)
|
||||
else
|
||||
if(associated(item)) node => item%node
|
||||
if (associated(item)) node => item%node
|
||||
endif
|
||||
|
||||
end function tNode_get_byKey
|
||||
|
|
@ -731,11 +731,11 @@ function tNode_get_byKey_asFloat(self,k,defaultVal) result(nodeAsFloat)
|
|||
class(tNode), pointer :: node
|
||||
type(tScalar), pointer :: scalar
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
scalar => node%asScalar()
|
||||
nodeAsFloat = scalar%asFloat()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsFloat = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
|
|
@ -757,11 +757,11 @@ function tNode_get_byKey_asInt(self,k,defaultVal) result(nodeAsInt)
|
|||
class(tNode), pointer :: node
|
||||
type(tScalar), pointer :: scalar
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
scalar => node%asScalar()
|
||||
nodeAsInt = scalar%asInt()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsInt = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
|
|
@ -783,11 +783,11 @@ function tNode_get_byKey_asBool(self,k,defaultVal) result(nodeAsBool)
|
|||
class(tNode), pointer :: node
|
||||
type(tScalar), pointer :: scalar
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
scalar => node%asScalar()
|
||||
nodeAsBool = scalar%asBool()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsBool = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
|
|
@ -809,11 +809,11 @@ function tNode_get_byKey_asString(self,k,defaultVal) result(nodeAsString)
|
|||
class(tNode), pointer :: node
|
||||
type(tScalar), pointer :: scalar
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
scalar => node%asScalar()
|
||||
nodeAsString = scalar%asString()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsString = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
|
|
@ -837,18 +837,18 @@ function tNode_get_byKey_asFloats(self,k,defaultVal,requiredSize) result(nodeAsF
|
|||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
list => node%asList()
|
||||
nodeAsFloats = list%asFloats()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsFloats = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
endif
|
||||
|
||||
if(present(requiredSize)) then
|
||||
if(requiredSize /= size(nodeAsFloats)) call IO_error(146,ext_msg=k)
|
||||
if (present(requiredSize)) then
|
||||
if (requiredSize /= size(nodeAsFloats)) call IO_error(146,ext_msg=k)
|
||||
endif
|
||||
|
||||
end function tNode_get_byKey_asFloats
|
||||
|
|
@ -895,18 +895,18 @@ function tNode_get_byKey_asInts(self,k,defaultVal,requiredSize) result(nodeAsInt
|
|||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
list => node%asList()
|
||||
nodeAsInts = list%asInts()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsInts = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
endif
|
||||
|
||||
if(present(requiredSize)) then
|
||||
if(requiredSize /= size(nodeAsInts)) call IO_error(146,ext_msg=k)
|
||||
if (present(requiredSize)) then
|
||||
if (requiredSize /= size(nodeAsInts)) call IO_error(146,ext_msg=k)
|
||||
endif
|
||||
|
||||
end function tNode_get_byKey_asInts
|
||||
|
|
@ -925,11 +925,11 @@ function tNode_get_byKey_asBools(self,k,defaultVal) result(nodeAsBools)
|
|||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
list => node%asList()
|
||||
nodeAsBools = list%asBools()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsBools = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
|
|
@ -951,11 +951,11 @@ function tNode_get_byKey_asStrings(self,k,defaultVal) result(nodeAsStrings)
|
|||
class(tNode), pointer :: node
|
||||
type(tList), pointer :: list
|
||||
|
||||
if(self%contains(k)) then
|
||||
if (self%contains(k)) then
|
||||
node => self%get(k)
|
||||
list => node%asList()
|
||||
nodeAsStrings = list%asStrings()
|
||||
elseif(present(defaultVal)) then
|
||||
elseif (present(defaultVal)) then
|
||||
nodeAsStrings = defaultVal
|
||||
else
|
||||
call IO_error(143,ext_msg=k)
|
||||
|
|
@ -983,7 +983,7 @@ function output_asStrings(self) result(output) !ToDo: SR: Rem
|
|||
|
||||
|
||||
end function output_asStrings
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Returns the index of a key in a dictionary
|
||||
|
|
@ -1002,7 +1002,7 @@ function tNode_get_byKey_asIndex(self,key) result(keyIndex)
|
|||
item => dict%first
|
||||
keyIndex = -1
|
||||
do i = 1, dict%length
|
||||
if(key == item%key) then
|
||||
if (key == item%key) then
|
||||
keyIndex = i
|
||||
exit
|
||||
else
|
||||
|
|
@ -1010,9 +1010,9 @@ function tNode_get_byKey_asIndex(self,key) result(keyIndex)
|
|||
endif
|
||||
enddo
|
||||
|
||||
if(keyIndex == -1) call IO_error(140,ext_msg=key)
|
||||
if (keyIndex == -1) call IO_error(140,ext_msg=key)
|
||||
|
||||
|
||||
|
||||
end function tNode_get_byKey_asIndex
|
||||
|
||||
|
||||
|
|
@ -1043,7 +1043,7 @@ recursive function tList_asFormattedString(self,indent) result(str)
|
|||
integer :: i, indent_
|
||||
|
||||
str = ''
|
||||
if(present(indent)) then
|
||||
if (present(indent)) then
|
||||
indent_ = indent
|
||||
else
|
||||
indent_ = 0
|
||||
|
|
@ -1051,7 +1051,7 @@ recursive function tList_asFormattedString(self,indent) result(str)
|
|||
|
||||
item => self%first
|
||||
do i = 1, self%length
|
||||
if(i /= 1) str = str//repeat(' ',indent_)
|
||||
if (i /= 1) str = str//repeat(' ',indent_)
|
||||
str = str//'- '//item%node%asFormattedString(indent_+2)
|
||||
item => item%next
|
||||
end do
|
||||
|
|
@ -1072,7 +1072,7 @@ recursive function tDict_asFormattedString(self,indent) result(str)
|
|||
integer :: i, indent_
|
||||
|
||||
str = ''
|
||||
if(present(indent)) then
|
||||
if (present(indent)) then
|
||||
indent_ = indent
|
||||
else
|
||||
indent_ = 0
|
||||
|
|
@ -1080,7 +1080,7 @@ recursive function tDict_asFormattedString(self,indent) result(str)
|
|||
|
||||
item => self%first
|
||||
do i = 1, self%length
|
||||
if(i /= 1) str = str//repeat(' ',indent_)
|
||||
if (i /= 1) str = str//repeat(' ',indent_)
|
||||
select type(node_1 =>item%node)
|
||||
class is(tScalar)
|
||||
str = str//trim(item%key)//': '//item%node%asFormattedString(indent_+len_trim(item%key)+2)
|
||||
|
|
@ -1351,7 +1351,7 @@ recursive subroutine tItem_finalize(self)
|
|||
type(tItem),intent(inout) :: self
|
||||
|
||||
deallocate(self%node)
|
||||
if(associated(self%next)) deallocate(self%next)
|
||||
if (associated(self%next)) deallocate(self%next)
|
||||
|
||||
end subroutine tItem_finalize
|
||||
|
||||
|
|
|
|||
|
|
@ -37,9 +37,10 @@ program DAMASK_grid
|
|||
f_out, & !< frequency of result writes
|
||||
f_restart !< frequency of restart writes
|
||||
logical :: estimate_rate !< follow trajectory of former loadcase
|
||||
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
|
||||
end type tLoadCase
|
||||
|
||||
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! variables related to information from load case and geom file
|
||||
real(pReal), dimension(9) :: temp_valueVector !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
|
||||
|
|
@ -53,6 +54,7 @@ program DAMASK_grid
|
|||
integer, parameter :: &
|
||||
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
|
||||
real(pReal) :: &
|
||||
T_0 = 300.0_pReal, &
|
||||
time = 0.0_pReal, & !< elapsed time
|
||||
time0 = 0.0_pReal, & !< begin of interval
|
||||
timeinc = 1.0_pReal, & !< current time interval
|
||||
|
|
@ -78,8 +80,7 @@ program DAMASK_grid
|
|||
maxCutBack, & !< max number of cut backs
|
||||
stagItMax !< max number of field level staggered iterations
|
||||
character(len=pStringLen) :: &
|
||||
incInfo, &
|
||||
loadcase_string
|
||||
incInfo
|
||||
|
||||
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
|
||||
type(tSolutionState), allocatable, dimension(:) :: solres
|
||||
|
|
@ -98,10 +99,13 @@ program DAMASK_grid
|
|||
quit
|
||||
class (tNode), pointer :: &
|
||||
num_grid, &
|
||||
debug_grid, & ! pointer to grid debug options
|
||||
config_load, &
|
||||
load_steps, &
|
||||
load_step, &
|
||||
solver, &
|
||||
initial_conditions, &
|
||||
ic_thermal, &
|
||||
thermal, &
|
||||
step_bc, &
|
||||
step_mech, &
|
||||
step_discretization, &
|
||||
|
|
@ -112,17 +116,11 @@ program DAMASK_grid
|
|||
! init DAMASK (all modules)
|
||||
|
||||
call CPFEM_initAll
|
||||
print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(IO_STDOUT)
|
||||
print'(/,a)', ' <<<+- DAMASK_grid init -+>>>'; flush(IO_STDOUT)
|
||||
|
||||
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
|
||||
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize field solver information
|
||||
nActiveFields = 1
|
||||
if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
|
||||
if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
|
||||
allocate(solres(nActiveFields))
|
||||
|
||||
!-------------------------------------------------------------------------------------------------
|
||||
! reading field paramters from numerics file and do sanity checks
|
||||
|
|
@ -133,19 +131,22 @@ program DAMASK_grid
|
|||
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
|
||||
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
|
||||
|
||||
config_load => YAML_parse_file(trim(interface_loadFile))
|
||||
solver => config_load%get('solver')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! assign mechanics solver depending on selected type
|
||||
|
||||
debug_grid => config_debug%get('grid',defaultVal=emptyList)
|
||||
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
|
||||
case ('Basic')
|
||||
nActiveFields = 1
|
||||
select case (solver%get_asString('mechanical'))
|
||||
case ('spectral_basic')
|
||||
mechanical_init => grid_mechanical_spectral_basic_init
|
||||
mechanical_forward => grid_mechanical_spectral_basic_forward
|
||||
mechanical_solution => grid_mechanical_spectral_basic_solution
|
||||
mechanical_updateCoords => grid_mechanical_spectral_basic_updateCoords
|
||||
mechanical_restartWrite => grid_mechanical_spectral_basic_restartWrite
|
||||
|
||||
case ('Polarisation')
|
||||
case ('spectral_polarization')
|
||||
mechanical_init => grid_mechanical_spectral_polarisation_init
|
||||
mechanical_forward => grid_mechanical_spectral_polarisation_forward
|
||||
mechanical_solution => grid_mechanical_spectral_polarisation_solution
|
||||
|
|
@ -160,32 +161,36 @@ program DAMASK_grid
|
|||
mechanical_restartWrite => grid_mechanical_FEM_restartWrite
|
||||
|
||||
case default
|
||||
call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver')))
|
||||
call IO_error(error_ID = 891, ext_msg = trim(solver%get_asString('mechanical')))
|
||||
|
||||
end select
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize field solver information
|
||||
if (solver%get_asString('thermal',defaultVal = 'n/a') == 'spectral') nActiveFields = nActiveFields + 1
|
||||
if (solver%get_asString('damage', defaultVal = 'n/a') == 'spectral') nActiveFields = nActiveFields + 1
|
||||
|
||||
allocate(solres(nActiveFields))
|
||||
allocate( ID(nActiveFields))
|
||||
|
||||
field = 1
|
||||
ID(field) = FIELD_MECH_ID ! mechanical active by default
|
||||
thermalActive: if (solver%get_asString('thermal',defaultVal = 'n/a') == 'spectral') then
|
||||
field = field + 1
|
||||
ID(field) = FIELD_THERMAL_ID
|
||||
endif thermalActive
|
||||
damageActive: if (solver%get_asString('damage',defaultVal = 'n/a') == 'spectral') then
|
||||
field = field + 1
|
||||
ID(field) = FIELD_DAMAGE_ID
|
||||
endif damageActive
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reading information from load case file and to sanity checks
|
||||
config_load => YAML_parse_file(trim(interface_loadFile))
|
||||
|
||||
load_steps => config_load%get('loadstep')
|
||||
allocate(loadCases(load_steps%length)) ! array of load cases
|
||||
|
||||
do l = 1, load_steps%length
|
||||
|
||||
allocate(loadCases(l)%ID(nActiveFields))
|
||||
field = 1
|
||||
loadCases(l)%ID(field) = FIELD_MECH_ID ! mechanical active by default
|
||||
thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
|
||||
field = field + 1
|
||||
loadCases(l)%ID(field) = FIELD_THERMAL_ID
|
||||
endif thermalActive
|
||||
damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
|
||||
field = field + 1
|
||||
loadCases(l)%ID(field) = FIELD_DAMAGE_ID
|
||||
endif damageActive
|
||||
|
||||
load_step => load_steps%get(l)
|
||||
step_bc => load_step%get('boundary_conditions')
|
||||
step_mech => step_bc%get('mechanical')
|
||||
|
|
@ -220,19 +225,17 @@ program DAMASK_grid
|
|||
if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/dot_F/F missing')
|
||||
|
||||
step_discretization => load_step%get('discretization')
|
||||
if(.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing')
|
||||
if(.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing')
|
||||
if (.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing')
|
||||
if (.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing')
|
||||
loadCases(l)%t = step_discretization%get_asFloat('t')
|
||||
loadCases(l)%N = step_discretization%get_asInt ('N')
|
||||
loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal)
|
||||
|
||||
loadCases(l)%f_restart = load_step%get_asInt('f_restart', defaultVal=huge(0))
|
||||
loadCases(l)%f_out = load_step%get_asInt('f_out', defaultVal=1)
|
||||
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. &
|
||||
merge(.true.,.false.,l > 1))
|
||||
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. l>1)
|
||||
|
||||
reportAndCheck: if (worldrank == 0) then
|
||||
write (loadcase_string, '(i0)' ) l
|
||||
print'(/,a,i0)', ' load case: ', l
|
||||
print*, ' estimate_rate:', loadCases(l)%estimate_rate
|
||||
if (loadCases(l)%deformation%myType == 'L') then
|
||||
|
|
@ -286,13 +289,13 @@ program DAMASK_grid
|
|||
else
|
||||
print'(a,f0.3)', ' r: ', loadCases(l)%r
|
||||
endif
|
||||
print'(a,f0.3)', ' t: ', loadCases(l)%t
|
||||
print'(a,i0)', ' N: ', loadCases(l)%N
|
||||
print'(a,i0)', ' f_out: ', loadCases(l)%f_out
|
||||
print'(a,f0.3)', ' t: ', loadCases(l)%t
|
||||
print'(a,i0)', ' N: ', loadCases(l)%N
|
||||
print'(a,i0)', ' f_out: ', loadCases(l)%f_out
|
||||
if (loadCases(l)%f_restart < huge(0)) &
|
||||
print'(a,i0)', ' f_restart: ', loadCases(l)%f_restart
|
||||
print'(a,i0)', ' f_restart: ', loadCases(l)%f_restart
|
||||
|
||||
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
|
||||
if (errorID > 0) call IO_error(error_ID = errorID, el = l)
|
||||
|
||||
endif reportAndCheck
|
||||
enddo
|
||||
|
|
@ -301,12 +304,14 @@ program DAMASK_grid
|
|||
! doing initialization depending on active solvers
|
||||
call spectral_Utilities_init
|
||||
do field = 1, nActiveFields
|
||||
select case (loadCases(1)%ID(field))
|
||||
select case (ID(field))
|
||||
case(FIELD_MECH_ID)
|
||||
call mechanical_init
|
||||
|
||||
case(FIELD_THERMAL_ID)
|
||||
call grid_thermal_spectral_init
|
||||
initial_conditions => config_load%get('initial_conditions',defaultVal=emptyDict)
|
||||
thermal => initial_conditions%get('thermal',defaultVal=emptyDict)
|
||||
call grid_thermal_spectral_init(thermal%get_asFloat('T',defaultVal = T_0))
|
||||
|
||||
case(FIELD_DAMAGE_ID)
|
||||
call grid_damage_spectral_init
|
||||
|
|
@ -377,7 +382,7 @@ program DAMASK_grid
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! forward fields
|
||||
do field = 1, nActiveFields
|
||||
select case(loadCases(l)%ID(field))
|
||||
select case(ID(field))
|
||||
case(FIELD_MECH_ID)
|
||||
call mechanical_forward (&
|
||||
cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
|
||||
|
|
@ -397,7 +402,7 @@ program DAMASK_grid
|
|||
stagIterate = .true.
|
||||
do while (stagIterate)
|
||||
do field = 1, nActiveFields
|
||||
select case(loadCases(l)%ID(field))
|
||||
select case(ID(field))
|
||||
case(FIELD_MECH_ID)
|
||||
solres(field) = mechanical_solution(incInfo)
|
||||
case(FIELD_THERMAL_ID)
|
||||
|
|
|
|||
|
|
@ -116,7 +116,7 @@ subroutine grid_mechanical_spectral_polarisation_init
|
|||
num_grid, &
|
||||
debug_grid
|
||||
|
||||
print'(/,a)', ' <<<+- grid_mechanical_spectral_polarisation 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*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
|
|
|||
|
|
@ -61,7 +61,9 @@ contains
|
|||
!> @brief allocates all neccessary fields and fills them with data
|
||||
! ToDo: Restart not implemented
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_thermal_spectral_init
|
||||
subroutine grid_thermal_spectral_init(T_0)
|
||||
|
||||
real(pReal), intent(in) :: T_0
|
||||
|
||||
PetscInt, dimension(0:worldsize-1) :: localK
|
||||
integer :: i, j, k, ce
|
||||
|
|
@ -131,9 +133,10 @@ subroutine grid_thermal_spectral_init
|
|||
ce = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
ce = ce + 1
|
||||
T_current(i,j,k) = homogenization_thermal_T(ce)
|
||||
T_current(i,j,k) = T_0
|
||||
T_lastInc(i,j,k) = T_current(i,j,k)
|
||||
T_stagInc(i,j,k) = T_current(i,j,k)
|
||||
call homogenization_thermal_setField(T_0,0.0_pReal,ce)
|
||||
enddo; enddo; enddo
|
||||
call DMDAVecGetArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current
|
||||
|
|
|
|||
|
|
@ -35,15 +35,11 @@ module homogenization
|
|||
homogState, &
|
||||
damageState_h
|
||||
|
||||
|
||||
real(pReal), dimension(:), allocatable, public, protected :: &
|
||||
thermal_initialT
|
||||
|
||||
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: &
|
||||
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable :: &
|
||||
thermal_type !< thermal transport model
|
||||
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
|
||||
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable :: &
|
||||
damage_type !< nonlocal damage model
|
||||
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable, public, protected :: &
|
||||
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable :: &
|
||||
homogenization_type !< type of each homogenization
|
||||
|
||||
type, private :: tNumerics_damage
|
||||
|
|
@ -95,7 +91,7 @@ module homogenization
|
|||
real(pReal), intent(in), dimension(3,3) :: &
|
||||
subF
|
||||
integer, intent(in) :: &
|
||||
ce
|
||||
ce
|
||||
end subroutine mechanical_partition
|
||||
|
||||
module subroutine thermal_partition(ce)
|
||||
|
|
@ -133,10 +129,8 @@ module homogenization
|
|||
|
||||
|
||||
module function thermal_conduction_getConductivity(ce) result(K)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), dimension(3,3) :: K
|
||||
|
||||
end function thermal_conduction_getConductivity
|
||||
|
||||
module function thermal_conduction_getSpecificHeat(ce) result(c_P)
|
||||
|
|
@ -171,13 +165,12 @@ module homogenization
|
|||
real(pReal), intent(out) :: Tdot
|
||||
end subroutine thermal_conduction_getSource
|
||||
|
||||
module function damage_nonlocal_getMobility(ce) result(M)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: M
|
||||
module function damage_nonlocal_getMobility(ce) result(M)
|
||||
integer, intent(in) :: ce
|
||||
real(pReal) :: M
|
||||
end function damage_nonlocal_getMobility
|
||||
|
||||
module subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ce)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: &
|
||||
phi
|
||||
|
|
@ -185,21 +178,17 @@ module homogenization
|
|||
phiDot, dPhiDot_dPhi
|
||||
end subroutine damage_nonlocal_getSourceAndItsTangent
|
||||
|
||||
|
||||
module subroutine damage_nonlocal_putNonLocalDamage(phi,ce)
|
||||
|
||||
integer, intent(in) :: ce
|
||||
real(pReal), intent(in) :: &
|
||||
phi
|
||||
|
||||
end subroutine damage_nonlocal_putNonLocalDamage
|
||||
|
||||
module subroutine damage_nonlocal_results(ho,group)
|
||||
|
||||
integer, intent(in) :: ho
|
||||
character(len=*), intent(in) :: group
|
||||
|
||||
end subroutine damage_nonlocal_results
|
||||
|
||||
end interface
|
||||
|
||||
public :: &
|
||||
|
|
@ -242,21 +231,18 @@ subroutine homogenization_init()
|
|||
|
||||
allocate(homogState (size(material_name_homogenization)))
|
||||
allocate(damageState_h (size(material_name_homogenization)))
|
||||
call material_parseHomogenization
|
||||
|
||||
call material_parseHomogenization()
|
||||
|
||||
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
|
||||
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
|
||||
|
||||
num%nMPstate = num_homogGeneric%get_asInt ('nMPstate', defaultVal=10)
|
||||
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
|
||||
|
||||
num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10)
|
||||
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
|
||||
|
||||
call mechanical_init(num_homog)
|
||||
call thermal_init()
|
||||
call damage_init()
|
||||
|
||||
call damage_nonlocal_init
|
||||
call damage_nonlocal_init()
|
||||
|
||||
|
||||
end subroutine homogenization_init
|
||||
|
|
@ -326,7 +312,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
enddo
|
||||
!$OMP END DO
|
||||
|
||||
if (.not. terminallyIll ) then
|
||||
if (.not. terminallyIll) then
|
||||
!$OMP DO PRIVATE(ho,ph,ce)
|
||||
do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
if (terminallyIll) continue
|
||||
|
|
@ -340,9 +326,9 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
|
|||
if (.not. terminallyIll) & ! so first signals terminally ill...
|
||||
print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
|
||||
terminallyIll = .true. ! ...and kills all others
|
||||
endif
|
||||
call thermal_homogenize(ip,el)
|
||||
endif
|
||||
enddo
|
||||
call thermal_homogenize(ip,el)
|
||||
enddo
|
||||
enddo
|
||||
!$OMP END DO
|
||||
|
|
@ -553,10 +539,9 @@ subroutine material_parseHomogenization
|
|||
|
||||
material_homogenization => config_material%get('homogenization')
|
||||
|
||||
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
|
||||
allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
|
||||
allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
|
||||
allocate(thermal_initialT(size(material_name_homogenization)), source=300.0_pReal)
|
||||
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
|
||||
allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
|
||||
allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
|
||||
|
||||
do h=1, size(material_name_homogenization)
|
||||
homog => material_homogenization%get(h)
|
||||
|
|
@ -572,27 +557,20 @@ subroutine material_parseHomogenization
|
|||
call IO_error(500,ext_msg=homogMech%get_asString('type'))
|
||||
end select
|
||||
|
||||
|
||||
if(homog%contains('thermal')) then
|
||||
if (homog%contains('thermal')) then
|
||||
homogThermal => homog%get('thermal')
|
||||
thermal_initialT(h) = homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal)
|
||||
|
||||
select case (homogThermal%get_asString('type'))
|
||||
case('isothermal')
|
||||
thermal_type(h) = THERMAL_isothermal_ID
|
||||
case('conduction')
|
||||
case('pass')
|
||||
thermal_type(h) = THERMAL_conduction_ID
|
||||
case default
|
||||
call IO_error(500,ext_msg=homogThermal%get_asString('type'))
|
||||
end select
|
||||
endif
|
||||
|
||||
if(homog%contains('damage')) then
|
||||
if (homog%contains('damage')) then
|
||||
homogDamage => homog%get('damage')
|
||||
select case (homogDamage%get_asString('type'))
|
||||
case('none')
|
||||
damage_type(h) = DAMAGE_none_ID
|
||||
case('nonlocal')
|
||||
case('pass')
|
||||
damage_type(h) = DAMAGE_nonlocal_ID
|
||||
case default
|
||||
call IO_error(500,ext_msg=homogDamage%get_asString('type'))
|
||||
|
|
@ -600,7 +578,6 @@ subroutine material_parseHomogenization
|
|||
endif
|
||||
enddo
|
||||
|
||||
|
||||
end subroutine material_parseHomogenization
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -44,7 +44,7 @@ module subroutine thermal_init()
|
|||
allocate(current(configHomogenizations%length))
|
||||
|
||||
do ho = 1, configHomogenizations%length
|
||||
allocate(current(ho)%T(count(material_homogenizationAt2==ho)), source=thermal_initialT(ho))
|
||||
allocate(current(ho)%T(count(material_homogenizationAt2==ho)), source=300.0_pReal)
|
||||
allocate(current(ho)%dot_T(count(material_homogenizationAt2==ho)), source=0.0_pReal)
|
||||
configHomogenization => configHomogenizations%get(ho)
|
||||
associate(prm => param(ho))
|
||||
|
|
|
|||
|
|
@ -17,7 +17,7 @@ module material
|
|||
private
|
||||
|
||||
integer, dimension(:), allocatable, public, protected :: &
|
||||
homogenization_Nconstituents !< number of grains in each homogenization
|
||||
homogenization_Nconstituents !< number of grains in each homogenization
|
||||
|
||||
character(len=:), public, protected, allocatable, dimension(:) :: &
|
||||
material_name_phase, & !< name of each phase
|
||||
|
|
@ -30,7 +30,7 @@ module material
|
|||
material_homogenizationAt, & !< homogenization ID of each element
|
||||
material_homogenizationAt2, & !< per cell
|
||||
material_homogenizationMemberAt2 !< cell
|
||||
integer, dimension(:,:), allocatable, public, protected :: & ! (ip,elem)
|
||||
integer, dimension(:,:), allocatable :: & ! (ip,elem)
|
||||
material_homogenizationMemberAt !< position of the element within its homogenization instance
|
||||
integer, dimension(:,:), allocatable, public, protected :: & ! (constituent,elem)
|
||||
material_phaseAt, & !< phase ID of each element
|
||||
|
|
|
|||
|
|
@ -133,7 +133,7 @@ module subroutine damage_init
|
|||
|
||||
integer :: &
|
||||
ph, & !< counter in phase loop
|
||||
Nconstituents
|
||||
Nmembers
|
||||
class(tNode), pointer :: &
|
||||
phases, &
|
||||
phase, &
|
||||
|
|
@ -151,10 +151,10 @@ module subroutine damage_init
|
|||
|
||||
do ph = 1,phases%length
|
||||
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
|
||||
allocate(current(ph)%phi(Nconstituents),source=1.0_pReal)
|
||||
allocate(current(ph)%d_phi_d_dot_phi(Nconstituents),source=0.0_pReal)
|
||||
allocate(current(ph)%phi(Nmembers),source=1.0_pReal)
|
||||
allocate(current(ph)%d_phi_d_dot_phi(Nmembers),source=0.0_pReal)
|
||||
|
||||
phase => phases%get(ph)
|
||||
sources => phase%get('damage',defaultVal=emptyList)
|
||||
|
|
|
|||
|
|
@ -40,7 +40,7 @@ module function anisobrittle_init() result(mySources)
|
|||
phase, &
|
||||
sources, &
|
||||
src
|
||||
integer :: Nconstituents,p
|
||||
integer :: Nmembers,p
|
||||
integer, dimension(:), allocatable :: N_cl
|
||||
character(len=pStringLen) :: extmsg = ''
|
||||
|
||||
|
|
@ -92,8 +92,8 @@ module function anisobrittle_init() result(mySources)
|
|||
if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
|
||||
if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
|
||||
|
||||
Nconstituents = count(material_phaseAt==p) * discretization_nIPs
|
||||
call phase_allocateState(damageState(p),Nconstituents,1,1,0)
|
||||
Nmembers = count(material_phaseAt==p) * discretization_nIPs
|
||||
call phase_allocateState(damageState(p),Nmembers,1,1,0)
|
||||
damageState(p)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
|
||||
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
|
||||
|
||||
|
|
|
|||
|
|
@ -35,7 +35,7 @@ module function anisoductile_init() result(mySources)
|
|||
pl, &
|
||||
sources, &
|
||||
src
|
||||
integer :: Ninstances,Nconstituents,p
|
||||
integer :: Ninstances,Nmembers,p
|
||||
integer, dimension(:), allocatable :: N_sl
|
||||
character(len=pStringLen) :: extmsg = ''
|
||||
|
||||
|
|
@ -78,8 +78,8 @@ module function anisoductile_init() result(mySources)
|
|||
if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
|
||||
if (any(prm%gamma_crit < 0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit'
|
||||
|
||||
Nconstituents=count(material_phaseAt2==p)
|
||||
call phase_allocateState(damageState(p),Nconstituents,1,1,0)
|
||||
Nmembers=count(material_phaseAt2==p)
|
||||
call phase_allocateState(damageState(p),Nmembers,1,1,0)
|
||||
damageState(p)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal)
|
||||
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
|
||||
|
||||
|
|
|
|||
|
|
@ -31,7 +31,7 @@ module function isobrittle_init() result(mySources)
|
|||
phase, &
|
||||
sources, &
|
||||
src
|
||||
integer :: Nconstituents,p
|
||||
integer :: Nmembers,p
|
||||
character(len=pStringLen) :: extmsg = ''
|
||||
|
||||
|
||||
|
|
@ -64,8 +64,8 @@ module function isobrittle_init() result(mySources)
|
|||
! sanity checks
|
||||
if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
|
||||
|
||||
Nconstituents = count(material_phaseAt2==p)
|
||||
call phase_allocateState(damageState(p),Nconstituents,1,1,1)
|
||||
Nmembers = count(material_phaseAt2==p)
|
||||
call phase_allocateState(damageState(p),Nmembers,1,1,1)
|
||||
damageState(p)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
|
||||
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
|
||||
|
||||
|
|
|
|||
|
|
@ -33,7 +33,7 @@ module function isoductile_init() result(mySources)
|
|||
phase, &
|
||||
sources, &
|
||||
src
|
||||
integer :: Ninstances,Nconstituents,p
|
||||
integer :: Ninstances,Nmembers,p
|
||||
character(len=pStringLen) :: extmsg = ''
|
||||
|
||||
|
||||
|
|
@ -68,8 +68,8 @@ module function isoductile_init() result(mySources)
|
|||
if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
|
||||
if (prm%gamma_crit <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit'
|
||||
|
||||
Nconstituents=count(material_phaseAt2==p)
|
||||
call phase_allocateState(damageState(p),Nconstituents,1,1,0)
|
||||
Nmembers=count(material_phaseAt2==p)
|
||||
call phase_allocateState(damageState(p),Nmembers,1,1,0)
|
||||
damageState(p)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
|
||||
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
|
||||
|
||||
|
|
|
|||
|
|
@ -191,7 +191,7 @@ module subroutine mechanical_init(materials,phases)
|
|||
ph, &
|
||||
me, &
|
||||
stiffDegradationCtr, &
|
||||
Nconstituents
|
||||
Nmembers
|
||||
class(tNode), pointer :: &
|
||||
num_crystallite, &
|
||||
material, &
|
||||
|
|
@ -229,22 +229,22 @@ module subroutine mechanical_init(materials,phases)
|
|||
allocate(material_orientation0(homogenization_maxNconstituents,phases%length,maxVal(material_phaseMemberAt)))
|
||||
|
||||
do ph = 1, phases%length
|
||||
Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
|
||||
Nmembers = count(material_phaseAt == ph) * discretization_nIPs
|
||||
|
||||
allocate(phase_mechanical_Fi(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Fe(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Fi0(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Fp(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Fp0(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Li(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Li0(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Lp0(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Lp(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_S(ph)%data(3,3,Nconstituents),source=0.0_pReal)
|
||||
allocate(phase_mechanical_P(ph)%data(3,3,Nconstituents),source=0.0_pReal)
|
||||
allocate(phase_mechanical_S0(ph)%data(3,3,Nconstituents),source=0.0_pReal)
|
||||
allocate(phase_mechanical_F(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_F0(ph)%data(3,3,Nconstituents))
|
||||
allocate(phase_mechanical_Fi(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Fe(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Fi0(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Fp(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Fp0(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Li(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Li0(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Lp0(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_Lp(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_S(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_P(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_S0(ph)%data(3,3,Nmembers),source=0.0_pReal)
|
||||
allocate(phase_mechanical_F(ph)%data(3,3,Nmembers))
|
||||
allocate(phase_mechanical_F0(ph)%data(3,3,Nmembers))
|
||||
|
||||
phase => phases%get(ph)
|
||||
mech => phase%get('mechanics')
|
||||
|
|
@ -278,8 +278,7 @@ module subroutine mechanical_init(materials,phases)
|
|||
enddo
|
||||
endif
|
||||
|
||||
|
||||
!$OMP PARALLEL DO PRIVATE(ph,me,material,constituents,constituent)
|
||||
|
||||
do el = 1, size(material_phaseMemberAt,3); do ip = 1, size(material_phaseMemberAt,2)
|
||||
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
|
||||
material => materials%get(discretization_materialAt(el))
|
||||
|
|
@ -305,7 +304,6 @@ module subroutine mechanical_init(materials,phases)
|
|||
|
||||
enddo
|
||||
enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
|
||||
! initialize plasticity
|
||||
|
|
|
|||
|
|
@ -79,7 +79,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
logical, dimension(:), allocatable :: myPlasticity
|
||||
integer :: &
|
||||
ph, i, &
|
||||
Nconstituents, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDotState, &
|
||||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
|
|
@ -220,18 +220,18 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
|
||||
sizeState = sizeDotState
|
||||
|
||||
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
|
||||
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! state aliases and initialization
|
||||
startIndex = 1
|
||||
endIndex = prm%sum_N_sl
|
||||
stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_mob = spread(rho_mob_0,2,Nconstituents)
|
||||
stt%rho_mob = spread(rho_mob_0,2,Nmembers)
|
||||
dot%rho_mob => plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
|
||||
|
|
@ -239,7 +239,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_dip = spread(rho_dip_0,2,Nconstituents)
|
||||
stt%rho_dip = spread(rho_dip_0,2,Nmembers)
|
||||
dot%rho_dip => plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
|
||||
|
||||
|
|
@ -251,8 +251,8 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
|||
! global alias
|
||||
plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
|
||||
allocate(dst%Lambda_sl(prm%sum_N_sl,Nconstituents), source=0.0_pReal)
|
||||
allocate(dst%threshold_stress(prm%sum_N_sl,Nconstituents), source=0.0_pReal)
|
||||
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pReal)
|
||||
allocate(dst%threshold_stress(prm%sum_N_sl,Nmembers), source=0.0_pReal)
|
||||
|
||||
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
|
||||
|
||||
|
|
|
|||
|
|
@ -127,7 +127,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
logical, dimension(:), allocatable :: myPlasticity
|
||||
integer :: &
|
||||
ph, i, &
|
||||
Nconstituents, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDotState, &
|
||||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
|
|
@ -406,21 +406,21 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl &
|
||||
+ size(['f_tw']) * prm%sum_N_tw &
|
||||
+ size(['f_tr']) * prm%sum_N_tr
|
||||
sizeState = sizeDotState
|
||||
|
||||
|
||||
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
|
||||
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! locally defined state aliases and initialization of state0 and atol
|
||||
startIndex = 1
|
||||
endIndex = prm%sum_N_sl
|
||||
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_mob= spread(rho_mob_0,2,Nconstituents)
|
||||
stt%rho_mob= spread(rho_mob_0,2,Nmembers)
|
||||
dot%rho_mob=>plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
|
||||
|
|
@ -428,7 +428,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_sl
|
||||
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
stt%rho_dip= spread(rho_dip_0,2,Nconstituents)
|
||||
stt%rho_dip= spread(rho_dip_0,2,Nmembers)
|
||||
dot%rho_dip=>plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
|
||||
|
||||
|
|
@ -454,18 +454,18 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal)
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr'
|
||||
|
||||
allocate(dst%Lambda_sl (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_pass (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
||||
|
||||
allocate(dst%Lambda_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_hat_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_r_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%V_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%Lambda_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_hat_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_r_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%V_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
|
||||
|
||||
allocate(dst%Lambda_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_hat_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_r_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%V_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%Lambda_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_hat_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_r_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%V_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
|
||||
|
||||
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
|
||||
|
||||
|
|
|
|||
|
|
@ -52,7 +52,7 @@ module function plastic_isotropic_init() result(myPlasticity)
|
|||
logical, dimension(:), allocatable :: myPlasticity
|
||||
integer :: &
|
||||
ph, &
|
||||
Nconstituents, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDotState
|
||||
real(pReal) :: &
|
||||
xi_0 !< initial critical stress
|
||||
|
|
@ -119,11 +119,11 @@ module function plastic_isotropic_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
sizeDotState = size(['xi ','gamma'])
|
||||
sizeState = sizeDotState
|
||||
|
||||
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
|
||||
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! state aliases and initialization
|
||||
|
|
|
|||
|
|
@ -62,7 +62,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
logical, dimension(:), allocatable :: myPlasticity
|
||||
integer :: &
|
||||
ph, o, &
|
||||
Nconstituents, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDeltaState, sizeDotState, &
|
||||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
|
|
@ -165,19 +165,19 @@ module function plastic_kinehardening_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
sizeDotState = size(['crss ','crss_back', 'accshear ']) * prm%sum_N_sl !ToDo: adjust names like in material.yaml
|
||||
sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%sum_N_sl !ToDo: adjust names like in material.yaml
|
||||
sizeState = sizeDotState + sizeDeltaState
|
||||
|
||||
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
|
||||
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! state aliases and initialization
|
||||
startIndex = 1
|
||||
endIndex = prm%sum_N_sl
|
||||
stt%crss => plasticState(ph)%state (startIndex:endIndex,:)
|
||||
stt%crss = spread(xi_0, 2, Nconstituents)
|
||||
stt%crss = spread(xi_0, 2, Nmembers)
|
||||
dot%crss => plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
|
||||
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
|
||||
|
|
|
|||
|
|
@ -177,7 +177,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
integer :: &
|
||||
Ninstances, &
|
||||
ph, &
|
||||
Nconstituents, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDotState, sizeDependentState, sizeDeltaState, &
|
||||
s1, s2, &
|
||||
s, t, l
|
||||
|
|
@ -398,7 +398,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
sizeDotState = size([ 'rhoSglEdgePosMobile ','rhoSglEdgeNegMobile ', &
|
||||
'rhoSglScrewPosMobile ','rhoSglScrewNegMobile ', &
|
||||
'rhoSglEdgePosImmobile ','rhoSglEdgeNegImmobile ', &
|
||||
|
|
@ -412,9 +412,9 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
|
||||
sizeDeltaState = sizeDotState
|
||||
|
||||
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
|
||||
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState)
|
||||
|
||||
allocate(geom(ph)%V_0(Nconstituents))
|
||||
allocate(geom(ph)%V_0(Nmembers))
|
||||
call storeGeometry(ph)
|
||||
|
||||
plasticState(ph)%nonlocal = pl%get_asBool('nonlocal')
|
||||
|
|
@ -486,26 +486,26 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
dot%rho_dip_scr => plasticState(ph)%dotState (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
|
||||
del%rho_dip_scr => plasticState(ph)%deltaState (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
|
||||
|
||||
stt%gamma => plasticState(ph)%state (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
|
||||
dot%gamma => plasticState(ph)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
|
||||
del%gamma => plasticState(ph)%deltaState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%gamma => plasticState(ph)%state (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nmembers)
|
||||
dot%gamma => plasticState(ph)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nmembers)
|
||||
del%gamma => plasticState(ph)%deltaState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nmembers)
|
||||
plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl ) = pl%get_asFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
|
||||
if(any(plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pReal)) &
|
||||
extmsg = trim(extmsg)//' atol_gamma'
|
||||
plasticState(ph)%slipRate => plasticState(ph)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
|
||||
plasticState(ph)%slipRate => plasticState(ph)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nmembers)
|
||||
|
||||
stt%rho_forest => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%v => plasticState(ph)%state (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%v_edg_pos => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%v_edg_neg => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%v_scr_pos => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%v_scr_neg => plasticState(ph)%state (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
|
||||
stt%rho_forest => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nmembers)
|
||||
stt%v => plasticState(ph)%state (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nmembers)
|
||||
stt%v_edg_pos => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nmembers)
|
||||
stt%v_edg_neg => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nmembers)
|
||||
stt%v_scr_pos => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
|
||||
stt%v_scr_neg => plasticState(ph)%state (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nmembers)
|
||||
|
||||
allocate(dst%tau_pass(prm%sum_N_sl,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_back(prm%sum_N_sl,Nconstituents),source=0.0_pReal)
|
||||
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
||||
allocate(dst%tau_back(prm%sum_N_sl,Nmembers),source=0.0_pReal)
|
||||
end associate
|
||||
|
||||
if (Nconstituents > 0) call stateInit(ini,ph,Nconstituents)
|
||||
if (Nmembers > 0) call stateInit(ini,ph,Nmembers)
|
||||
plasticState(ph)%state0 = plasticState(ph)%state
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -527,7 +527,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
|
|||
if(.not. myPlasticity(ph)) cycle
|
||||
|
||||
phase => phases%get(ph)
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
l = 0
|
||||
do t = 1,4
|
||||
do s = 1,param(ph)%sum_N_sl
|
||||
|
|
@ -1406,7 +1406,7 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
|
|||
me, &
|
||||
neighbor_e, & ! element index of my neighbor
|
||||
neighbor_i, & ! integration point index of my neighbor
|
||||
neighbor_me, &
|
||||
neighbor_me, &
|
||||
neighbor_phase, &
|
||||
ns, & ! number of active slip systems
|
||||
s1, & ! slip system index (me)
|
||||
|
|
@ -1579,13 +1579,13 @@ end subroutine plastic_nonlocal_results
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief populates the initial dislocation density
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine stateInit(ini,phase,Nconstituents)
|
||||
subroutine stateInit(ini,phase,Nmembers)
|
||||
|
||||
type(tInitialParameters) :: &
|
||||
ini
|
||||
integer,intent(in) :: &
|
||||
phase, &
|
||||
Nconstituents
|
||||
Nmembers
|
||||
integer :: &
|
||||
i, &
|
||||
e, &
|
||||
|
|
@ -1602,7 +1602,7 @@ subroutine stateInit(ini,phase,Nconstituents)
|
|||
totalVolume, &
|
||||
densityBinning, &
|
||||
minimumIpVolume
|
||||
real(pReal), dimension(Nconstituents) :: &
|
||||
real(pReal), dimension(Nmembers) :: &
|
||||
volume
|
||||
|
||||
|
||||
|
|
@ -1622,13 +1622,13 @@ subroutine stateInit(ini,phase,Nconstituents)
|
|||
meanDensity = 0.0_pReal
|
||||
do while(meanDensity < ini%random_rho_u)
|
||||
call random_number(rnd)
|
||||
phasemember = nint(rnd(1)*real(Nconstituents,pReal) + 0.5_pReal)
|
||||
phasemember = nint(rnd(1)*real(Nmembers,pReal) + 0.5_pReal)
|
||||
s = nint(rnd(2)*real(sum(ini%N_sl),pReal)*4.0_pReal + 0.5_pReal)
|
||||
meanDensity = meanDensity + densityBinning * volume(phasemember) / totalVolume
|
||||
stt%rhoSglMobile(s,phasemember) = densityBinning
|
||||
enddo
|
||||
else ! homogeneous distribution with noise
|
||||
do e = 1, Nconstituents
|
||||
do e = 1, Nmembers
|
||||
do f = 1,size(ini%N_sl,1)
|
||||
from = 1 + sum(ini%N_sl(1:f-1))
|
||||
upto = sum(ini%N_sl(1:f))
|
||||
|
|
@ -1809,7 +1809,7 @@ pure function getRho0(ph,me)
|
|||
getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)
|
||||
getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal)
|
||||
|
||||
where(abs(getRho0) < max(prm%rho_min/geom(ph)%V_0(me)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
|
||||
where (abs(getRho0) < max(prm%rho_min/geom(ph)%V_0(me)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
|
||||
getRho0 = 0.0_pReal
|
||||
|
||||
end associate
|
||||
|
|
@ -1822,16 +1822,13 @@ subroutine storeGeometry(ph)
|
|||
integer, intent(in) :: ph
|
||||
|
||||
integer :: ip, el, ce, co
|
||||
real(pReal), dimension(:), allocatable :: V
|
||||
|
||||
ce = 0
|
||||
do el = 1, size(material_homogenizationMemberAt,2)
|
||||
do ip = 1, size(material_homogenizationMemberAt,1)
|
||||
ce = ce + 1
|
||||
do co = 1, homogenization_maxNconstituents
|
||||
if(material_phaseAt2(co,ce) == ph) then
|
||||
geom(ph)%V_0(material_phaseMemberAt2(co,ce)) = IPvolume(ip,el)
|
||||
endif
|
||||
enddo
|
||||
|
||||
V = reshape(IPvolume,[product(shape(IPvolume))])
|
||||
do ce = 1, size(material_homogenizationMemberAt2,1)
|
||||
do co = 1, homogenization_maxNconstituents
|
||||
if (material_phaseAt2(co,ce) == ph) geom(ph)%V_0(material_phaseMemberAt2(co,ce)) = V(ce)
|
||||
enddo
|
||||
enddo
|
||||
|
||||
|
|
|
|||
|
|
@ -71,7 +71,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
logical, dimension(:), allocatable :: myPlasticity
|
||||
integer :: &
|
||||
ph, i, &
|
||||
Nconstituents, &
|
||||
Nmembers, &
|
||||
sizeState, sizeDotState, &
|
||||
startIndex, endIndex
|
||||
integer, dimension(:), allocatable :: &
|
||||
|
|
@ -223,20 +223,20 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate state arrays
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
sizeDotState = size(['xi_sl ','gamma_sl']) * prm%sum_N_sl &
|
||||
+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw
|
||||
sizeState = sizeDotState
|
||||
|
||||
|
||||
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
|
||||
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! state aliases and initialization
|
||||
startIndex = 1
|
||||
endIndex = prm%sum_N_sl
|
||||
stt%xi_slip => plasticState(ph)%state (startIndex:endIndex,:)
|
||||
stt%xi_slip = spread(xi_0_sl, 2, Nconstituents)
|
||||
stt%xi_slip = spread(xi_0_sl, 2, Nmembers)
|
||||
dot%xi_slip => plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
|
||||
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
|
||||
|
|
@ -244,7 +244,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
|
|||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tw
|
||||
stt%xi_twin => plasticState(ph)%state (startIndex:endIndex,:)
|
||||
stt%xi_twin = spread(xi_0_tw, 2, Nconstituents)
|
||||
stt%xi_twin = spread(xi_0_tw, 2, Nmembers)
|
||||
dot%xi_twin => plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
|
||||
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
|
||||
|
|
|
|||
|
|
@ -15,13 +15,13 @@ submodule(phase) thermal
|
|||
THERMAL_EXTERNALHEAT_ID
|
||||
end enum
|
||||
|
||||
type :: tDataContainer
|
||||
type :: tDataContainer ! ?? not very telling name. Better: "fieldQuantities" ??
|
||||
real(pReal), dimension(:), allocatable :: T, dot_T
|
||||
end type tDataContainer
|
||||
integer(kind(THERMAL_UNDEFINED_ID)), dimension(:,:), allocatable :: &
|
||||
thermal_source
|
||||
|
||||
type(tDataContainer), dimension(:), allocatable :: current
|
||||
type(tDataContainer), dimension(:), allocatable :: current ! ?? not very telling name. Better: "field" ??
|
||||
|
||||
integer :: thermal_source_maxSizeDotState
|
||||
|
||||
|
|
@ -78,41 +78,36 @@ module subroutine thermal_init(phases)
|
|||
|
||||
integer :: &
|
||||
ph, so, &
|
||||
Nconstituents
|
||||
Nmembers
|
||||
|
||||
|
||||
print'(/,a)', ' <<<+- phase:thermal init -+>>>'
|
||||
|
||||
allocate(current(phases%length))
|
||||
|
||||
allocate(thermalState (phases%length))
|
||||
allocate(thermalState(phases%length))
|
||||
allocate(thermal_Nsources(phases%length),source = 0)
|
||||
|
||||
do ph = 1, phases%length
|
||||
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
|
||||
allocate(current(ph)%T(Nconstituents),source=300.0_pReal)
|
||||
allocate(current(ph)%dot_T(Nconstituents),source=0.0_pReal)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
allocate(current(ph)%T(Nmembers),source=300.0_pReal)
|
||||
allocate(current(ph)%dot_T(Nmembers),source=0.0_pReal)
|
||||
phase => phases%get(ph)
|
||||
if(phase%contains('thermal')) then
|
||||
thermal => phase%get('thermal')
|
||||
sources => thermal%get('source',defaultVal=emptyList)
|
||||
|
||||
thermal_Nsources(ph) = sources%length
|
||||
endif
|
||||
thermal => phase%get('thermal',defaultVal=emptyDict)
|
||||
sources => thermal%get('source',defaultVal=emptyList)
|
||||
thermal_Nsources(ph) = sources%length
|
||||
allocate(thermalstate(ph)%p(thermal_Nsources(ph)))
|
||||
enddo
|
||||
|
||||
allocate(thermal_source(maxval(thermal_Nsources),phases%length), source = THERMAL_UNDEFINED_ID)
|
||||
|
||||
if(maxval(thermal_Nsources) /= 0) then
|
||||
if (maxval(thermal_Nsources) /= 0) then
|
||||
where(dissipation_init (maxval(thermal_Nsources))) thermal_source = THERMAL_DISSIPATION_ID
|
||||
where(externalheat_init(maxval(thermal_Nsources))) thermal_source = THERMAL_EXTERNALHEAT_ID
|
||||
endif
|
||||
|
||||
thermal_source_maxSizeDotState = 0
|
||||
PhaseLoop2:do ph = 1,phases%length
|
||||
do ph = 1,phases%length
|
||||
|
||||
do so = 1,thermal_Nsources(ph)
|
||||
thermalState(ph)%p(so)%state = thermalState(ph)%p(so)%state0
|
||||
|
|
@ -120,7 +115,7 @@ module subroutine thermal_init(phases)
|
|||
|
||||
thermal_source_maxSizeDotState = max(thermal_source_maxSizeDotState, &
|
||||
maxval(thermalState(ph)%p%sizeDotState))
|
||||
enddo PhaseLoop2
|
||||
enddo
|
||||
|
||||
end subroutine thermal_init
|
||||
|
||||
|
|
@ -145,18 +140,17 @@ module subroutine phase_thermal_getRate(TDot, ph,me)
|
|||
do so = 1, thermal_Nsources(ph)
|
||||
select case(thermal_source(so,ph))
|
||||
case (THERMAL_DISSIPATION_ID)
|
||||
call dissipation_getRate(my_Tdot, ph,me)
|
||||
call dissipation_getRate(my_Tdot, ph,me)
|
||||
|
||||
case (THERMAL_EXTERNALHEAT_ID)
|
||||
call externalheat_getRate(my_Tdot, ph,me)
|
||||
call externalheat_getRate(my_Tdot, ph,me)
|
||||
|
||||
case default
|
||||
my_Tdot = 0.0_pReal
|
||||
my_Tdot = 0.0_pReal
|
||||
end select
|
||||
Tdot = Tdot + my_Tdot
|
||||
enddo
|
||||
|
||||
|
||||
end subroutine phase_thermal_getRate
|
||||
|
||||
|
||||
|
|
@ -185,7 +179,7 @@ function phase_thermal_collectDotState(ph,me) result(broken)
|
|||
end function phase_thermal_collectDotState
|
||||
|
||||
|
||||
module function thermal_stress(Delta_t,ph,me) result(converged_)
|
||||
module function thermal_stress(Delta_t,ph,me) result(converged_) ! ?? why is this called "stress" when it seems closer to "updateState" ??
|
||||
|
||||
real(pReal), intent(in) :: Delta_t
|
||||
integer, intent(in) :: ph, me
|
||||
|
|
@ -212,7 +206,7 @@ function integrateThermalState(Delta_t, ph,me) result(broken)
|
|||
sizeDotState
|
||||
|
||||
broken = phase_thermal_collectDotState(ph,me)
|
||||
if(broken) return
|
||||
if (broken) return
|
||||
|
||||
do so = 1, thermal_Nsources(ph)
|
||||
sizeDotState = thermalState(ph)%p(so)%sizeDotState
|
||||
|
|
@ -301,14 +295,12 @@ function thermal_active(source_label,src_length) result(active_source)
|
|||
allocate(active_source(src_length,phases%length), source = .false. )
|
||||
do p = 1, phases%length
|
||||
phase => phases%get(p)
|
||||
if (phase%contains('thermal')) then
|
||||
thermal => phase%get('thermal',defaultVal=emptyList)
|
||||
sources => thermal%get('source',defaultVal=emptyList)
|
||||
do s = 1, sources%length
|
||||
src => sources%get(s)
|
||||
if(src%get_asString('type') == source_label) active_source(s,p) = .true.
|
||||
enddo
|
||||
endif
|
||||
thermal => phase%get('thermal',defaultVal=emptyDict)
|
||||
sources => thermal%get('source',defaultVal=emptyList)
|
||||
do s = 1, sources%length
|
||||
src => sources%get(s)
|
||||
active_source(s,p) = src%get_asString('type') == source_label
|
||||
enddo
|
||||
enddo
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -31,7 +31,7 @@ module function dissipation_init(source_length) result(mySources)
|
|||
phase, &
|
||||
sources, thermal, &
|
||||
src
|
||||
integer :: so,Nconstituents,ph
|
||||
integer :: so,Nmembers,ph
|
||||
|
||||
|
||||
mySources = thermal_active('dissipation',source_length)
|
||||
|
|
@ -54,8 +54,8 @@ module function dissipation_init(source_length) result(mySources)
|
|||
src => sources%get(so)
|
||||
|
||||
prm%kappa = src%get_asFloat('kappa')
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
call phase_allocateState(thermalState(ph)%p(so),Nconstituents,0,0,0)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
call phase_allocateState(thermalState(ph)%p(so),Nmembers,0,0,0)
|
||||
|
||||
end associate
|
||||
endif
|
||||
|
|
|
|||
|
|
@ -38,7 +38,7 @@ module function externalheat_init(source_length) result(mySources)
|
|||
phase, &
|
||||
sources, thermal, &
|
||||
src
|
||||
integer :: so,Nconstituents,ph
|
||||
integer :: so,Nmembers,ph
|
||||
|
||||
|
||||
mySources = thermal_active('externalheat',source_length)
|
||||
|
|
@ -67,8 +67,8 @@ module function externalheat_init(source_length) result(mySources)
|
|||
|
||||
prm%f_T = src%get_asFloats('f_T',requiredSize = size(prm%t_n))
|
||||
|
||||
Nconstituents = count(material_phaseAt2 == ph)
|
||||
call phase_allocateState(thermalState(ph)%p(so),Nconstituents,1,1,0)
|
||||
Nmembers = count(material_phaseAt2 == ph)
|
||||
call phase_allocateState(thermalState(ph)%p(so),Nmembers,1,1,0)
|
||||
end associate
|
||||
endif
|
||||
enddo
|
||||
|
|
|
|||
Loading…
Reference in New Issue