Merge branch 'development' into cleaning-pInt-use
This commit is contained in:
Martin Diehl
commit
6283ffa024
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit d96bfb32920c96a8a43958f76a209d34c6bd841a
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Subproject commit 3a2f89547c264044a7bfab9d33aee78eec495a76
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@ -22,10 +22,15 @@ parser.add_argument('filenames', nargs='+',
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help='DADF5 files')
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help='DADF5 files')
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parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
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parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
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help='name of subdirectory to hold output')
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help='name of subdirectory to hold output')
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parser.add_argument('--mat', nargs='+',
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help='labels for materialpoint/homogenization',dest='mat')
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parser.add_argument('--con', nargs='+',
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help='labels for constituent/crystallite/constitutive',dest='con')
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options = parser.parse_args()
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options = parser.parse_args()
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options.labels = ['Fe','Fp','xi_sl']
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if options.mat is None: options.mat=[]
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if options.con is None: options.con=[]
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# --- loop over input files ------------------------------------------------------------------------
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# --- loop over input files ------------------------------------------------------------------------
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@ -49,15 +54,12 @@ for filename in options.filenames:
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data = np.array([inc['inc'] for j in range(np.product(results.grid))]).reshape([np.product(results.grid),1])
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data = np.array([inc['inc'] for j in range(np.product(results.grid))]).reshape([np.product(results.grid),1])
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header+= 'inc'
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header+= 'inc'
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data = np.concatenate((data,np.array([j+1 for j in range(np.product(results.grid))]).reshape([np.product(results.grid),1])),1)
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header+=' node'
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coords = coords.reshape([np.product(results.grid),3])
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coords = coords.reshape([np.product(results.grid),3])
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data = np.concatenate((data,coords),1)
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data = np.concatenate((data,coords),1)
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header+=' 1_pos 2_pos 3_pos'
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header+=' 1_pos 2_pos 3_pos'
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results.active['increments'] = [inc]
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results.active['increments'] = [inc]
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for label in options.labels:
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for label in options.con:
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for o in results.c_output_types:
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for o in results.c_output_types:
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results.active['c_output_types'] = [o]
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results.active['c_output_types'] = [o]
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for c in results.constituents:
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for c in results.constituents:
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@ -67,12 +69,33 @@ for filename in options.filenames:
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continue
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continue
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label = x[0].split('/')[-1]
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label = x[0].split('/')[-1]
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array = results.read_dataset(x,0)
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array = results.read_dataset(x,0)
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d = np.product(np.shape(array)[1:])
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d = int(np.product(np.shape(array)[1:]))
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array = np.reshape(array,[np.product(results.grid),d])
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array = np.reshape(array,[np.product(results.grid),d])
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data = np.concatenate((data,array),1)
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data = np.concatenate((data,array),1)
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if d>1:
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header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
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header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
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else:
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header+=' '+label
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for label in options.mat:
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for o in results.m_output_types:
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results.active['m_output_types'] = [o]
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for m in results.materialpoints:
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results.active['materialpoints'] = [m]
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x = results.get_dataset_location(label)
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if len(x) == 0:
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continue
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label = x[0].split('/')[-1]
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array = results.read_dataset(x,0)
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d = int(np.product(np.shape(array)[1:]))
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array = np.reshape(array,[np.product(results.grid),d])
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data = np.concatenate((data,array),1)
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if d>1:
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header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
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else:
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header+=' '+label
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dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
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dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
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try:
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try:
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@ -23,10 +23,15 @@ parser.add_argument('filenames', nargs='+',
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help='DADF5 files')
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help='DADF5 files')
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parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
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parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
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help='name of subdirectory to hold output')
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help='name of subdirectory to hold output')
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parser.add_argument('--mat', nargs='+',
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help='labels for materialpoint/homogenization',dest='mat')
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parser.add_argument('--con', nargs='+',
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help='labels for constituent/crystallite/constitutive',dest='con')
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options = parser.parse_args()
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options = parser.parse_args()
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options.labels = ['Fe','Fp','xi_sl']
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if options.mat is None: options.mat=[]
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if options.con is None: options.con=[]
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# --- loop over input files ------------------------------------------------------------------------
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# --- loop over input files ------------------------------------------------------------------------
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@ -54,7 +59,9 @@ for filename in options.filenames:
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print('Output step {}/{}'.format(i+1,len(results.increments)))
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print('Output step {}/{}'.format(i+1,len(results.increments)))
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vtk_data = []
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vtk_data = []
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results.active['increments'] = [inc]
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results.active['increments'] = [inc]
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for label in options.labels:
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for label in options.con:
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for o in results.c_output_types:
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for o in results.c_output_types:
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results.active['c_output_types'] = [o]
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results.active['c_output_types'] = [o]
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if o != 'generic':
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if o != 'generic':
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@ -43,7 +43,7 @@ parser.add_option('-e', '--exponent', dest='exponent',
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1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1), \
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1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1), \
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large values produce boxes, negative turns concave.')
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large values produce boxes, negative turns concave.')
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parser.add_option('-f', '--fill', dest='fill',
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parser.add_option('-f', '--fill', dest='fill',
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type='int', metavar = 'int',
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type='float', metavar = 'float',
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help='grain index to fill primitive. "0" selects maximum microstructure index + 1 [%default]')
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help='grain index to fill primitive. "0" selects maximum microstructure index + 1 [%default]')
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parser.add_option('-q', '--quaternion', dest='quaternion',
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parser.add_option('-q', '--quaternion', dest='quaternion',
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type='float', nargs = 4, metavar=' '.join(['float']*4),
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type='float', nargs = 4, metavar=' '.join(['float']*4),
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@ -60,15 +60,24 @@ parser.add_option( '--nonperiodic', dest='periodic',
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parser.add_option( '--realspace', dest='realspace',
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parser.add_option( '--realspace', dest='realspace',
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action='store_true',
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action='store_true',
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help = '-c and -d span [origin,origin+size] instead of [0,grid] coordinates')
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help = '-c and -d span [origin,origin+size] instead of [0,grid] coordinates')
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parser.add_option( '--invert', dest='inside',
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action='store_false',
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help = 'invert the volume filled by the primitive (inside/outside)')
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parser.add_option('--float', dest = 'float',
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action = 'store_true',
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help = 'use float input')
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parser.set_defaults(center = (.0,.0,.0),
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parser.set_defaults(center = (.0,.0,.0),
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fill = 0,
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fill = 0.0,
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degrees = False,
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degrees = False,
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exponent = (20,20,20), # box shape by default
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exponent = (20,20,20), # box shape by default
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periodic = True,
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periodic = True,
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realspace = False,
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realspace = False,
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inside = True,
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float = False,
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)
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)
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(options, filenames) = parser.parse_args()
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(options, filenames) = parser.parse_args()
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if options.dimension is None:
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if options.dimension is None:
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parser.error('no dimension specified.')
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parser.error('no dimension specified.')
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if options.angleaxis is not None:
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if options.angleaxis is not None:
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@ -78,6 +87,8 @@ elif options.quaternion is not None:
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else:
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else:
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rotation = damask.Rotation()
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rotation = damask.Rotation()
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datatype = 'f' if options.float else 'i'
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options.center = np.array(options.center)
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options.center = np.array(options.center)
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options.dimension = np.array(options.dimension)
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options.dimension = np.array(options.dimension)
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# undo logarithmic sense of exponent and generate ellipsoids for negative dimensions (backward compatibility)
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# undo logarithmic sense of exponent and generate ellipsoids for negative dimensions (backward compatibility)
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@ -97,13 +108,7 @@ for name in filenames:
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table.head_read()
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table.head_read()
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info,extra_header = table.head_getGeom()
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info,extra_header = table.head_getGeom()
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damask.util.report_geom(info)
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damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
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'size x y z: %s'%(' x '.join(map(str,info['size']))),
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'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
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'homogenization: %i'%info['homogenization'],
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'microstructures: %i'%info['microstructures'],
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])
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errors = []
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errors = []
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if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
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if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
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@ -115,7 +120,7 @@ for name in filenames:
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#--- read data ------------------------------------------------------------------------------------
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#--- read data ------------------------------------------------------------------------------------
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microstructure = table.microstructure_read(info['grid']) # read microstructure
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microstructure = table.microstructure_read(info['grid'],datatype) # read microstructure
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# --- do work ------------------------------------------------------------------------------------
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# --- do work ------------------------------------------------------------------------------------
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|
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@ -123,7 +128,7 @@ for name in filenames:
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'microstructures': 0,
|
'microstructures': 0,
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}
|
}
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|
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options.fill = microstructure.max()+1 if options.fill == 0 else options.fill
|
options.fill = np.nanmax(microstructure)+1 if options.fill == 0 else options.fill
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|
|
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microstructure = microstructure.reshape(info['grid'],order='F')
|
microstructure = microstructure.reshape(info['grid'],order='F')
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|
|
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|
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@ -193,19 +198,23 @@ for name in filenames:
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grid[1] * j : grid[1] * (j+1),
|
grid[1] * j : grid[1] * (j+1),
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grid[2] * k : grid[2] * (k+1)])**options.exponent[2] <= 1.0)
|
grid[2] * k : grid[2] * (k+1)])**options.exponent[2] <= 1.0)
|
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|
|
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microstructure = np.where(inside, options.fill, microstructure)
|
microstructure = np.where(inside,
|
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|
options.fill if options.inside else microstructure,
|
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|
microstructure if options.inside else options.fill)
|
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|
|
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else: # nonperiodic, much lighter on resources
|
else: # nonperiodic, much lighter on resources
|
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microstructure = np.where(np.abs(X)**options.exponent[0] +
|
microstructure = np.where(np.abs(X)**options.exponent[0] +
|
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np.abs(Y)**options.exponent[1] +
|
np.abs(Y)**options.exponent[1] +
|
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np.abs(Z)**options.exponent[2] <= 1.0, options.fill, microstructure)
|
np.abs(Z)**options.exponent[2] <= 1.0,
|
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|
options.fill if options.inside else microstructure,
|
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|
microstructure if options.inside else options.fill)
|
||||||
|
|
||||||
np.seterr(**old_settings) # Reset warnings to old state
|
np.seterr(**old_settings) # Reset warnings to old state
|
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newInfo['microstructures'] = microstructure.max()
|
newInfo['microstructures'] = len(np.unique(microstructure))
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
# --- report ---------------------------------------------------------------------------------------
|
||||||
if (newInfo['microstructures'] != info['microstructures']):
|
if (newInfo['microstructures'] != info['microstructures']):
|
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damask.util.croak('--> microstructures: %i'%newInfo['microstructures'])
|
damask.util.croak('--> microstructures: {}'.format(newInfo['microstructures']))
|
||||||
|
|
||||||
|
|
||||||
#--- write header ---------------------------------------------------------------------------------
|
#--- write header ---------------------------------------------------------------------------------
|
||||||
|
|
@ -225,9 +234,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
format = '%g' if options.float else '%{}i'.format(int(math.floor(math.log10(np.nanmax(microstructure))+1)))
|
||||||
table.data = microstructure.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
table.data = microstructure.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter = ' ')
|
table.data_writeArray(format,delimiter = ' ')
|
||||||
|
|
||||||
#--- output finalization --------------------------------------------------------------------------
|
#--- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -35,7 +35,7 @@ parser.add_option('-f',
|
||||||
type = 'float', metavar = 'float',
|
type = 'float', metavar = 'float',
|
||||||
help = '(background) canvas grain index. "0" selects maximum microstructure index + 1 [%default]')
|
help = '(background) canvas grain index. "0" selects maximum microstructure index + 1 [%default]')
|
||||||
parser.add_option('--float',
|
parser.add_option('--float',
|
||||||
dest = 'real',
|
dest = 'float',
|
||||||
action = 'store_true',
|
action = 'store_true',
|
||||||
help = 'use float input')
|
help = 'use float input')
|
||||||
parser.add_option('--blank',
|
parser.add_option('--blank',
|
||||||
|
|
@ -45,13 +45,13 @@ parser.add_option('--blank',
|
||||||
|
|
||||||
parser.set_defaults(grid = ['0','0','0'],
|
parser.set_defaults(grid = ['0','0','0'],
|
||||||
offset = (0,0,0),
|
offset = (0,0,0),
|
||||||
fill = 0,
|
fill = 0.0,
|
||||||
real = False,
|
float = False,
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
datatype = 'f' if options.real else 'i'
|
datatype = 'f' if options.float else 'i'
|
||||||
options.grid = ['1','1','1'] if options.blank and options.grid == ['0','0','0'] else options.grid
|
options.grid = ['1','1','1'] if options.blank and options.grid == ['0','0','0'] else options.grid
|
||||||
options.fill = 1 if options.blank and options.fill == 0 else options.fill
|
options.fill = 1 if options.blank and options.fill == 0 else options.fill
|
||||||
|
|
||||||
|
|
@ -107,7 +107,7 @@ for name in filenames:
|
||||||
newInfo['grid'] = np.where(newInfo['grid'] > 0, newInfo['grid'],info['grid'])
|
newInfo['grid'] = np.where(newInfo['grid'] > 0, newInfo['grid'],info['grid'])
|
||||||
|
|
||||||
microstructure_cropped = np.zeros(newInfo['grid'],datatype)
|
microstructure_cropped = np.zeros(newInfo['grid'],datatype)
|
||||||
microstructure_cropped.fill(options.fill if options.real or options.fill > 0 else microstructure.max()+1)
|
microstructure_cropped.fill(options.fill if options.float or options.fill > 0 else np.nanmax(microstructure)+1)
|
||||||
|
|
||||||
if not options.blank:
|
if not options.blank:
|
||||||
xindex = np.arange(max(options.offset[0],0),min(options.offset[0]+newInfo['grid'][0],info['grid'][0]))
|
xindex = np.arange(max(options.offset[0],0),min(options.offset[0]+newInfo['grid'][0],info['grid'][0]))
|
||||||
|
|
@ -130,7 +130,7 @@ for name in filenames:
|
||||||
newInfo['size'] = info['size']/info['grid']*newInfo['grid'] if np.all(info['grid'] > 0) else newInfo['grid']
|
newInfo['size'] = info['size']/info['grid']*newInfo['grid'] if np.all(info['grid'] > 0) else newInfo['grid']
|
||||||
newInfo['origin'] = info['origin']+(info['size']/info['grid'] if np.all(info['grid'] > 0) \
|
newInfo['origin'] = info['origin']+(info['size']/info['grid'] if np.all(info['grid'] > 0) \
|
||||||
else newInfo['size']/newInfo['grid'])*options.offset
|
else newInfo['size']/newInfo['grid'])*options.offset
|
||||||
newInfo['microstructures'] = microstructure_cropped.max()
|
newInfo['microstructures'] = len(np.unique(microstructure_cropped))
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
# --- report ---------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -172,7 +172,7 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
format = '%g' if options.real else '%{}i'.format(int(math.floor(math.log10(microstructure_cropped.max())+1)))
|
format = '%g' if options.float else '%{}i'.format(int(math.floor(math.log10(np.nanmax(microstructure_cropped))+1)))
|
||||||
table.data = microstructure_cropped.reshape((newInfo['grid'][0],newInfo['grid'][1]*newInfo['grid'][2]),order='F').transpose()
|
table.data = microstructure_cropped.reshape((newInfo['grid'][0],newInfo['grid'][1]*newInfo['grid'][2]),order='F').transpose()
|
||||||
table.data_writeArray(format,delimiter=' ')
|
table.data_writeArray(format,delimiter=' ')
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -50,13 +50,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures: {}'.format(info['microstructures']),
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -73,7 +67,7 @@ for name in filenames:
|
||||||
# --- do work ------------------------------------------------------------------------------------
|
# --- do work ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
microstructure = ndimage.filters.generic_filter(microstructure,mostFrequent,size=(options.stencil,)*3).astype('int_')
|
microstructure = ndimage.filters.generic_filter(microstructure,mostFrequent,size=(options.stencil,)*3).astype('int_')
|
||||||
newInfo = {'microstructures': microstructure.max()}
|
newInfo = {'microstructures': len(np.unique(microstructure))}
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
# --- report ---------------------------------------------------------------------------------------
|
||||||
if ( newInfo['microstructures'] != info['microstructures']):
|
if ( newInfo['microstructures'] != info['microstructures']):
|
||||||
|
|
@ -91,9 +85,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
formatwidth = int(math.floor(math.log10(np.nanmax(microstructure))+1))
|
||||||
table.data = microstructure.reshape((info['grid'][0],np.prod(info['grid'][1:])),order='F').transpose()
|
table.data = microstructure.reshape((info['grid'][0],np.prod(info['grid'][1:])),order='F').transpose()
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter = ' ')
|
table.data_writeArray('%{}i'.format(formatwidth),delimiter = ' ')
|
||||||
|
|
||||||
# --- output finalization --------------------------------------------------------------------------
|
# --- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -90,12 +90,7 @@ for name in filenames:
|
||||||
|
|
||||||
#--- report ---------------------------------------------------------------------------------------
|
#--- report ---------------------------------------------------------------------------------------
|
||||||
|
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
damask.util.report_geom(info)
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
|
||||||
|
|
@ -192,12 +192,7 @@ for name in filenames:
|
||||||
'homogenization': options.homogenization,
|
'homogenization': options.homogenization,
|
||||||
}
|
}
|
||||||
|
|
||||||
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
|
damask.util.report_geom(info)
|
||||||
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures: {}'.format(info['microstructures']),
|
|
||||||
])
|
|
||||||
|
|
||||||
# --- write header ---------------------------------------------------------------------------------
|
# --- write header ---------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -230,7 +225,7 @@ for name in filenames:
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
table.data = grain.reshape(info['grid'][1]*info['grid'][2],info['grid'][0])
|
table.data = grain.reshape(info['grid'][1]*info['grid'][2],info['grid'][0])
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter=' ')
|
table.data_writeArray('%{}i'.format(formatwidth),delimiter=' ')
|
||||||
|
|
||||||
#--- output finalization --------------------------------------------------------------------------
|
#--- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -69,13 +69,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: {}'.format(' x '.join(list(map(str,info['grid'])))),
|
|
||||||
'size x y z: {}'.format(' x '.join(list(map(str,info['size'])))),
|
|
||||||
'origin x y z: {}'.format(' : '.join(list(map(str,info['origin'])))),
|
|
||||||
'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures: {}'.format(info['microstructures']),
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -200,8 +194,7 @@ for name in filenames:
|
||||||
newID += 1
|
newID += 1
|
||||||
microstructure = np.where(microstructure == microstructureID, newID, microstructure)
|
microstructure = np.where(microstructure == microstructureID, newID, microstructure)
|
||||||
|
|
||||||
newInfo = {'microstructures': 0,}
|
newInfo = {'microstructures': len(np.unique(microstructure)),}
|
||||||
newInfo['microstructures'] = microstructure.max()
|
|
||||||
|
|
||||||
# --- report --------------------------------------------------------------------------------------
|
# --- report --------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -226,7 +219,7 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
formatwidth = int(math.floor(math.log10(np.nanmax(microstructure))+1))
|
||||||
table.data = microstructure[::1 if info['grid'][0]>1 else 2,
|
table.data = microstructure[::1 if info['grid'][0]>1 else 2,
|
||||||
::1 if info['grid'][1]>1 else 2,
|
::1 if info['grid'][1]>1 else 2,
|
||||||
::1 if info['grid'][2]>1 else 2,].\
|
::1 if info['grid'][2]>1 else 2,].\
|
||||||
|
|
|
||||||
|
|
@ -23,6 +23,13 @@ parser.add_option('-d','--direction',
|
||||||
dest = 'directions',
|
dest = 'directions',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = "directions in which to mirror {'x','y','z'}")
|
help = "directions in which to mirror {'x','y','z'}")
|
||||||
|
parser.add_option('--float',
|
||||||
|
dest = 'float',
|
||||||
|
action = 'store_true',
|
||||||
|
help = 'use float input')
|
||||||
|
|
||||||
|
parser.set_defaults(float = False,
|
||||||
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
|
|
@ -32,6 +39,8 @@ if not set(options.directions).issubset(validDirections):
|
||||||
invalidDirections = [str(e) for e in set(options.directions).difference(validDirections)]
|
invalidDirections = [str(e) for e in set(options.directions).difference(validDirections)]
|
||||||
parser.error('invalid directions {}. '.format(*invalidDirections))
|
parser.error('invalid directions {}. '.format(*invalidDirections))
|
||||||
|
|
||||||
|
datatype = 'f' if options.float else 'i'
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
@ -39,7 +48,8 @@ if filenames == []: filenames = [None]
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
try:
|
||||||
table = damask.ASCIItable(name = name,
|
table = damask.ASCIItable(name = name,
|
||||||
buffered = False, labeled = False)
|
buffered = False,
|
||||||
|
labeled = False)
|
||||||
except: continue
|
except: continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
|
|
@ -47,13 +57,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -65,7 +69,7 @@ for name in filenames:
|
||||||
|
|
||||||
# --- read data ------------------------------------------------------------------------------------
|
# --- read data ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
|
microstructure = table.microstructure_read(info['grid'],datatype).reshape(info['grid'],order='F') # read microstructure
|
||||||
|
|
||||||
if 'z' in options.directions:
|
if 'z' in options.directions:
|
||||||
microstructure = np.concatenate([microstructure,microstructure[:,:,::-1]],2)
|
microstructure = np.concatenate([microstructure,microstructure[:,:,::-1]],2)
|
||||||
|
|
@ -107,9 +111,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
formatwidth = int(math.floor(math.log10(np.nanmax(microstructure))+1))
|
||||||
table.data = microstructure.reshape((newInfo['grid'][0],np.prod(newInfo['grid'][1:])),order='F').transpose()
|
table.data = microstructure.reshape((newInfo['grid'][0],np.prod(newInfo['grid'][1:])),order='F').transpose()
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter = ' ')
|
table.data_writeArray('%{}i'.format(formatwidth),delimiter = ' ')
|
||||||
|
|
||||||
# --- output finalization --------------------------------------------------------------------------
|
# --- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -35,13 +35,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures: {}'.format(info['microstructures']),
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
|
||||||
|
|
@ -35,13 +35,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -93,7 +87,7 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information -----------------------------------------------------------
|
# --- write microstructure information -----------------------------------------------------------
|
||||||
|
|
||||||
format = '%{}i'.format(int(math.floor(math.log10(newInfo['microstructures'])+1)))
|
format = '%{}i'.format(int(math.floor(math.log10(np.nanmax(renumbered))+1)))
|
||||||
table.data = renumbered.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
table.data = renumbered.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
||||||
table.data_writeArray(format,delimiter = ' ')
|
table.data_writeArray(format,delimiter = ' ')
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -31,14 +31,21 @@ parser.add_option('-r', '--renumber',
|
||||||
dest = 'renumber',
|
dest = 'renumber',
|
||||||
action = 'store_true',
|
action = 'store_true',
|
||||||
help = 'renumber microstructure indices from 1..N [%default]')
|
help = 'renumber microstructure indices from 1..N [%default]')
|
||||||
|
parser.add_option('--float',
|
||||||
|
dest = 'float',
|
||||||
|
action = 'store_true',
|
||||||
|
help = 'use float input')
|
||||||
|
|
||||||
parser.set_defaults(renumber = False,
|
parser.set_defaults(renumber = False,
|
||||||
grid = ['0','0','0'],
|
grid = ['0','0','0'],
|
||||||
size = ['0.0','0.0','0.0'],
|
size = ['0.0','0.0','0.0'],
|
||||||
|
float = False,
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
|
datatype = 'f' if options.float else 'i'
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
@ -46,7 +53,8 @@ if filenames == []: filenames = [None]
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
try:
|
||||||
table = damask.ASCIItable(name = name,
|
table = damask.ASCIItable(name = name,
|
||||||
buffered = False, labeled = False)
|
buffered = False,
|
||||||
|
labeled = False)
|
||||||
except: continue
|
except: continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
|
|
@ -54,13 +62,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -72,7 +74,7 @@ for name in filenames:
|
||||||
|
|
||||||
# --- read data ------------------------------------------------------------------------------------
|
# --- read data ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
microstructure = table.microstructure_read(info['grid']) # read microstructure
|
microstructure = table.microstructure_read(info['grid'],datatype) # read microstructure
|
||||||
|
|
||||||
# --- do work ------------------------------------------------------------------------------------
|
# --- do work ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -113,7 +115,7 @@ for name in filenames:
|
||||||
newID += 1
|
newID += 1
|
||||||
microstructure = np.where(microstructure == microstructureID, newID,microstructure).reshape(microstructure.shape)
|
microstructure = np.where(microstructure == microstructureID, newID,microstructure).reshape(microstructure.shape)
|
||||||
|
|
||||||
newInfo['microstructures'] = microstructure.max()
|
newInfo['microstructures'] = len(np.unique(microstructure))
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
# --- report ---------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -152,9 +154,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
format = '%g' if options.float else '%{}i'.format(int(math.floor(math.log10(np.nanmax(microstructure))+1)))
|
||||||
table.data = microstructure.reshape((newInfo['grid'][0],newInfo['grid'][1]*newInfo['grid'][2]),order='F').transpose()
|
table.data = microstructure.reshape((newInfo['grid'][0],newInfo['grid'][1]*newInfo['grid'][2]),order='F').transpose()
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter = ' ')
|
table.data_writeArray(format,delimiter=' ')
|
||||||
|
|
||||||
# --- output finalization --------------------------------------------------------------------------
|
# --- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -43,9 +43,15 @@ parser.add_option('-f', '--fill',
|
||||||
dest = 'fill',
|
dest = 'fill',
|
||||||
type = 'int', metavar = 'int',
|
type = 'int', metavar = 'int',
|
||||||
help = 'background grain index. "0" selects maximum microstructure index + 1 [%default]')
|
help = 'background grain index. "0" selects maximum microstructure index + 1 [%default]')
|
||||||
|
parser.add_option('--float',
|
||||||
|
dest = 'float',
|
||||||
|
action = 'store_true',
|
||||||
|
help = 'use float input')
|
||||||
|
|
||||||
parser.set_defaults(degrees = False,
|
parser.set_defaults(degrees = False,
|
||||||
fill = 0)
|
fill = 0,
|
||||||
|
float = False,
|
||||||
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
|
|
@ -61,6 +67,8 @@ if options.matrix is not None:
|
||||||
if options.eulers is not None:
|
if options.eulers is not None:
|
||||||
eulers = damask.Rotation.fromEulers(np.array(options.eulers),degrees=True).asEulers(degrees=True)
|
eulers = damask.Rotation.fromEulers(np.array(options.eulers),degrees=True).asEulers(degrees=True)
|
||||||
|
|
||||||
|
datatype = 'f' if options.float else 'i'
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
|
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
@ -77,13 +85,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures: {}'.format(info['microstructures']),
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -95,9 +97,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- read data ------------------------------------------------------------------------------------
|
# --- read data ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
|
microstructure = table.microstructure_read(info['grid'],datatype).reshape(info['grid'],order='F') # read microstructure
|
||||||
|
|
||||||
newGrainID = options.fill if options.fill != 0 else microstructure.max()+1
|
newGrainID = options.fill if options.fill != 0 else np.nanmax(microstructure)+1
|
||||||
microstructure = ndimage.rotate(microstructure,eulers[2],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
|
microstructure = ndimage.rotate(microstructure,eulers[2],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
|
||||||
microstructure = ndimage.rotate(microstructure,eulers[1],(1,2),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around X
|
microstructure = ndimage.rotate(microstructure,eulers[1],(1,2),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around X
|
||||||
microstructure = ndimage.rotate(microstructure,eulers[0],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
|
microstructure = ndimage.rotate(microstructure,eulers[0],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
|
||||||
|
|
@ -107,19 +109,18 @@ for name in filenames:
|
||||||
newInfo = {
|
newInfo = {
|
||||||
'size': microstructure.shape*info['size']/info['grid'],
|
'size': microstructure.shape*info['size']/info['grid'],
|
||||||
'grid': microstructure.shape,
|
'grid': microstructure.shape,
|
||||||
'microstructures': microstructure.max(),
|
'microstructures': len(np.unique(microstructure)),
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
# --- report ---------------------------------------------------------------------------------------
|
||||||
|
|
||||||
remarks = []
|
remarks = []
|
||||||
if (any(newInfo['grid'] != info['grid'])):
|
if (any(newInfo['grid'] != info['grid'])):
|
||||||
remarks.append('--> grid a b c: %s'%(' x '.join(map(str,newInfo['grid']))))
|
remarks.append('--> grid a b c: {}'.format(' x '.join(map(str,newInfo['grid']))))
|
||||||
if (any(newInfo['size'] != info['size'])):
|
if (any(newInfo['size'] != info['size'])):
|
||||||
remarks.append('--> size x y z: %s'%(' x '.join(map(str,newInfo['size']))))
|
remarks.append('--> size x y z: {}'.format(' x '.join(map(str,newInfo['size']))))
|
||||||
if ( newInfo['microstructures'] != info['microstructures']):
|
if ( newInfo['microstructures'] != info['microstructures']):
|
||||||
remarks.append('--> microstructures: %i'%newInfo['microstructures'])
|
remarks.append('--> microstructures: {}'.format(newInfo['microstructures']))
|
||||||
if remarks != []: damask.util.croak(remarks)
|
if remarks != []: damask.util.croak(remarks)
|
||||||
|
|
||||||
# --- write header ---------------------------------------------------------------------------------
|
# --- write header ---------------------------------------------------------------------------------
|
||||||
|
|
@ -138,9 +139,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
format = '%g' if options.float else '%{}i'.format(int(math.floor(math.log10(np.nanmax(microstructure))+1)))
|
||||||
table.data = microstructure.reshape((newInfo['grid'][0],np.prod(newInfo['grid'][1:])),order='F').transpose()
|
table.data = microstructure.reshape((newInfo['grid'][0],np.prod(newInfo['grid'][1:])),order='F').transpose()
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter = ' ')
|
table.data_writeArray(format,delimiter=' ')
|
||||||
|
|
||||||
# --- output finalization --------------------------------------------------------------------------
|
# --- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -20,15 +20,15 @@ Translate geom description into ASCIItable containing position and microstructur
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
parser.add_option('--float',
|
parser.add_option('--float',
|
||||||
dest = 'real',
|
dest = 'float',
|
||||||
action = 'store_true',
|
action = 'store_true',
|
||||||
help = 'use float input')
|
help = 'use float input')
|
||||||
|
|
||||||
parser.set_defaults(real = False,
|
parser.set_defaults(float = False,
|
||||||
)
|
)
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
datatype = 'f' if options.real else 'i'
|
datatype = 'f' if options.float else 'i'
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -47,13 +47,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: {}'.format(' x '.join(list(map(str,info['grid'])))),
|
|
||||||
'size x y z: {}'.format(' x '.join(list(map(str,info['size'])))),
|
|
||||||
'origin x y z: {}'.format(' : '.join(list(map(str,info['origin'])))),
|
|
||||||
'homogenization: {}'.format(info['homogenization']),
|
|
||||||
'microstructures: {}'.format(info['microstructures']),
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
|
||||||
|
|
@ -31,19 +31,19 @@ parser.add_option('-s', '--substitute',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'substitutions of microstructure indices from,to,from,to,...')
|
help = 'substitutions of microstructure indices from,to,from,to,...')
|
||||||
parser.add_option('--float',
|
parser.add_option('--float',
|
||||||
dest = 'real',
|
dest = 'float',
|
||||||
action = 'store_true',
|
action = 'store_true',
|
||||||
help = 'use float input')
|
help = 'use float input')
|
||||||
|
|
||||||
parser.set_defaults(origin = (0.0,0.0,0.0),
|
parser.set_defaults(origin = (0.0,0.0,0.0),
|
||||||
microstructure = 0,
|
microstructure = 0,
|
||||||
substitute = [],
|
substitute = [],
|
||||||
real = False,
|
float = False,
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
datatype = 'f' if options.real else 'i'
|
datatype = 'f' if options.float else 'i'
|
||||||
|
|
||||||
sub = {}
|
sub = {}
|
||||||
for i in range(len(options.substitute)//2): # split substitution list into "from" -> "to"
|
for i in range(len(options.substitute)//2): # split substitution list into "from" -> "to"
|
||||||
|
|
@ -64,13 +64,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -103,9 +97,9 @@ for name in filenames:
|
||||||
|
|
||||||
remarks = []
|
remarks = []
|
||||||
if (any(newInfo['origin'] != info['origin'])):
|
if (any(newInfo['origin'] != info['origin'])):
|
||||||
remarks.append('--> origin x y z: %s'%(' : '.join(map(str,newInfo['origin']))))
|
remarks.append('--> origin x y z: {}'.format(' : '.join(map(str,newInfo['origin']))))
|
||||||
if ( newInfo['microstructures'] != info['microstructures']):
|
if ( newInfo['microstructures'] != info['microstructures']):
|
||||||
remarks.append('--> microstructures: %i'%newInfo['microstructures'])
|
remarks.append('--> microstructures: {}'.format(newInfo['microstructures']))
|
||||||
if remarks != []: damask.util.croak(remarks)
|
if remarks != []: damask.util.croak(remarks)
|
||||||
|
|
||||||
# --- write header -------------------------------------------------------------------------------
|
# --- write header -------------------------------------------------------------------------------
|
||||||
|
|
@ -124,7 +118,7 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information -----------------------------------------------------------
|
# --- write microstructure information -----------------------------------------------------------
|
||||||
|
|
||||||
format = '%g' if options.real else '%{}i'.format(int(math.floor(math.log10(microstructure.max())+1)))
|
format = '%g' if options.float else '%{}i'.format(int(math.floor(math.log10(np.nanmax(substituted))+1)))
|
||||||
table.data = substituted.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
table.data = substituted.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
||||||
table.data_writeArray(format,delimiter = ' ')
|
table.data_writeArray(format,delimiter = ' ')
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -43,13 +43,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
|
||||||
|
|
@ -73,13 +73,7 @@ for name in filenames:
|
||||||
|
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
damask.util.report_geom(info)
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
|
||||||
'homogenization: %i'%info['homogenization'],
|
|
||||||
'microstructures: %i'%info['microstructures'],
|
|
||||||
])
|
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
|
@ -108,7 +102,7 @@ for name in filenames:
|
||||||
extra_keywords={"trigger":options.trigger,"size":1+2*options.vicinity}),
|
extra_keywords={"trigger":options.trigger,"size":1+2*options.vicinity}),
|
||||||
microstructure + options.offset,microstructure)
|
microstructure + options.offset,microstructure)
|
||||||
|
|
||||||
newInfo['microstructures'] = microstructure.max()
|
newInfo['microstructures'] = len(np.unique(microstructure))
|
||||||
|
|
||||||
# --- report ---------------------------------------------------------------------------------------
|
# --- report ---------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -131,9 +125,9 @@ for name in filenames:
|
||||||
|
|
||||||
# --- write microstructure information ------------------------------------------------------------
|
# --- write microstructure information ------------------------------------------------------------
|
||||||
|
|
||||||
formatwidth = int(math.floor(math.log10(microstructure.max())+1))
|
formatwidth = int(math.floor(math.log10(np.nanmax(microstructure))+1))
|
||||||
table.data = microstructure.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
table.data = microstructure.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
||||||
table.data_writeArray('%%%ii'%(formatwidth),delimiter = ' ')
|
table.data_writeArray('%{}i'.format(formatwidth),delimiter = ' ')
|
||||||
|
|
||||||
# --- output finalization --------------------------------------------------------------------------
|
# --- output finalization --------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -49,15 +49,23 @@ class DADF5():
|
||||||
self.c_output_types.append(o)
|
self.c_output_types.append(o)
|
||||||
self.c_output_types = list(set(self.c_output_types)) # make unique
|
self.c_output_types = list(set(self.c_output_types)) # make unique
|
||||||
|
|
||||||
|
self.m_output_types = []
|
||||||
|
for m in self.materialpoints:
|
||||||
|
for o in f['inc{:05}/materialpoint/{}'.format(self.increments[0]['inc'],m)].keys():
|
||||||
|
self.m_output_types.append(o)
|
||||||
|
self.m_output_types = list(set(self.m_output_types)) # make unique
|
||||||
|
|
||||||
self.active= {'increments': self.increments,
|
self.active= {'increments': self.increments,
|
||||||
'constituents': self.constituents,
|
'constituents': self.constituents,
|
||||||
'materialpoints': self.materialpoints,
|
'materialpoints': self.materialpoints,
|
||||||
'constituent': self.Nconstituents,
|
'constituent': self.Nconstituents,
|
||||||
'c_output_types': self.c_output_types}
|
'c_output_types': self.c_output_types,
|
||||||
|
'm_output_types': self.m_output_types}
|
||||||
|
|
||||||
self.filename = filename
|
self.filename = filename
|
||||||
self.mode = mode
|
self.mode = mode
|
||||||
|
|
||||||
|
|
||||||
def list_data(self):
|
def list_data(self):
|
||||||
"""Shows information on all datasets in the file"""
|
"""Shows information on all datasets in the file"""
|
||||||
with h5py.File(self.filename,'r') as f:
|
with h5py.File(self.filename,'r') as f:
|
||||||
|
|
@ -73,6 +81,16 @@ class DADF5():
|
||||||
print(' {} ({})'.format(x,f[group_output_types+'/'+x].attrs['Description'].decode()))
|
print(' {} ({})'.format(x,f[group_output_types+'/'+x].attrs['Description'].decode()))
|
||||||
except:
|
except:
|
||||||
pass
|
pass
|
||||||
|
for m in self.active['materialpoints']:
|
||||||
|
group_materialpoint = group_inc+'/materialpoint/'+m
|
||||||
|
for t in self.active['m_output_types']:
|
||||||
|
print(' {}'.format(t))
|
||||||
|
group_output_types = group_materialpoint+'/'+t
|
||||||
|
try:
|
||||||
|
for x in f[group_output_types].keys():
|
||||||
|
print(' {} ({})'.format(x,f[group_output_types+'/'+x].attrs['Description'].decode()))
|
||||||
|
except:
|
||||||
|
pass
|
||||||
|
|
||||||
|
|
||||||
def get_dataset_location(self,label):
|
def get_dataset_location(self,label):
|
||||||
|
|
@ -81,14 +99,25 @@ class DADF5():
|
||||||
with h5py.File(self.filename,'r') as f:
|
with h5py.File(self.filename,'r') as f:
|
||||||
for i in self.active['increments']:
|
for i in self.active['increments']:
|
||||||
group_inc = 'inc{:05}'.format(i['inc'])
|
group_inc = 'inc{:05}'.format(i['inc'])
|
||||||
|
|
||||||
for c in self.active['constituents']:
|
for c in self.active['constituents']:
|
||||||
group_constituent = group_inc+'/constituent/'+c
|
group_constituent = group_inc+'/constituent/'+c
|
||||||
for t in self.active['c_output_types']:
|
for t in self.active['c_output_types']:
|
||||||
try:
|
try:
|
||||||
f[group_constituent+'/'+t+'/'+label]
|
f[group_constituent+'/'+t+'/'+label]
|
||||||
path.append(group_constituent+'/'+t+'/'+label)
|
path.append(group_constituent+'/'+t+'/'+label)
|
||||||
except:
|
except Exception as e:
|
||||||
pass
|
print('unable to locate constituents dataset: '+ str(e))
|
||||||
|
|
||||||
|
for m in self.active['materialpoints']:
|
||||||
|
group_materialpoint = group_inc+'/materialpoint/'+m
|
||||||
|
for t in self.active['m_output_types']:
|
||||||
|
try:
|
||||||
|
f[group_materialpoint+'/'+t+'/'+label]
|
||||||
|
path.append(group_materialpoint+'/'+t+'/'+label)
|
||||||
|
except Exception as e:
|
||||||
|
print('unable to locate materialpoints dataset: '+ str(e))
|
||||||
|
|
||||||
return path
|
return path
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -100,12 +129,28 @@ class DADF5():
|
||||||
"""
|
"""
|
||||||
with h5py.File(self.filename,'r') as f:
|
with h5py.File(self.filename,'r') as f:
|
||||||
shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
|
shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
|
||||||
|
if len(shape) == 1: shape = shape +(1,)
|
||||||
dataset = np.full(shape,np.nan)
|
dataset = np.full(shape,np.nan)
|
||||||
for pa in path:
|
for pa in path:
|
||||||
label = pa.split('/')[2]
|
label = pa.split('/')[2]
|
||||||
|
try:
|
||||||
p = np.where(f['mapping/cellResults/constituent'][:,c]['Name'] == str.encode(label))[0]
|
p = np.where(f['mapping/cellResults/constituent'][:,c]['Name'] == str.encode(label))[0]
|
||||||
u = (f['mapping/cellResults/constituent'][p,c]['Position'])
|
u = (f['mapping/cellResults/constituent'][p,c]['Position'])
|
||||||
dataset[p,:] = f[pa][u,:]
|
a = np.array(f[pa])
|
||||||
|
if len(a.shape) == 1:
|
||||||
|
a=a.reshape([a.shape[0],1])
|
||||||
|
dataset[p,:] = a[u,:]
|
||||||
|
except Exception as e:
|
||||||
|
print('unable to read constituent: '+ str(e))
|
||||||
|
try:
|
||||||
|
p = np.where(f['mapping/cellResults/materialpoint']['Name'] == str.encode(label))[0]
|
||||||
|
u = (f['mapping/cellResults/materialpoint'][p.tolist()]['Position'])
|
||||||
|
a = np.array(f[pa])
|
||||||
|
if len(a.shape) == 1:
|
||||||
|
a=a.reshape([a.shape[0],1])
|
||||||
|
dataset[p,:] = a[u,:]
|
||||||
|
except Exception as e:
|
||||||
|
print('unable to read materialpoint: '+ str(e))
|
||||||
|
|
||||||
return dataset
|
return dataset
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -46,7 +46,6 @@
|
||||||
#include "plastic_nonlocal.f90"
|
#include "plastic_nonlocal.f90"
|
||||||
#include "constitutive.f90"
|
#include "constitutive.f90"
|
||||||
#include "crystallite.f90"
|
#include "crystallite.f90"
|
||||||
#include "homogenization_mech_RGC.f90"
|
|
||||||
#include "thermal_isothermal.f90"
|
#include "thermal_isothermal.f90"
|
||||||
#include "thermal_adiabatic.f90"
|
#include "thermal_adiabatic.f90"
|
||||||
#include "thermal_conduction.f90"
|
#include "thermal_conduction.f90"
|
||||||
|
|
@ -56,4 +55,5 @@
|
||||||
#include "homogenization.f90"
|
#include "homogenization.f90"
|
||||||
#include "homogenization_mech_none.f90"
|
#include "homogenization_mech_none.f90"
|
||||||
#include "homogenization_mech_isostrain.f90"
|
#include "homogenization_mech_isostrain.f90"
|
||||||
|
#include "homogenization_mech_RGC.f90"
|
||||||
#include "CPFEM.f90"
|
#include "CPFEM.f90"
|
||||||
|
|
|
||||||
|
|
@ -6,7 +6,20 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module homogenization
|
module homogenization
|
||||||
use prec
|
use prec
|
||||||
|
use IO
|
||||||
|
use config
|
||||||
|
use debug
|
||||||
|
use math
|
||||||
use material
|
use material
|
||||||
|
use numerics
|
||||||
|
use constitutive
|
||||||
|
use crystallite
|
||||||
|
use mesh
|
||||||
|
use FEsolving
|
||||||
|
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||||
|
use results
|
||||||
|
use HDF5_utilities
|
||||||
|
#endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! General variables for the homogenization at a material point
|
! General variables for the homogenization at a material point
|
||||||
|
|
@ -22,7 +35,6 @@ module homogenization
|
||||||
materialpoint_results !< results array of material point
|
materialpoint_results !< results array of material point
|
||||||
integer, public, protected :: &
|
integer, public, protected :: &
|
||||||
materialpoint_sizeResults, &
|
materialpoint_sizeResults, &
|
||||||
homogenization_maxSizePostResults, &
|
|
||||||
thermal_maxSizePostResults, &
|
thermal_maxSizePostResults, &
|
||||||
damage_maxSizePostResults
|
damage_maxSizePostResults
|
||||||
|
|
||||||
|
|
@ -47,11 +59,24 @@ module homogenization
|
||||||
module subroutine mech_isostrain_init
|
module subroutine mech_isostrain_init
|
||||||
end subroutine mech_isostrain_init
|
end subroutine mech_isostrain_init
|
||||||
|
|
||||||
|
module subroutine mech_RGC_init
|
||||||
|
end subroutine mech_RGC_init
|
||||||
|
|
||||||
|
|
||||||
module subroutine mech_isostrain_partitionDeformation(F,avgF)
|
module subroutine mech_isostrain_partitionDeformation(F,avgF)
|
||||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||||
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||||
end subroutine mech_isostrain_partitionDeformation
|
end subroutine mech_isostrain_partitionDeformation
|
||||||
|
|
||||||
|
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
|
||||||
|
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
||||||
|
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||||
|
integer, intent(in) :: &
|
||||||
|
instance, &
|
||||||
|
of
|
||||||
|
end subroutine mech_RGC_partitionDeformation
|
||||||
|
|
||||||
|
|
||||||
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||||
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
||||||
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
||||||
|
|
@ -61,6 +86,36 @@ module homogenization
|
||||||
integer, intent(in) :: instance
|
integer, intent(in) :: instance
|
||||||
end subroutine mech_isostrain_averageStressAndItsTangent
|
end subroutine mech_isostrain_averageStressAndItsTangent
|
||||||
|
|
||||||
|
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||||
|
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
||||||
|
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
||||||
|
|
||||||
|
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
|
||||||
|
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||||
|
integer, intent(in) :: instance
|
||||||
|
end subroutine mech_RGC_averageStressAndItsTangent
|
||||||
|
|
||||||
|
|
||||||
|
module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
|
logical, dimension(2) :: mech_RGC_updateState
|
||||||
|
real(pReal), dimension(:,:,:), intent(in) :: &
|
||||||
|
P,& !< partitioned stresses
|
||||||
|
F,& !< partitioned deformation gradients
|
||||||
|
F0 !< partitioned initial deformation gradients
|
||||||
|
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||||
|
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
||||||
|
real(pReal), intent(in) :: dt !< time increment
|
||||||
|
integer, intent(in) :: &
|
||||||
|
ip, & !< integration point number
|
||||||
|
el !< element number
|
||||||
|
end function mech_RGC_updateState
|
||||||
|
|
||||||
|
|
||||||
|
module subroutine mech_RGC_results(instance,group)
|
||||||
|
integer, intent(in) :: instance !< homogenization instance
|
||||||
|
character(len=*), intent(in) :: group !< group name in HDF5 file
|
||||||
|
end subroutine mech_RGC_results
|
||||||
|
|
||||||
end interface
|
end interface
|
||||||
|
|
||||||
public :: &
|
public :: &
|
||||||
|
|
@ -68,11 +123,6 @@ module homogenization
|
||||||
materialpoint_stressAndItsTangent, &
|
materialpoint_stressAndItsTangent, &
|
||||||
materialpoint_postResults, &
|
materialpoint_postResults, &
|
||||||
homogenization_results
|
homogenization_results
|
||||||
private :: &
|
|
||||||
partitionDeformation, &
|
|
||||||
updateState, &
|
|
||||||
averageStressAndItsTangent, &
|
|
||||||
postResults
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
@ -81,36 +131,12 @@ contains
|
||||||
!> @brief module initialization
|
!> @brief module initialization
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_init
|
subroutine homogenization_init
|
||||||
use math, only: &
|
|
||||||
math_I3
|
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_homogenization, &
|
|
||||||
debug_levelBasic, &
|
|
||||||
debug_e, &
|
|
||||||
debug_g
|
|
||||||
use mesh, only: &
|
|
||||||
theMesh, &
|
|
||||||
mesh_element
|
|
||||||
use constitutive, only: &
|
|
||||||
constitutive_plasticity_maxSizePostResults, &
|
|
||||||
constitutive_source_maxSizePostResults
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_maxSizePostResults
|
|
||||||
use config, only: &
|
|
||||||
config_deallocate, &
|
|
||||||
config_homogenization, &
|
|
||||||
homogenization_name
|
|
||||||
use homogenization_mech_RGC
|
|
||||||
use thermal_isothermal
|
use thermal_isothermal
|
||||||
use thermal_adiabatic
|
use thermal_adiabatic
|
||||||
use thermal_conduction
|
use thermal_conduction
|
||||||
use damage_none
|
use damage_none
|
||||||
use damage_local
|
use damage_local
|
||||||
use damage_nonlocal
|
use damage_nonlocal
|
||||||
use IO
|
|
||||||
use numerics, only: &
|
|
||||||
worldrank
|
|
||||||
|
|
||||||
integer, parameter :: FILEUNIT = 200
|
integer, parameter :: FILEUNIT = 200
|
||||||
integer :: e,i,p
|
integer :: e,i,p
|
||||||
|
|
@ -120,10 +146,9 @@ subroutine homogenization_init
|
||||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||||
logical :: valid
|
logical :: valid
|
||||||
|
|
||||||
|
|
||||||
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
|
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
|
||||||
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
|
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
|
||||||
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call homogenization_RGC_init
|
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init
|
||||||
|
|
||||||
if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
|
if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
|
||||||
if (any(thermal_type == THERMAL_adiabatic_ID)) call thermal_adiabatic_init
|
if (any(thermal_type == THERMAL_adiabatic_ID)) call thermal_adiabatic_init
|
||||||
|
|
@ -135,39 +160,14 @@ subroutine homogenization_init
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! write description file for homogenization output
|
! write description file for homogenization output
|
||||||
mainProcess2: if (worldrank == 0) then
|
mainProcess: if (worldrank == 0) then
|
||||||
call IO_write_jobFile(FILEUNIT,'outputHomogenization')
|
call IO_write_jobFile(FILEUNIT,'outputHomogenization')
|
||||||
do p = 1,size(config_homogenization)
|
do p = 1,size(config_homogenization)
|
||||||
if (any(material_homogenizationAt == p)) then
|
if (any(material_homogenizationAt == p)) then
|
||||||
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
|
||||||
valid = .true. ! assume valid
|
|
||||||
select case(homogenization_type(p)) ! split per homogenization type
|
|
||||||
case (HOMOGENIZATION_NONE_ID)
|
|
||||||
outputName = HOMOGENIZATION_NONE_label
|
|
||||||
thisOutput => null()
|
|
||||||
thisSize => null()
|
|
||||||
case (HOMOGENIZATION_ISOSTRAIN_ID)
|
|
||||||
outputName = HOMOGENIZATION_ISOSTRAIN_label
|
|
||||||
thisOutput => null()
|
|
||||||
thisSize => null()
|
|
||||||
case (HOMOGENIZATION_RGC_ID)
|
|
||||||
outputName = HOMOGENIZATION_RGC_label
|
|
||||||
thisOutput => homogenization_RGC_output
|
|
||||||
thisSize => homogenization_RGC_sizePostResult
|
|
||||||
case default
|
|
||||||
valid = .false.
|
|
||||||
end select
|
|
||||||
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
||||||
if (valid) then
|
write(FILEUNIT,'(a)') '(type) n/a'
|
||||||
write(FILEUNIT,'(a)') '(type)'//char(9)//trim(outputName)
|
|
||||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||||
if (homogenization_type(p) /= HOMOGENIZATION_NONE_ID .and. &
|
|
||||||
homogenization_type(p) /= HOMOGENIZATION_ISOSTRAIN_ID) then
|
|
||||||
do e = 1,size(thisOutput(:,i))
|
|
||||||
write(FILEUNIT,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
|
|
||||||
enddo
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
i = thermal_typeInstance(p) ! which instance of this thermal type
|
i = thermal_typeInstance(p) ! which instance of this thermal type
|
||||||
valid = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(thermal_type(p)) ! split per thermal type
|
select case(thermal_type(p)) ! split per thermal type
|
||||||
|
|
@ -197,6 +197,7 @@ subroutine homogenization_init
|
||||||
enddo
|
enddo
|
||||||
endif
|
endif
|
||||||
endif
|
endif
|
||||||
|
|
||||||
i = damage_typeInstance(p) ! which instance of this damage type
|
i = damage_typeInstance(p) ! which instance of this damage type
|
||||||
valid = .true. ! assume valid
|
valid = .true. ! assume valid
|
||||||
select case(damage_type(p)) ! split per damage type
|
select case(damage_type(p)) ! split per damage type
|
||||||
|
|
@ -229,7 +230,7 @@ subroutine homogenization_init
|
||||||
endif
|
endif
|
||||||
enddo
|
enddo
|
||||||
close(FILEUNIT)
|
close(FILEUNIT)
|
||||||
endif mainProcess2
|
endif mainProcess
|
||||||
|
|
||||||
call config_deallocate('material.config/homogenization')
|
call config_deallocate('material.config/homogenization')
|
||||||
|
|
||||||
|
|
@ -252,18 +253,15 @@ subroutine homogenization_init
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! allocate and initialize global state and postresutls variables
|
! allocate and initialize global state and postresutls variables
|
||||||
homogenization_maxSizePostResults = 0
|
|
||||||
thermal_maxSizePostResults = 0
|
thermal_maxSizePostResults = 0
|
||||||
damage_maxSizePostResults = 0
|
damage_maxSizePostResults = 0
|
||||||
do p = 1,size(config_homogenization)
|
do p = 1,size(config_homogenization)
|
||||||
homogenization_maxSizePostResults = max(homogenization_maxSizePostResults,homogState (p)%sizePostResults)
|
|
||||||
thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState (p)%sizePostResults)
|
thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState (p)%sizePostResults)
|
||||||
damage_maxSizePostResults = max(damage_maxSizePostResults ,damageState (p)%sizePostResults)
|
damage_maxSizePostResults = max(damage_maxSizePostResults ,damageState (p)%sizePostResults)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
materialpoint_sizeResults = 1 & ! grain count
|
materialpoint_sizeResults = 1 & ! grain count
|
||||||
+ 1 + homogenization_maxSizePostResults & ! homogSize & homogResult
|
+ 1 + thermal_maxSizePostResults &
|
||||||
+ thermal_maxSizePostResults &
|
|
||||||
+ damage_maxSizePostResults &
|
+ damage_maxSizePostResults &
|
||||||
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
|
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
|
||||||
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
|
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
|
||||||
|
|
@ -273,11 +271,6 @@ subroutine homogenization_init
|
||||||
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
|
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
|
||||||
|
|
||||||
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0) then
|
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0) then
|
||||||
#ifdef TODO
|
|
||||||
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state0: ', shape(homogenization_state0)
|
|
||||||
write(6,'(a32,1x,7(i8,1x))') 'homogenization_subState0: ', shape(homogenization_subState0)
|
|
||||||
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state: ', shape(homogenization_state)
|
|
||||||
#endif
|
|
||||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
|
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
|
||||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F0: ', shape(materialpoint_F0)
|
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F0: ', shape(materialpoint_F0)
|
||||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F: ', shape(materialpoint_F)
|
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F: ', shape(materialpoint_F)
|
||||||
|
|
@ -303,51 +296,6 @@ end subroutine homogenization_init
|
||||||
!> @brief parallelized calculation of stress and corresponding tangent at material points
|
!> @brief parallelized calculation of stress and corresponding tangent at material points
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
use numerics, only: &
|
|
||||||
subStepMinHomog, &
|
|
||||||
subStepSizeHomog, &
|
|
||||||
stepIncreaseHomog, &
|
|
||||||
nMPstate
|
|
||||||
use FEsolving, only: &
|
|
||||||
FEsolving_execElem, &
|
|
||||||
FEsolving_execIP, &
|
|
||||||
terminallyIll
|
|
||||||
use mesh, only: &
|
|
||||||
mesh_element
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_F0, &
|
|
||||||
crystallite_Fp0, &
|
|
||||||
crystallite_Fp, &
|
|
||||||
crystallite_Fi0, &
|
|
||||||
crystallite_Fi, &
|
|
||||||
crystallite_Lp0, &
|
|
||||||
crystallite_Lp, &
|
|
||||||
crystallite_Li0, &
|
|
||||||
crystallite_Li, &
|
|
||||||
crystallite_S0, &
|
|
||||||
crystallite_S, &
|
|
||||||
crystallite_partionedF0, &
|
|
||||||
crystallite_partionedF, &
|
|
||||||
crystallite_partionedFp0, &
|
|
||||||
crystallite_partionedLp0, &
|
|
||||||
crystallite_partionedFi0, &
|
|
||||||
crystallite_partionedLi0, &
|
|
||||||
crystallite_partionedS0, &
|
|
||||||
crystallite_dt, &
|
|
||||||
crystallite_requested, &
|
|
||||||
crystallite_stress, &
|
|
||||||
crystallite_stressTangent, &
|
|
||||||
crystallite_orientations
|
|
||||||
#ifdef DEBUG
|
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_homogenization, &
|
|
||||||
debug_levelBasic, &
|
|
||||||
debug_levelExtensive, &
|
|
||||||
debug_levelSelective, &
|
|
||||||
debug_e, &
|
|
||||||
debug_i
|
|
||||||
#endif
|
|
||||||
|
|
||||||
real(pReal), intent(in) :: dt !< time increment
|
real(pReal), intent(in) :: dt !< time increment
|
||||||
logical, intent(in) :: updateJaco !< initiating Jacobian update
|
logical, intent(in) :: updateJaco !< initiating Jacobian update
|
||||||
|
|
@ -375,7 +323,8 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
! initialize restoration points of ...
|
! initialize restoration points of ...
|
||||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||||
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
||||||
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e); do g = 1,myNgrains
|
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e);
|
||||||
|
do g = 1,myNgrains
|
||||||
|
|
||||||
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
|
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
|
||||||
plasticState (phaseAt(g,i,e))%state0( :,phasememberAt(g,i,e))
|
plasticState (phaseAt(g,i,e))%state0( :,phasememberAt(g,i,e))
|
||||||
|
|
@ -384,34 +333,36 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
sourceState(phaseAt(g,i,e))%p(mySource)%state0( :,phasememberAt(g,i,e))
|
sourceState(phaseAt(g,i,e))%p(mySource)%state0( :,phasememberAt(g,i,e))
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
crystallite_partionedFp0(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e) ! ...plastic def grads
|
crystallite_partionedFp0(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
|
||||||
crystallite_partionedLp0(1:3,1:3,g,i,e) = crystallite_Lp0(1:3,1:3,g,i,e) ! ...plastic velocity grads
|
crystallite_partionedLp0(1:3,1:3,g,i,e) = crystallite_Lp0(1:3,1:3,g,i,e)
|
||||||
crystallite_partionedFi0(1:3,1:3,g,i,e) = crystallite_Fi0(1:3,1:3,g,i,e) ! ...intermediate def grads
|
crystallite_partionedFi0(1:3,1:3,g,i,e) = crystallite_Fi0(1:3,1:3,g,i,e)
|
||||||
crystallite_partionedLi0(1:3,1:3,g,i,e) = crystallite_Li0(1:3,1:3,g,i,e) ! ...intermediate velocity grads
|
crystallite_partionedLi0(1:3,1:3,g,i,e) = crystallite_Li0(1:3,1:3,g,i,e)
|
||||||
crystallite_partionedF0(1:3,1:3,g,i,e) = crystallite_F0(1:3,1:3,g,i,e) ! ...def grads
|
crystallite_partionedF0(1:3,1:3,g,i,e) = crystallite_F0(1:3,1:3,g,i,e)
|
||||||
crystallite_partionedS0(1:3,1:3,g,i,e) = crystallite_S0(1:3,1:3,g,i,e) ! ...2nd PK stress
|
crystallite_partionedS0(1:3,1:3,g,i,e) = crystallite_S0(1:3,1:3,g,i,e)
|
||||||
|
|
||||||
enddo; enddo
|
enddo
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e))
|
|
||||||
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_F0(1:3,1:3,i,e) ! ...def grad
|
|
||||||
|
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_F0(1:3,1:3,i,e)
|
||||||
materialpoint_subFrac(i,e) = 0.0_pReal
|
materialpoint_subFrac(i,e) = 0.0_pReal
|
||||||
materialpoint_subStep(i,e) = 1.0_pReal/subStepSizeHomog ! <<added to adopt flexibility in cutback size>>
|
materialpoint_subStep(i,e) = 1.0_pReal/subStepSizeHomog ! <<added to adopt flexibility in cutback size>>
|
||||||
materialpoint_converged(i,e) = .false. ! pretend failed step of twice the required size
|
materialpoint_converged(i,e) = .false. ! pretend failed step of twice the required size
|
||||||
materialpoint_requested(i,e) = .true. ! everybody requires calculation
|
materialpoint_requested(i,e) = .true. ! everybody requires calculation
|
||||||
endforall
|
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if (homogState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
homogState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||||
homogState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal homogenization state
|
homogState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal homogenization state
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
|
||||||
thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
if (thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||||
thermalState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal thermal state
|
thermalState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal thermal state
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
|
||||||
damageState(material_homogenizationAt(e))%sizeState > 0) &
|
if (damageState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||||
damageState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal damage state
|
damageState(material_homogenizationAt(e))%State0( :,mappingHomogenization(1,i,e)) ! ...internal damage state
|
||||||
enddo
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
NiterationHomog = 0
|
NiterationHomog = 0
|
||||||
|
|
||||||
cutBackLooping: do while (.not. terminallyIll .and. &
|
cutBackLooping: do while (.not. terminallyIll .and. &
|
||||||
|
|
@ -422,7 +373,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
||||||
IpLooping1: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
IpLooping1: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
|
||||||
|
|
||||||
converged: if ( materialpoint_converged(i,e) ) then
|
converged: if (materialpoint_converged(i,e)) then
|
||||||
#ifdef DEBUG
|
#ifdef DEBUG
|
||||||
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0 &
|
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0 &
|
||||||
.and. ((e == debug_e .and. i == debug_i) &
|
.and. ((e == debug_e .and. i == debug_i) &
|
||||||
|
|
@ -443,22 +394,22 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
|
|
||||||
! wind forward grain starting point of...
|
! wind forward grain starting point of...
|
||||||
crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_partionedF(1:3,1:3,1:myNgrains,i,e) ! ...def grads
|
crystallite_partionedF(1:3,1:3,1:myNgrains,i,e)
|
||||||
|
|
||||||
crystallite_partionedFp0 (1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_partionedFp0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_Fp (1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
|
crystallite_Fp (1:3,1:3,1:myNgrains,i,e)
|
||||||
|
|
||||||
crystallite_partionedLp0 (1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_partionedLp0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_Lp (1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
|
crystallite_Lp (1:3,1:3,1:myNgrains,i,e)
|
||||||
|
|
||||||
crystallite_partionedFi0 (1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_partionedFi0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_Fi (1:3,1:3,1:myNgrains,i,e) ! ...intermediate def grads
|
crystallite_Fi (1:3,1:3,1:myNgrains,i,e)
|
||||||
|
|
||||||
crystallite_partionedLi0 (1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_partionedLi0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_Li (1:3,1:3,1:myNgrains,i,e) ! ...intermediate velocity grads
|
crystallite_Li (1:3,1:3,1:myNgrains,i,e)
|
||||||
|
|
||||||
crystallite_partionedS0 (1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_partionedS0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_S (1:3,1:3,1:myNgrains,i,e) ! ...2nd PK stress
|
crystallite_S (1:3,1:3,1:myNgrains,i,e)
|
||||||
|
|
||||||
do g = 1,myNgrains
|
do g = 1,myNgrains
|
||||||
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
|
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
|
||||||
|
|
@ -469,19 +420,18 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
homogState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||||
homogState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e)) ! ...internal homogenization state
|
homogState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if(thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||||
thermalState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e)) ! ...internal thermal state
|
thermalState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if(damageState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
damageState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||||
damageState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e)) ! ...internal damage state
|
damageState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e))
|
||||||
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e) ! ...def grad
|
|
||||||
|
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e)
|
||||||
|
|
||||||
endif steppingNeeded
|
endif steppingNeeded
|
||||||
|
|
||||||
else converged
|
else converged
|
||||||
|
|
@ -514,16 +464,16 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
! restore...
|
! restore...
|
||||||
if (materialpoint_subStep(i,e) < 1.0_pReal) then ! protect against fake cutback from \Delta t = 2 to 1. Maybe that "trick" is not necessary anymore at all? I.e. start with \Delta t = 1
|
if (materialpoint_subStep(i,e) < 1.0_pReal) then ! protect against fake cutback from \Delta t = 2 to 1. Maybe that "trick" is not necessary anymore at all? I.e. start with \Delta t = 1
|
||||||
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
|
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e)
|
||||||
crystallite_Li(1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_Li(1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e) ! ...intermediate velocity grads
|
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e)
|
||||||
endif ! maybe protecting everything from overwriting (not only L) makes even more sense
|
endif ! maybe protecting everything from overwriting (not only L) makes even more sense
|
||||||
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
|
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e)
|
||||||
crystallite_Fi(1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_Fi(1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e) ! ...intermediate def grads
|
crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e)
|
||||||
crystallite_S(1:3,1:3,1:myNgrains,i,e) = &
|
crystallite_S(1:3,1:3,1:myNgrains,i,e) = &
|
||||||
crystallite_partionedS0(1:3,1:3,1:myNgrains,i,e) ! ...2nd PK stress
|
crystallite_partionedS0(1:3,1:3,1:myNgrains,i,e)
|
||||||
do g = 1, myNgrains
|
do g = 1, myNgrains
|
||||||
plasticState (phaseAt(g,i,e))%state( :,phasememberAt(g,i,e)) = &
|
plasticState (phaseAt(g,i,e))%state( :,phasememberAt(g,i,e)) = &
|
||||||
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e))
|
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e))
|
||||||
|
|
@ -532,18 +482,15 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||||
sourceState(phaseAt(g,i,e))%p(mySource)%partionedState0(:,phasememberAt(g,i,e))
|
sourceState(phaseAt(g,i,e))%p(mySource)%partionedState0(:,phasememberAt(g,i,e))
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
homogState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
homogState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
homogState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
||||||
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) ! ...internal homogenization state
|
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if(thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
thermalState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
thermalState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
||||||
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) ! ...internal thermal state
|
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
|
||||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
if(damageState(material_homogenizationAt(e))%sizeState > 0) &
|
||||||
damageState(material_homogenizationAt(e))%sizeState > 0) &
|
|
||||||
damageState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
damageState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) = &
|
||||||
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) ! ...internal damage state
|
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e))
|
||||||
endif
|
endif
|
||||||
endif converged
|
endif converged
|
||||||
|
|
||||||
|
|
@ -641,14 +588,6 @@ end subroutine materialpoint_stressAndItsTangent
|
||||||
!> @brief parallelized calculation of result array at material points
|
!> @brief parallelized calculation of result array at material points
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine materialpoint_postResults
|
subroutine materialpoint_postResults
|
||||||
use FEsolving, only: &
|
|
||||||
FEsolving_execElem, &
|
|
||||||
FEsolving_execIP
|
|
||||||
use mesh, only: &
|
|
||||||
mesh_element
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_sizePostResults, &
|
|
||||||
crystallite_postResults
|
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
thePos, &
|
thePos, &
|
||||||
|
|
@ -698,12 +637,6 @@ end subroutine materialpoint_postResults
|
||||||
!> @brief partition material point def grad onto constituents
|
!> @brief partition material point def grad onto constituents
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine partitionDeformation(ip,el)
|
subroutine partitionDeformation(ip,el)
|
||||||
use mesh, only: &
|
|
||||||
mesh_element
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_partionedF
|
|
||||||
use homogenization_mech_RGC, only: &
|
|
||||||
homogenization_RGC_partitionDeformation
|
|
||||||
|
|
||||||
integer, intent(in) :: &
|
integer, intent(in) :: &
|
||||||
ip, & !< integration point
|
ip, & !< integration point
|
||||||
|
|
@ -720,7 +653,7 @@ subroutine partitionDeformation(ip,el)
|
||||||
materialpoint_subF(1:3,1:3,ip,el))
|
materialpoint_subF(1:3,1:3,ip,el))
|
||||||
|
|
||||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||||
call homogenization_RGC_partitionDeformation(&
|
call mech_RGC_partitionDeformation(&
|
||||||
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||||
materialpoint_subF(1:3,1:3,ip,el),&
|
materialpoint_subF(1:3,1:3,ip,el),&
|
||||||
ip, &
|
ip, &
|
||||||
|
|
@ -735,15 +668,6 @@ end subroutine partitionDeformation
|
||||||
!> "happy" with result
|
!> "happy" with result
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function updateState(ip,el)
|
function updateState(ip,el)
|
||||||
use mesh, only: &
|
|
||||||
mesh_element
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_P, &
|
|
||||||
crystallite_dPdF, &
|
|
||||||
crystallite_partionedF,&
|
|
||||||
crystallite_partionedF0
|
|
||||||
use homogenization_mech_RGC, only: &
|
|
||||||
homogenization_RGC_updateState
|
|
||||||
use thermal_adiabatic, only: &
|
use thermal_adiabatic, only: &
|
||||||
thermal_adiabatic_updateState
|
thermal_adiabatic_updateState
|
||||||
use damage_local, only: &
|
use damage_local, only: &
|
||||||
|
|
@ -759,7 +683,7 @@ function updateState(ip,el)
|
||||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||||
updateState = &
|
updateState = &
|
||||||
updateState .and. &
|
updateState .and. &
|
||||||
homogenization_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||||
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||||
crystallite_partionedF0(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el),&
|
crystallite_partionedF0(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el),&
|
||||||
materialpoint_subF(1:3,1:3,ip,el),&
|
materialpoint_subF(1:3,1:3,ip,el),&
|
||||||
|
|
@ -794,12 +718,6 @@ end function updateState
|
||||||
!> @brief derive average stress and stiffness from constituent quantities
|
!> @brief derive average stress and stiffness from constituent quantities
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine averageStressAndItsTangent(ip,el)
|
subroutine averageStressAndItsTangent(ip,el)
|
||||||
use mesh, only: &
|
|
||||||
mesh_element
|
|
||||||
use crystallite, only: &
|
|
||||||
crystallite_P,crystallite_dPdF
|
|
||||||
use homogenization_mech_RGC, only: &
|
|
||||||
homogenization_RGC_averageStressAndItsTangent
|
|
||||||
|
|
||||||
integer, intent(in) :: &
|
integer, intent(in) :: &
|
||||||
ip, & !< integration point
|
ip, & !< integration point
|
||||||
|
|
@ -819,7 +737,7 @@ subroutine averageStressAndItsTangent(ip,el)
|
||||||
homogenization_typeInstance(mesh_element(3,el)))
|
homogenization_typeInstance(mesh_element(3,el)))
|
||||||
|
|
||||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||||
call homogenization_RGC_averageStressAndItsTangent(&
|
call mech_RGC_averageStressAndItsTangent(&
|
||||||
materialpoint_P(1:3,1:3,ip,el), &
|
materialpoint_P(1:3,1:3,ip,el), &
|
||||||
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
|
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
|
||||||
crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||||
|
|
@ -835,10 +753,6 @@ end subroutine averageStressAndItsTangent
|
||||||
!> if homogenization_sizePostResults(i,e) > 0 !!
|
!> if homogenization_sizePostResults(i,e) > 0 !!
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function postResults(ip,el)
|
function postResults(ip,el)
|
||||||
use mesh, only: &
|
|
||||||
mesh_element
|
|
||||||
use homogenization_mech_RGC, only: &
|
|
||||||
homogenization_RGC_postResults
|
|
||||||
use thermal_adiabatic, only: &
|
use thermal_adiabatic, only: &
|
||||||
thermal_adiabatic_postResults
|
thermal_adiabatic_postResults
|
||||||
use thermal_conduction, only: &
|
use thermal_conduction, only: &
|
||||||
|
|
@ -857,23 +771,12 @@ function postResults(ip,el)
|
||||||
postResults
|
postResults
|
||||||
integer :: &
|
integer :: &
|
||||||
startPos, endPos ,&
|
startPos, endPos ,&
|
||||||
of, instance, homog
|
homog
|
||||||
|
|
||||||
|
|
||||||
postResults = 0.0_pReal
|
postResults = 0.0_pReal
|
||||||
startPos = 1
|
startPos = 1
|
||||||
endPos = homogState(material_homogenizationAt(el))%sizePostResults
|
endPos = thermalState(material_homogenizationAt(el))%sizePostResults
|
||||||
chosenHomogenization: select case (homogenization_type(mesh_element(3,el)))
|
|
||||||
|
|
||||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
|
||||||
instance = homogenization_typeInstance(material_homogenizationAt(el))
|
|
||||||
of = mappingHomogenization(1,ip,el)
|
|
||||||
postResults(startPos:endPos) = homogenization_RGC_postResults(instance,of)
|
|
||||||
|
|
||||||
end select chosenHomogenization
|
|
||||||
|
|
||||||
startPos = endPos + 1
|
|
||||||
endPos = endPos + thermalState(material_homogenizationAt(el))%sizePostResults
|
|
||||||
chosenThermal: select case (thermal_type(mesh_element(3,el)))
|
chosenThermal: select case (thermal_type(mesh_element(3,el)))
|
||||||
|
|
||||||
case (THERMAL_adiabatic_ID) chosenThermal
|
case (THERMAL_adiabatic_ID) chosenThermal
|
||||||
|
|
@ -906,14 +809,9 @@ end function postResults
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_results
|
subroutine homogenization_results
|
||||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||||
use results
|
|
||||||
use homogenization_mech_RGC
|
|
||||||
use HDF5_utilities
|
|
||||||
use config, only: &
|
use config, only: &
|
||||||
config_name_homogenization => homogenization_name ! anticipate logical name
|
config_name_homogenization => homogenization_name ! anticipate logical name
|
||||||
|
|
||||||
use material, only: &
|
use material, only: &
|
||||||
homogenization_typeInstance, &
|
|
||||||
material_homogenization_type => homogenization_type
|
material_homogenization_type => homogenization_type
|
||||||
|
|
||||||
integer :: p
|
integer :: p
|
||||||
|
|
|
||||||
|
|
@ -6,16 +6,7 @@
|
||||||
!> @brief Relaxed grain cluster (RGC) homogenization scheme
|
!> @brief Relaxed grain cluster (RGC) homogenization scheme
|
||||||
!> Nconstituents is defined as p x q x r (cluster)
|
!> Nconstituents is defined as p x q x r (cluster)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module homogenization_mech_RGC
|
submodule(homogenization) homogenization_mech_RGC
|
||||||
use prec
|
|
||||||
use material
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
private
|
|
||||||
integer, dimension(:,:), allocatable,target, public :: &
|
|
||||||
homogenization_RGC_sizePostResult
|
|
||||||
character(len=64), dimension(:,:), allocatable,target, public :: &
|
|
||||||
homogenization_RGC_output ! name of each post result output
|
|
||||||
|
|
||||||
enum, bind(c)
|
enum, bind(c)
|
||||||
enumerator :: &
|
enumerator :: &
|
||||||
|
|
@ -28,7 +19,7 @@ module homogenization_mech_RGC
|
||||||
magnitudemismatch_ID
|
magnitudemismatch_ID
|
||||||
end enum
|
end enum
|
||||||
|
|
||||||
type, private :: tParameters
|
type :: tParameters
|
||||||
integer, dimension(:), allocatable :: &
|
integer, dimension(:), allocatable :: &
|
||||||
Nconstituents
|
Nconstituents
|
||||||
real(pReal) :: &
|
real(pReal) :: &
|
||||||
|
|
@ -43,7 +34,7 @@ module homogenization_mech_RGC
|
||||||
outputID
|
outputID
|
||||||
end type tParameters
|
end type tParameters
|
||||||
|
|
||||||
type, private :: tRGCstate
|
type :: tRGCstate
|
||||||
real(pReal), pointer, dimension(:) :: &
|
real(pReal), pointer, dimension(:) :: &
|
||||||
work, &
|
work, &
|
||||||
penaltyEnergy
|
penaltyEnergy
|
||||||
|
|
@ -51,7 +42,7 @@ module homogenization_mech_RGC
|
||||||
relaxationVector
|
relaxationVector
|
||||||
end type tRGCstate
|
end type tRGCstate
|
||||||
|
|
||||||
type, private :: tRGCdependentState
|
type :: tRGCdependentState
|
||||||
real(pReal), allocatable, dimension(:) :: &
|
real(pReal), allocatable, dimension(:) :: &
|
||||||
volumeDiscrepancy, &
|
volumeDiscrepancy, &
|
||||||
relaxationRate_avg, &
|
relaxationRate_avg, &
|
||||||
|
|
@ -62,56 +53,25 @@ module homogenization_mech_RGC
|
||||||
orientation
|
orientation
|
||||||
end type tRGCdependentState
|
end type tRGCdependentState
|
||||||
|
|
||||||
type(tparameters), dimension(:), allocatable, private :: &
|
type(tparameters), dimension(:), allocatable :: &
|
||||||
param
|
param
|
||||||
type(tRGCstate), dimension(:), allocatable, private :: &
|
type(tRGCstate), dimension(:), allocatable :: &
|
||||||
state, &
|
state, &
|
||||||
state0
|
state0
|
||||||
type(tRGCdependentState), dimension(:), allocatable, private :: &
|
type(tRGCdependentState), dimension(:), allocatable :: &
|
||||||
dependentState
|
dependentState
|
||||||
|
|
||||||
public :: &
|
|
||||||
homogenization_RGC_init, &
|
|
||||||
homogenization_RGC_partitionDeformation, &
|
|
||||||
homogenization_RGC_averageStressAndItsTangent, &
|
|
||||||
homogenization_RGC_updateState, &
|
|
||||||
homogenization_RGC_postResults, &
|
|
||||||
mech_RGC_results ! name suited for planned submodule situation
|
|
||||||
private :: &
|
|
||||||
relaxationVector, &
|
|
||||||
interfaceNormal, &
|
|
||||||
getInterface, &
|
|
||||||
grain1to3, &
|
|
||||||
grain3to1, &
|
|
||||||
interface4to1, &
|
|
||||||
interface1to4
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all necessary fields, reads information from material configuration file
|
!> @brief allocates all necessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_RGC_init()
|
module subroutine mech_RGC_init
|
||||||
use debug, only: &
|
|
||||||
#ifdef DEBUG
|
|
||||||
debug_i, &
|
|
||||||
debug_e, &
|
|
||||||
#endif
|
|
||||||
debug_level, &
|
|
||||||
debug_homogenization, &
|
|
||||||
debug_levelBasic
|
|
||||||
use math, only: &
|
|
||||||
math_EulerToR, &
|
|
||||||
INRAD
|
|
||||||
use IO, only: &
|
|
||||||
IO_error
|
|
||||||
use config, only: &
|
|
||||||
config_homogenization
|
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
Ninstance, &
|
Ninstance, &
|
||||||
h, i, &
|
h, i, &
|
||||||
NofMyHomog, outputSize, &
|
NofMyHomog, &
|
||||||
sizeState, nIntFaceTot
|
sizeState, nIntFaceTot
|
||||||
|
|
||||||
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
|
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
|
||||||
|
|
@ -139,9 +99,6 @@ subroutine homogenization_RGC_init()
|
||||||
allocate(state0(Ninstance))
|
allocate(state0(Ninstance))
|
||||||
allocate(dependentState(Ninstance))
|
allocate(dependentState(Ninstance))
|
||||||
|
|
||||||
allocate(homogenization_RGC_sizePostResult(maxval(homogenization_Noutput),Ninstance),source=0)
|
|
||||||
allocate(homogenization_RGC_output(maxval(homogenization_Noutput),Ninstance))
|
|
||||||
homogenization_RGC_output=''
|
|
||||||
|
|
||||||
do h = 1, size(homogenization_type)
|
do h = 1, size(homogenization_type)
|
||||||
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
|
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
|
||||||
|
|
@ -176,28 +133,20 @@ subroutine homogenization_RGC_init()
|
||||||
|
|
||||||
case('constitutivework')
|
case('constitutivework')
|
||||||
outputID = constitutivework_ID
|
outputID = constitutivework_ID
|
||||||
outputSize = 1
|
|
||||||
case('penaltyenergy')
|
case('penaltyenergy')
|
||||||
outputID = penaltyenergy_ID
|
outputID = penaltyenergy_ID
|
||||||
outputSize = 1
|
|
||||||
case('volumediscrepancy')
|
case('volumediscrepancy')
|
||||||
outputID = volumediscrepancy_ID
|
outputID = volumediscrepancy_ID
|
||||||
outputSize = 1
|
|
||||||
case('averagerelaxrate')
|
case('averagerelaxrate')
|
||||||
outputID = averagerelaxrate_ID
|
outputID = averagerelaxrate_ID
|
||||||
outputSize = 1
|
|
||||||
case('maximumrelaxrate')
|
case('maximumrelaxrate')
|
||||||
outputID = maximumrelaxrate_ID
|
outputID = maximumrelaxrate_ID
|
||||||
outputSize = 1
|
|
||||||
case('magnitudemismatch')
|
case('magnitudemismatch')
|
||||||
outputID = magnitudemismatch_ID
|
outputID = magnitudemismatch_ID
|
||||||
outputSize = 3
|
|
||||||
|
|
||||||
end select
|
end select
|
||||||
|
|
||||||
if (outputID /= undefined_ID) then
|
if (outputID /= undefined_ID) then
|
||||||
homogenization_RGC_output(i,homogenization_typeInstance(h)) = outputs(i)
|
|
||||||
homogenization_RGC_sizePostResult(i,homogenization_typeInstance(h)) = outputSize
|
|
||||||
prm%outputID = [prm%outputID , outputID]
|
prm%outputID = [prm%outputID , outputID]
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -211,7 +160,7 @@ subroutine homogenization_RGC_init()
|
||||||
+ size(['avg constitutive work ','average penalty energy'])
|
+ size(['avg constitutive work ','average penalty energy'])
|
||||||
|
|
||||||
homogState(h)%sizeState = sizeState
|
homogState(h)%sizeState = sizeState
|
||||||
homogState(h)%sizePostResults = sum(homogenization_RGC_sizePostResult(:,homogenization_typeInstance(h)))
|
homogState(h)%sizePostResults = 0
|
||||||
allocate(homogState(h)%state0 (sizeState,NofMyHomog), source=0.0_pReal)
|
allocate(homogState(h)%state0 (sizeState,NofMyHomog), source=0.0_pReal)
|
||||||
allocate(homogState(h)%subState0(sizeState,NofMyHomog), source=0.0_pReal)
|
allocate(homogState(h)%subState0(sizeState,NofMyHomog), source=0.0_pReal)
|
||||||
allocate(homogState(h)%state (sizeState,NofMyHomog), source=0.0_pReal)
|
allocate(homogState(h)%state (sizeState,NofMyHomog), source=0.0_pReal)
|
||||||
|
|
@ -235,23 +184,17 @@ subroutine homogenization_RGC_init()
|
||||||
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
end subroutine homogenization_RGC_init
|
end subroutine mech_RGC_init
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief partitions the deformation gradient onto the constituents
|
!> @brief partitions the deformation gradient onto the constituents
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
|
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
|
||||||
#ifdef DEBUG
|
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_homogenization, &
|
|
||||||
debug_levelExtensive
|
|
||||||
#endif
|
|
||||||
|
|
||||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partioned F per grain
|
real(pReal), dimension (:,:,:), intent(out) :: F !< partioned F per grain
|
||||||
|
|
||||||
real(pReal), dimension (:,:), intent(in) :: avgF !< averaged F
|
real(pReal), dimension (3,3), intent(in) :: avgF !< averaged F
|
||||||
integer, intent(in) :: &
|
integer, intent(in) :: &
|
||||||
instance, &
|
instance, &
|
||||||
of
|
of
|
||||||
|
|
@ -291,45 +234,14 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
|
|
||||||
end subroutine homogenization_RGC_partitionDeformation
|
end subroutine mech_RGC_partitionDeformation
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
|
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
|
||||||
! "happy" with result
|
! "happy" with result
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
module procedure mech_RGC_updateState
|
||||||
#ifdef DEBUG
|
|
||||||
use debug, only: &
|
|
||||||
debug_level, &
|
|
||||||
debug_homogenization,&
|
|
||||||
debug_levelExtensive
|
|
||||||
#endif
|
|
||||||
use math, only: &
|
|
||||||
math_invert2
|
|
||||||
use numerics, only: &
|
|
||||||
absTol_RGC, &
|
|
||||||
relTol_RGC, &
|
|
||||||
absMax_RGC, &
|
|
||||||
relMax_RGC, &
|
|
||||||
pPert_RGC, &
|
|
||||||
maxdRelax_RGC, &
|
|
||||||
viscPower_RGC, &
|
|
||||||
viscModus_RGC, &
|
|
||||||
refRelaxRate_RGC
|
|
||||||
|
|
||||||
real(pReal), dimension(:,:,:), intent(in) :: &
|
|
||||||
P,& !< array of P
|
|
||||||
F,& !< array of F
|
|
||||||
F0 !< array of initial F
|
|
||||||
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< array of current grain stiffness
|
|
||||||
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
|
||||||
real(pReal), intent(in) :: dt !< time increment
|
|
||||||
integer, intent(in) :: &
|
|
||||||
ip, & !< integration point number
|
|
||||||
el !< element number
|
|
||||||
|
|
||||||
logical, dimension(2) :: homogenization_RGC_updateState
|
|
||||||
|
|
||||||
integer, dimension(4) :: intFaceN,intFaceP,faceID
|
integer, dimension(4) :: intFaceN,intFaceP,faceID
|
||||||
integer, dimension(3) :: nGDim,iGr3N,iGr3P
|
integer, dimension(3) :: nGDim,iGr3N,iGr3P
|
||||||
|
|
@ -347,7 +259,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
zeroTimeStep: if(dEq0(dt)) then
|
zeroTimeStep: if(dEq0(dt)) then
|
||||||
homogenization_RGC_updateState = .true. ! pretend everything is fine and return
|
mech_RGC_updateState = .true. ! pretend everything is fine and return
|
||||||
return
|
return
|
||||||
endif zeroTimeStep
|
endif zeroTimeStep
|
||||||
|
|
||||||
|
|
@ -466,12 +378,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
homogenization_RGC_updateState = .false.
|
mech_RGC_updateState = .false.
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! If convergence reached => done and happy
|
! If convergence reached => done and happy
|
||||||
if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
|
if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
|
||||||
homogenization_RGC_updateState = .true.
|
mech_RGC_updateState = .true.
|
||||||
#ifdef DEBUG
|
#ifdef DEBUG
|
||||||
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
|
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
|
||||||
.and. prm%of_debug == of) write(6,'(1x,a55,/)')'... done and happy'
|
.and. prm%of_debug == of) write(6,'(1x,a55,/)')'... done and happy'
|
||||||
|
|
@ -513,7 +425,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! if residual blows-up => done but unhappy
|
! if residual blows-up => done but unhappy
|
||||||
elseif (residMax > relMax_RGC*stresMax .or. residMax > absMax_RGC) then ! try to restart when residual blows up exceeding maximum bound
|
elseif (residMax > relMax_RGC*stresMax .or. residMax > absMax_RGC) then ! try to restart when residual blows up exceeding maximum bound
|
||||||
homogenization_RGC_updateState = [.true.,.false.] ! with direct cut-back
|
mech_RGC_updateState = [.true.,.false.] ! with direct cut-back
|
||||||
|
|
||||||
#ifdef DEBUG
|
#ifdef DEBUG
|
||||||
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
|
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
|
||||||
|
|
@ -656,9 +568,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! ... of the numerical viscosity traction "rmatrix"
|
! ... of the numerical viscosity traction "rmatrix"
|
||||||
allocate(rmatrix(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pReal)
|
allocate(rmatrix(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pReal)
|
||||||
forall (i=1:3*nIntFaceTot) &
|
do i=1,3*nIntFaceTot
|
||||||
rmatrix(i,i) = viscModus_RGC*viscPower_RGC/(refRelaxRate_RGC*dt)* & ! tangent due to numerical viscosity traction appears
|
rmatrix(i,i) = viscModus_RGC*viscPower_RGC/(refRelaxRate_RGC*dt)* & ! tangent due to numerical viscosity traction appears
|
||||||
(abs(drelax(i))/(refRelaxRate_RGC*dt))**(viscPower_RGC - 1.0_pReal) ! only in the main diagonal term
|
(abs(drelax(i))/(refRelaxRate_RGC*dt))**(viscPower_RGC - 1.0_pReal) ! only in the main diagonal term
|
||||||
|
enddo
|
||||||
|
|
||||||
#ifdef DEBUG
|
#ifdef DEBUG
|
||||||
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0) then
|
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0) then
|
||||||
|
|
@ -710,7 +623,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
stt%relaxationVector(:,of) = relax + drelax ! Updateing the state variable for the next iteration
|
stt%relaxationVector(:,of) = relax + drelax ! Updateing the state variable for the next iteration
|
||||||
if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
|
if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
|
||||||
homogenization_RGC_updateState = [.true.,.false.]
|
mech_RGC_updateState = [.true.,.false.]
|
||||||
!$OMP CRITICAL (write2out)
|
!$OMP CRITICAL (write2out)
|
||||||
write(6,'(1x,a,1x,i3,1x,a,1x,i3,1x,a)')'RGC_updateState: ip',ip,'| el',el,'enforces cutback'
|
write(6,'(1x,a,1x,i3,1x,a,1x,i3,1x,a)')'RGC_updateState: ip',ip,'| el',el,'enforces cutback'
|
||||||
write(6,'(1x,a,1x,e15.8)')'due to large relaxation change =',maxval(abs(drelax))
|
write(6,'(1x,a,1x,e15.8)')'due to large relaxation change =',maxval(abs(drelax))
|
||||||
|
|
@ -736,10 +649,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
!> @brief calculate stress-like penalty due to deformation mismatch
|
!> @brief calculate stress-like penalty due to deformation mismatch
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine stressPenalty(rPen,nMis,avgF,fDef,ip,el,instance,of)
|
subroutine stressPenalty(rPen,nMis,avgF,fDef,ip,el,instance,of)
|
||||||
use math, only: &
|
|
||||||
math_civita
|
|
||||||
use numerics, only: &
|
|
||||||
xSmoo_RGC
|
|
||||||
|
|
||||||
real(pReal), dimension (:,:,:), intent(out) :: rPen !< stress-like penalty
|
real(pReal), dimension (:,:,:), intent(out) :: rPen !< stress-like penalty
|
||||||
real(pReal), dimension (:,:), intent(out) :: nMis !< total amount of mismatch
|
real(pReal), dimension (:,:), intent(out) :: nMis !< total amount of mismatch
|
||||||
|
|
@ -852,13 +761,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
!> @brief calculate stress-like penalty due to volume discrepancy
|
!> @brief calculate stress-like penalty due to volume discrepancy
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine volumePenalty(vPen,vDiscrep,fAvg,fDef,nGrain,instance,of)
|
subroutine volumePenalty(vPen,vDiscrep,fAvg,fDef,nGrain,instance,of)
|
||||||
use math, only: &
|
|
||||||
math_det33, &
|
|
||||||
math_inv33
|
|
||||||
use numerics, only: &
|
|
||||||
maxVolDiscr_RGC,&
|
|
||||||
volDiscrMod_RGC,&
|
|
||||||
volDiscrPow_RGC
|
|
||||||
|
|
||||||
real(pReal), dimension (:,:,:), intent(out) :: vPen ! stress-like penalty due to volume
|
real(pReal), dimension (:,:,:), intent(out) :: vPen ! stress-like penalty due to volume
|
||||||
real(pReal), intent(out) :: vDiscrep ! total volume discrepancy
|
real(pReal), intent(out) :: vDiscrep ! total volume discrepancy
|
||||||
|
|
@ -907,8 +809,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
! deformation
|
! deformation
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function surfaceCorrection(avgF,instance,of)
|
function surfaceCorrection(avgF,instance,of)
|
||||||
use math, only: &
|
|
||||||
math_invert33
|
|
||||||
|
|
||||||
real(pReal), dimension(3) :: surfaceCorrection
|
real(pReal), dimension(3) :: surfaceCorrection
|
||||||
|
|
||||||
|
|
@ -940,8 +840,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
!> @brief compute the equivalent shear and bulk moduli from the elasticity tensor
|
!> @brief compute the equivalent shear and bulk moduli from the elasticity tensor
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function equivalentModuli(grainID,ip,el)
|
function equivalentModuli(grainID,ip,el)
|
||||||
use constitutive, only: &
|
|
||||||
constitutive_homogenizedC
|
|
||||||
|
|
||||||
real(pReal), dimension(2) :: equivalentModuli
|
real(pReal), dimension(2) :: equivalentModuli
|
||||||
|
|
||||||
|
|
@ -1012,13 +910,13 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||||
|
|
||||||
end subroutine grainDeformation
|
end subroutine grainDeformation
|
||||||
|
|
||||||
end function homogenization_RGC_updateState
|
end procedure mech_RGC_updateState
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief derive average stress and stiffness from constituent quantities
|
!> @brief derive average stress and stiffness from constituent quantities
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||||
|
|
||||||
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
||||||
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
||||||
|
|
@ -1030,68 +928,19 @@ subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,
|
||||||
avgP = sum(P,3) /real(product(param(instance)%Nconstituents),pReal)
|
avgP = sum(P,3) /real(product(param(instance)%Nconstituents),pReal)
|
||||||
dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%Nconstituents),pReal)
|
dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%Nconstituents),pReal)
|
||||||
|
|
||||||
end subroutine homogenization_RGC_averageStressAndItsTangent
|
end subroutine mech_RGC_averageStressAndItsTangent
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief return array of homogenization results for post file inclusion
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
pure function homogenization_RGC_postResults(instance,of) result(postResults)
|
|
||||||
|
|
||||||
integer, intent(in) :: &
|
|
||||||
instance, &
|
|
||||||
of
|
|
||||||
|
|
||||||
integer :: &
|
|
||||||
o,c
|
|
||||||
real(pReal), dimension(sum(homogenization_RGC_sizePostResult(:,instance))) :: &
|
|
||||||
postResults
|
|
||||||
|
|
||||||
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
|
|
||||||
|
|
||||||
c = 0
|
|
||||||
|
|
||||||
outputsLoop: do o = 1,size(prm%outputID)
|
|
||||||
select case(prm%outputID(o))
|
|
||||||
|
|
||||||
case (constitutivework_ID)
|
|
||||||
postResults(c+1) = stt%work(of)
|
|
||||||
c = c + 1
|
|
||||||
case (magnitudemismatch_ID)
|
|
||||||
postResults(c+1:c+3) = dst%mismatch(1:3,of)
|
|
||||||
c = c + 3
|
|
||||||
case (penaltyenergy_ID)
|
|
||||||
postResults(c+1) = stt%penaltyEnergy(of)
|
|
||||||
c = c + 1
|
|
||||||
case (volumediscrepancy_ID)
|
|
||||||
postResults(c+1) = dst%volumeDiscrepancy(of)
|
|
||||||
c = c + 1
|
|
||||||
case (averagerelaxrate_ID)
|
|
||||||
postResults(c+1) = dst%relaxationrate_avg(of)
|
|
||||||
c = c + 1
|
|
||||||
case (maximumrelaxrate_ID)
|
|
||||||
postResults(c+1) = dst%relaxationrate_max(of)
|
|
||||||
c = c + 1
|
|
||||||
end select
|
|
||||||
|
|
||||||
enddo outputsLoop
|
|
||||||
|
|
||||||
end associate
|
|
||||||
|
|
||||||
end function homogenization_RGC_postResults
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief writes results to HDF5 output file
|
!> @brief writes results to HDF5 output file
|
||||||
! ToDo: check wheter units are correct
|
! ToDo: check wheter units are correct
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine mech_RGC_results(instance,group)
|
module subroutine mech_RGC_results(instance,group)
|
||||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||||
use results, only: &
|
|
||||||
results_writeDataset
|
|
||||||
|
|
||||||
integer, intent(in) :: instance
|
integer, intent(in) :: instance
|
||||||
character(len=*) :: group
|
character(len=*), intent(in) :: group
|
||||||
|
|
||||||
integer :: o
|
integer :: o
|
||||||
|
|
||||||
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
|
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
|
||||||
|
|
@ -1123,7 +972,7 @@ subroutine mech_RGC_results(instance,group)
|
||||||
|
|
||||||
#else
|
#else
|
||||||
integer, intent(in) :: instance
|
integer, intent(in) :: instance
|
||||||
character(len=*) :: group
|
character(len=*), intent(in) :: group
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
end subroutine mech_RGC_results
|
end subroutine mech_RGC_results
|
||||||
|
|
@ -1262,7 +1111,7 @@ integer pure function interface4to1(iFace4D, nGDim)
|
||||||
else
|
else
|
||||||
interface4to1 = iFace4D(4) + nGDim(3)*(iFace4D(2)-1) &
|
interface4to1 = iFace4D(4) + nGDim(3)*(iFace4D(2)-1) &
|
||||||
+ nGDim(3)*nGDim(1)*(iFace4D(3)-1) &
|
+ nGDim(3)*nGDim(1)*(iFace4D(3)-1) &
|
||||||
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) ! total number of interfaces normal //e1
|
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) ! total # of interfaces normal || e1
|
||||||
endif
|
endif
|
||||||
|
|
||||||
case(3)
|
case(3)
|
||||||
|
|
@ -1271,8 +1120,8 @@ integer pure function interface4to1(iFace4D, nGDim)
|
||||||
else
|
else
|
||||||
interface4to1 = iFace4D(2) + nGDim(1)*(iFace4D(3)-1) &
|
interface4to1 = iFace4D(2) + nGDim(1)*(iFace4D(3)-1) &
|
||||||
+ nGDim(1)*nGDim(2)*(iFace4D(4)-1) &
|
+ nGDim(1)*nGDim(2)*(iFace4D(4)-1) &
|
||||||
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) & ! total number of interfaces normal //e1
|
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) & ! total # of interfaces normal || e1
|
||||||
+ nGDim(1)*(nGDim(2)-1)*nGDim(3) ! total number of interfaces normal //e2
|
+ nGDim(1)*(nGDim(2)-1)*nGDim(3) ! total # of interfaces normal || e2
|
||||||
endif
|
endif
|
||||||
|
|
||||||
case default
|
case default
|
||||||
|
|
@ -1296,23 +1145,23 @@ pure function interface1to4(iFace1D, nGDim)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! compute the total number of interfaces, which ...
|
! compute the total number of interfaces, which ...
|
||||||
nIntFace = [(nGDim(1)-1)*nGDim(2)*nGDim(3), & ! ... normal //e1
|
nIntFace = [(nGDim(1)-1)*nGDim(2)*nGDim(3), & ! ... normal || e1
|
||||||
nGDim(1)*(nGDim(2)-1)*nGDim(3), & ! ... normal //e2
|
nGDim(1)*(nGDim(2)-1)*nGDim(3), & ! ... normal || e2
|
||||||
nGDim(1)*nGDim(2)*(nGDim(3)-1)] ! ... normal //e3
|
nGDim(1)*nGDim(2)*(nGDim(3)-1)] ! ... normal || e3
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! get the corresponding interface ID in 4D (normal and local position)
|
! get the corresponding interface ID in 4D (normal and local position)
|
||||||
if (iFace1D > 0 .and. iFace1D <= nIntFace(1)) then ! interface with normal //e1
|
if (iFace1D > 0 .and. iFace1D <= nIntFace(1)) then ! interface with normal || e1
|
||||||
interface1to4(1) = 1
|
interface1to4(1) = 1
|
||||||
interface1to4(3) = mod((iFace1D-1),nGDim(2))+1
|
interface1to4(3) = mod((iFace1D-1),nGDim(2))+1
|
||||||
interface1to4(4) = mod(int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)),nGDim(3))+1
|
interface1to4(4) = mod(int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)),nGDim(3))+1
|
||||||
interface1to4(2) = int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)/real(nGDim(3),pReal))+1
|
interface1to4(2) = int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)/real(nGDim(3),pReal))+1
|
||||||
elseif (iFace1D > nIntFace(1) .and. iFace1D <= (nIntFace(2) + nIntFace(1))) then ! interface with normal //e2
|
elseif (iFace1D > nIntFace(1) .and. iFace1D <= (nIntFace(2) + nIntFace(1))) then ! interface with normal || e2
|
||||||
interface1to4(1) = 2
|
interface1to4(1) = 2
|
||||||
interface1to4(4) = mod((iFace1D-nIntFace(1)-1),nGDim(3))+1
|
interface1to4(4) = mod((iFace1D-nIntFace(1)-1),nGDim(3))+1
|
||||||
interface1to4(2) = mod(int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)),nGDim(1))+1
|
interface1to4(2) = mod(int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)),nGDim(1))+1
|
||||||
interface1to4(3) = int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)/real(nGDim(1),pReal))+1
|
interface1to4(3) = int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)/real(nGDim(1),pReal))+1
|
||||||
elseif (iFace1D > nIntFace(2) + nIntFace(1) .and. iFace1D <= (nIntFace(3) + nIntFace(2) + nIntFace(1))) then ! interface with normal //e3
|
elseif (iFace1D > nIntFace(2) + nIntFace(1) .and. iFace1D <= (nIntFace(3) + nIntFace(2) + nIntFace(1))) then ! interface with normal || e3
|
||||||
interface1to4(1) = 3
|
interface1to4(1) = 3
|
||||||
interface1to4(2) = mod((iFace1D-nIntFace(2)-nIntFace(1)-1),nGDim(1))+1
|
interface1to4(2) = mod((iFace1D-nIntFace(2)-nIntFace(1)-1),nGDim(1))+1
|
||||||
interface1to4(3) = mod(int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pReal)/real(nGDim(1),pReal)),nGDim(2))+1
|
interface1to4(3) = mod(int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pReal)/real(nGDim(1),pReal)),nGDim(2))+1
|
||||||
|
|
@ -1322,4 +1171,4 @@ pure function interface1to4(iFace1D, nGDim)
|
||||||
end function interface1to4
|
end function interface1to4
|
||||||
|
|
||||||
|
|
||||||
end module homogenization_mech_RGC
|
end submodule homogenization_mech_RGC
|
||||||
|
|
|
||||||
|
|
@ -6,8 +6,6 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
submodule(homogenization) homogenization_mech_isostrain
|
submodule(homogenization) homogenization_mech_isostrain
|
||||||
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
enum, bind(c)
|
enum, bind(c)
|
||||||
enumerator :: &
|
enumerator :: &
|
||||||
parallel_ID, &
|
parallel_ID, &
|
||||||
|
|
@ -30,14 +28,6 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module subroutine mech_isostrain_init
|
module subroutine mech_isostrain_init
|
||||||
use debug, only: &
|
|
||||||
debug_HOMOGENIZATION, &
|
|
||||||
debug_level, &
|
|
||||||
debug_levelBasic
|
|
||||||
use IO, only: &
|
|
||||||
IO_error
|
|
||||||
use config, only: &
|
|
||||||
config_homogenization
|
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
Ninstance, &
|
Ninstance, &
|
||||||
|
|
|
||||||
|
|
@ -6,20 +6,12 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
submodule(homogenization) homogenization_mech_none
|
submodule(homogenization) homogenization_mech_none
|
||||||
|
|
||||||
implicit none
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module subroutine mech_none_init
|
module subroutine mech_none_init
|
||||||
use debug, only: &
|
|
||||||
debug_HOMOGENIZATION, &
|
|
||||||
debug_level, &
|
|
||||||
debug_levelBasic
|
|
||||||
use config, only: &
|
|
||||||
config_homogenization
|
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
Ninstance, &
|
Ninstance, &
|
||||||
|
|
|
||||||
|
|
@ -1025,8 +1025,8 @@ subroutine plastic_dislotwin_results(instance,group)
|
||||||
case (rho_dip_ID)
|
case (rho_dip_ID)
|
||||||
call results_writeDataset(group,stt%rho_dip,'rho_dip',&
|
call results_writeDataset(group,stt%rho_dip,'rho_dip',&
|
||||||
'dislocation dipole density''1/m²')
|
'dislocation dipole density''1/m²')
|
||||||
case (dot_gamma_sl_ID)
|
case (gamma_sl_ID)
|
||||||
call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',&
|
call results_writeDataset(group,stt%gamma_sl,'gamma_sl',&
|
||||||
'plastic shear','1')
|
'plastic shear','1')
|
||||||
case (Lambda_sl_ID)
|
case (Lambda_sl_ID)
|
||||||
call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
|
call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
|
||||||
|
|
|
||||||
|
|
@ -301,16 +301,24 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
|
||||||
|
|
||||||
character(len=*), intent(in) :: label,group,description
|
character(len=*), intent(in) :: label,group,description
|
||||||
character(len=*), intent(in), optional :: SIunit
|
character(len=*), intent(in), optional :: SIunit
|
||||||
real(pReal), intent(inout), dimension(:,:,:) :: dataset
|
real(pReal), intent(in), dimension(:,:,:) :: dataset
|
||||||
|
|
||||||
|
integer :: i
|
||||||
integer(HID_T) :: groupHandle
|
integer(HID_T) :: groupHandle
|
||||||
|
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
|
||||||
|
|
||||||
|
|
||||||
|
allocate(dataset_transposed,mold=dataset)
|
||||||
|
do i=1,size(dataset,3)
|
||||||
|
dataset_transposed(1:3,1:3,i) = transpose(dataset(1:3,1:3,i))
|
||||||
|
enddo
|
||||||
|
|
||||||
groupHandle = results_openGroup(group)
|
groupHandle = results_openGroup(group)
|
||||||
|
|
||||||
#ifdef PETSc
|
#ifdef PETSc
|
||||||
call HDF5_write(groupHandle,dataset,label,.true.)
|
call HDF5_write(groupHandle,dataset_transposed,label,.true.)
|
||||||
#else
|
#else
|
||||||
call HDF5_write(groupHandle,dataset,label,.false.)
|
call HDF5_write(groupHandle,dataset_transposed,label,.false.)
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
if (HDF5_objectExists(groupHandle,label)) &
|
if (HDF5_objectExists(groupHandle,label)) &
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue