Merge branch 'development' into pretty-print-init
This commit is contained in:
Philip Eisenlohr
commit
4ebf14317a
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit f730bcb8ddd7224011e70c57d0a5c03068532d2d
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Subproject commit ee4b1a03b443a2c497a13c45c9498313442d731e
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@ -8,7 +8,7 @@ from pathlib import Path
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import damask
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def copy_and_patch(patch,orig,msc_root,editor):
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def copy_and_patch(patch,orig,marc_root,editor):
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try:
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shutil.copyfile(orig,orig.parent/patch.stem)
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except shutil.SameFileError:
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@ -17,31 +17,31 @@ def copy_and_patch(patch,orig,msc_root,editor):
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with open(orig.parent/patch.stem) as f_in:
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content = f_in.read()
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with open(orig.parent/patch.stem,'w') as f_out:
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f_out.write(content.replace('%INSTALLDIR%',msc_root).replace('%EDITOR%',editor))
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f_out.write(content.replace('%INSTALLDIR%',marc_root).replace('%EDITOR%',editor))
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parser = argparse.ArgumentParser(
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description='Apply DAMASK modification to MSC.Marc/Mentat',
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description='Apply DAMASK modification to MSC Marc/Mentat',
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prog = Path(__file__).name,
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formatter_class=argparse.ArgumentDefaultsHelpFormatter)
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parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
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help='Name of the editor for MSC.Mentat (executable)')
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parser.add_argument('--msc-root', dest='msc_root', metavar='string',
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default=damask.solver._marc._msc_root,
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help='MSC.Marc/Mentat root directory')
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parser.add_argument('--msc-version', dest='msc_version', type=float, metavar='float',
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default=damask.solver._marc._msc_version,
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help='MSC.Marc/Mentat version')
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help='Name of the editor for Marc Mentat (executable)')
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parser.add_argument('--marc-root', dest='marc_root', metavar='string',
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default=damask.solver._marc._marc_root,
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help='Marc root directory')
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parser.add_argument('--marc-version', dest='marc_version', type=float, metavar='float',
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default=damask.solver._marc._marc_version,
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help='Marc version')
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parser.add_argument('--damask-root', dest='damask_root', metavar = 'string',
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default=damask.solver._marc._damask_root,
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help='DAMASK root directory')
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args = parser.parse_args()
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msc_root = Path(args.msc_root).expanduser()
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marc_root = Path(args.marc_root).expanduser()
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damask_root = Path(args.damask_root).expanduser()
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msc_version = int(args.msc_version) if str(args.msc_version).split('.')[1] == '0' else \
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args.msc_version
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marc_version = int(args.marc_version) if str(args.marc_version).split('.')[1] == '0' else \
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args.marc_version
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matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
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['run_marc','run_damask_*mp'],
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@ -54,15 +54,15 @@ matches = {'Marc_tools': [['comp_user','comp_damask_*mp'],
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print('patching files...\n')
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for directory in glob.glob(str(damask_root/f'install/MarcMentat/{msc_version}/*')):
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for directory in glob.glob(str(damask_root/f'install/MarcMentat/{marc_version}/*')):
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for orig, mods in matches[Path(directory).name]:
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product,subfolder = (msc_root/Path(directory)).name.split('_')
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orig = msc_root/f'{product.lower()}{msc_version}/{subfolder}/{orig}'
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product,subfolder = (marc_root/Path(directory)).name.split('_')
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orig = marc_root/f'{product.lower()}{marc_version}/{subfolder}/{orig}'
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for patch in glob.glob(f'{directory}/{mods}.patch'):
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copy_and_patch(Path(patch),orig,msc_root,args.editor)
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copy_and_patch(Path(patch),orig,marc_root,args.editor)
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print('compiling Mentat menu binaries...')
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executable = msc_root/f'mentat{msc_version}/bin/mentat'
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menu_file = msc_root/f'mentat{msc_version}/menus/linux64/main.msb'
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executable = marc_root/f'mentat{marc_version}/bin/mentat'
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menu_file = marc_root/f'mentat{marc_version}/menus/linux64/main.msb'
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os.system(f'xvfb-run -a {executable} -compile {menu_file}')
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@ -1 +1 @@
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v3.0.0-alpha5-90-gbb6655045
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v3.0.0-alpha5-105-g020759996
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@ -440,9 +440,10 @@ class ConfigMaterial(Config):
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"""
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N,n,shaped = 1,1,{}
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map_dim = {'O':-1,'F_i':-2}
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for k,v in kwargs.items():
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shaped[k] = np.array(v)
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s = shaped[k].shape[:-1] if k=='O' else shaped[k].shape
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s = shaped[k].shape[:map_dim.get(k,None)]
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N = max(N,s[0]) if len(s)>0 else N
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n = max(n,s[1]) if len(s)>1 else n
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@ -451,11 +452,12 @@ class ConfigMaterial(Config):
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if 'v' not in kwargs:
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shaped['v'] = np.broadcast_to(1/n,(N,n))
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map_shape = {'O':(N,n,4),'F_i':(N,n,3,3)}
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for k,v in shaped.items():
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target = (N,n,4) if k=='O' else (N,n)
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target = map_shape.get(k,(N,n))
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obj = np.broadcast_to(v.reshape(util.shapeshifter(v.shape,target,mode='right')),target)
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for i in range(N):
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if k in ['phase','O','v']:
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if k in ['phase','O','v','F_i']:
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for j in range(n):
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mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
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else:
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@ -3,14 +3,14 @@ import shlex
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import re
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from pathlib import Path
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_msc_version = 2021.2
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_msc_root = '/opt/msc'
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_marc_version = 2021.2
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_marc_root = '/opt/msc'
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_damask_root = str(Path(__file__).parents[3])
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class Marc:
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"""Wrapper to run DAMASK with MSC.Marc."""
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"""Wrapper to run DAMASK with MSC Marc."""
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def __init__(self,msc_version=_msc_version,msc_root=_msc_root,damask_root=_damask_root):
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def __init__(self,marc_version=_marc_version,marc_root=_marc_root,damask_root=_damask_root):
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"""
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Create a Marc solver object.
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@ -20,14 +20,14 @@ class Marc:
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Marc version
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"""
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self.msc_version = msc_version
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self.msc_root = Path(msc_root)
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self.marc_version = marc_version
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self.marc_root = Path(marc_root)
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self.damask_root = Path(damask_root)
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@property
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def library_path(self):
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path_lib = self.msc_root/f'mentat{self.msc_version}/shlib/linux64'
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path_lib = self.marc_root/f'mentat{self.marc_version}/shlib/linux64'
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if not path_lib.is_dir():
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raise FileNotFoundError(f'library path "{path_lib}" not found')
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@ -37,7 +37,7 @@ class Marc:
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@property
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def tools_path(self):
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path_tools = self.msc_root/f'marc{self.msc_version}/tools'
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path_tools = self.marc_root/f'marc{self.marc_version}/tools'
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if not path_tools.is_dir():
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raise FileNotFoundError(f'tools path "{path_tools}" not found')
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@ -99,12 +99,15 @@ class TestConfigMaterial:
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@pytest.mark.parametrize('N,n,kw',[
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(1,1,{'phase':'Gold',
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'O':[1,0,0,0],
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'F_i':np.eye(3),
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'homogenization':'SX'}),
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(3,1,{'phase':'Gold',
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'O':Rotation.from_random(3),
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'F_i':np.broadcast_to(np.eye(3),(3,3,3)),
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'homogenization':'SX'}),
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(2,3,{'phase':np.broadcast_to(['a','b','c'],(2,3)),
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'O':Rotation.from_random((2,3)),
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'F_i':np.broadcast_to(np.eye(3),(2,3,3,3)),
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'homogenization':['SX','PX']}),
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])
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def test_material_add(self,kw,N,n):
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@ -26,6 +26,7 @@ module material
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type(tRotationContainer), dimension(:), allocatable :: material_O_0
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type(tTensorContainer), dimension(:), allocatable :: material_F_i_0
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integer, dimension(:), allocatable, public, protected :: &
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homogenization_Nconstituents !< number of grains in each homogenization
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@ -48,6 +49,7 @@ module material
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public :: &
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tTensorContainer, &
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tRotationContainer, &
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material_F_i_0, &
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material_O_0, &
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material_init
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@ -159,16 +161,19 @@ subroutine parse()
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end do
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allocate(material_O_0(materials%length))
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allocate(material_F_i_0(materials%length))
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do ma = 1, materials%length
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material => materials%get(ma)
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constituents => material%get('constituents')
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allocate(material_O_0(ma)%data(constituents%length))
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allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length))
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do co = 1, constituents%length
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constituent => constituents%get(co)
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call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
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end do
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end do
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material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3])
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enddo
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enddo
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end subroutine parse
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@ -205,6 +205,9 @@ module subroutine mechanical_init(phases)
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phases
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integer :: &
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ce, &
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co, &
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ma, &
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ph, &
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en, &
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Nmembers
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@ -261,15 +264,21 @@ module subroutine mechanical_init(phases)
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#endif
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enddo
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do ce = 1, size(material_phaseID,2)
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ma = discretization_materialAt((ce-1)/discretization_nIPs+1)
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do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
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ph = material_phaseID(co,ce)
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phase_mechanical_Fi0(ph)%data(1:3,1:3,material_phaseEntry(co,ce)) = material_F_i_0(ma)%data(1:3,1:3,co)
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enddo
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enddo
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|
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do ph = 1, phases%length
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do en = 1, count(material_phaseID == ph)
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|
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_O_0(ph)%data(en)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) &
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/ math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,en))**(1.0_pReal/3.0_pReal)
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phase_mechanical_Fi0(ph)%data(1:3,1:3,en) = math_I3
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phase_mechanical_F0(ph)%data(1:3,1:3,en) = math_I3
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phase_mechanical_F0(ph)%data(1:3,1:3,en) = math_I3
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phase_mechanical_Fe(ph)%data(1:3,1:3,en) = math_inv33(matmul(phase_mechanical_Fi0(ph)%data(1:3,1:3,en), &
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en))) ! assuming that euler angles are given in internal strain free configuration
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enddo
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|
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@ -262,40 +262,43 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
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i, j
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|
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|
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Mp = matmul(matmul(transpose(Fi),Fi),S)
|
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if (phase_plasticity(ph) == PLASTICITY_NONE_ID) then
|
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Lp = 0.0_pReal
|
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dLp_dFi = 0.0_pReal
|
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dLp_dS = 0.0_pReal
|
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else
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|
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Mp = matmul(matmul(transpose(Fi),Fi),S)
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|
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plasticType: select case (phase_plasticity(ph))
|
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plasticType: select case (phase_plasticity(ph))
|
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|
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case (PLASTICITY_NONE_ID) plasticType
|
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Lp = 0.0_pReal
|
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dLp_dMp = 0.0_pReal
|
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case (PLASTICITY_ISOTROPIC_ID) plasticType
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call isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
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|
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case (PLASTICITY_ISOTROPIC_ID) plasticType
|
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call isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
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case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
|
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call phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
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|
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case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
|
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call phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
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case (PLASTICITY_KINEHARDENING_ID) plasticType
|
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call kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
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|
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case (PLASTICITY_KINEHARDENING_ID) plasticType
|
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call kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,en)
|
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case (PLASTICITY_NONLOCAL_ID) plasticType
|
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call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
|
||||
|
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case (PLASTICITY_NONLOCAL_ID) plasticType
|
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call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
|
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case (PLASTICITY_DISLOTWIN_ID) plasticType
|
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call dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticType
|
||||
call dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
|
||||
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
|
||||
call dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
|
||||
|
||||
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
|
||||
call dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,en),ph,en)
|
||||
end select plasticType
|
||||
|
||||
end select plasticType
|
||||
do i=1,3; do j=1,3
|
||||
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
|
||||
matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S)
|
||||
dLp_dS(i,j,1:3,1:3) = matmul(matmul(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
|
||||
end do; end do
|
||||
|
||||
do i=1,3; do j=1,3
|
||||
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
|
||||
matmul(matmul(Fi,dLp_dMp(i,j,1:3,1:3)),S)
|
||||
dLp_dS(i,j,1:3,1:3) = matmul(matmul(transpose(Fi),Fi),dLp_dMp(i,j,1:3,1:3)) ! ToDo: @PS: why not: dLp_dMp:(FiT Fi)
|
||||
end do; end do
|
||||
end if
|
||||
|
||||
end subroutine plastic_LpAndItsTangents
|
||||
|
||||
|
|
@ -318,32 +321,34 @@ module function plastic_dotState(subdt,co,ip,el,ph,en) result(broken)
|
|||
logical :: broken
|
||||
|
||||
|
||||
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
|
||||
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),phase_mechanical_S(ph)%data(1:3,1:3,en))
|
||||
if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) then
|
||||
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
|
||||
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),phase_mechanical_S(ph)%data(1:3,1:3,en))
|
||||
|
||||
plasticType: select case (phase_plasticity(ph))
|
||||
plasticType: select case (phase_plasticity(ph))
|
||||
|
||||
case (PLASTICITY_ISOTROPIC_ID) plasticType
|
||||
call isotropic_dotState(Mp,ph,en)
|
||||
case (PLASTICITY_ISOTROPIC_ID) plasticType
|
||||
call isotropic_dotState(Mp,ph,en)
|
||||
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
|
||||
call phenopowerlaw_dotState(Mp,ph,en)
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
|
||||
call phenopowerlaw_dotState(Mp,ph,en)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticType
|
||||
call plastic_kinehardening_dotState(Mp,ph,en)
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticType
|
||||
call plastic_kinehardening_dotState(Mp,ph,en)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticType
|
||||
call dislotwin_dotState(Mp,thermal_T(ph,en),ph,en)
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticType
|
||||
call dislotwin_dotState(Mp,thermal_T(ph,en),ph,en)
|
||||
|
||||
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
|
||||
call dislotungsten_dotState(Mp,thermal_T(ph,en),ph,en)
|
||||
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
|
||||
call dislotungsten_dotState(Mp,thermal_T(ph,en),ph,en)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticType
|
||||
call nonlocal_dotState(Mp,thermal_T(ph,en),subdt,ph,en,ip,el)
|
||||
end select plasticType
|
||||
end if
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticType
|
||||
call nonlocal_dotState(Mp,thermal_T(ph,en),subdt,ph,en,ip,el)
|
||||
end select plasticType
|
||||
broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,en)))
|
||||
|
||||
|
||||
end function plastic_dotState
|
||||
|
||||
|
||||
|
|
@ -390,8 +395,7 @@ module function plastic_deltaState(ph, en) result(broken)
|
|||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
logical :: &
|
||||
broken
|
||||
logical :: broken
|
||||
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Mp
|
||||
|
|
@ -399,35 +403,34 @@ module function plastic_deltaState(ph, en) result(broken)
|
|||
myOffset, &
|
||||
mySize
|
||||
|
||||
broken = .false.
|
||||
|
||||
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
|
||||
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),phase_mechanical_S(ph)%data(1:3,1:3,en))
|
||||
select case (phase_plasticity(ph))
|
||||
case (PLASTICITY_NONLOCAL_ID,PLASTICITY_KINEHARDENING_ID)
|
||||
|
||||
plasticType: select case (phase_plasticity(ph))
|
||||
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
|
||||
phase_mechanical_Fi(ph)%data(1:3,1:3,en)),&
|
||||
phase_mechanical_S(ph)%data(1:3,1:3,en))
|
||||
|
||||
plasticType: select case (phase_plasticity(ph))
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticType
|
||||
call plastic_kinehardening_deltaState(Mp,ph,en)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticType
|
||||
call plastic_nonlocal_deltaState(Mp,ph,en)
|
||||
|
||||
end select plasticType
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticType
|
||||
call plastic_kinehardening_deltaState(Mp,ph,en)
|
||||
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en)))
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticType
|
||||
call plastic_nonlocal_deltaState(Mp,ph,en)
|
||||
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,en)))
|
||||
|
||||
case default
|
||||
broken = .false.
|
||||
|
||||
end select plasticType
|
||||
|
||||
if (.not. broken) then
|
||||
select case(phase_plasticity(ph))
|
||||
case (PLASTICITY_NONLOCAL_ID,PLASTICITY_KINEHARDENING_ID)
|
||||
|
||||
if (.not. broken) then
|
||||
myOffset = plasticState(ph)%offsetDeltaState
|
||||
mySize = plasticState(ph)%sizeDeltaState
|
||||
plasticState(ph)%state(myOffset + 1:myOffset + mySize,en) = &
|
||||
plasticState(ph)%state(myOffset + 1:myOffset + mySize,en) + plasticState(ph)%deltaState(1:mySize,en)
|
||||
end select
|
||||
end if
|
||||
end if
|
||||
|
||||
end select
|
||||
|
||||
end function plastic_deltaState
|
||||
|
||||
|
|
@ -435,7 +438,7 @@ end function plastic_deltaState
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief checks if a plastic module is active or not
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function plastic_active(plastic_label) result(active_plastic)
|
||||
function plastic_active(plastic_label) result(active_plastic)
|
||||
|
||||
character(len=*), intent(in) :: plastic_label !< type of plasticity model
|
||||
logical, dimension(:), allocatable :: active_plastic
|
||||
|
|
@ -453,8 +456,8 @@ function plastic_active(plastic_label) result(active_plastic)
|
|||
phase => phases%get(ph)
|
||||
mech => phase%get('mechanical')
|
||||
pl => mech%get('plastic',defaultVal = emptyDict)
|
||||
if (pl%get_asString('type',defaultVal='none') == plastic_label) active_plastic(ph) = .true.
|
||||
end do
|
||||
active_plastic(ph) = pl%get_asString('type',defaultVal='none') == plastic_label
|
||||
enddo
|
||||
|
||||
end function plastic_active
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue