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DAMASK_EICMD
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Merge branch 'HDFgeometryupdate' into 'development' 

HDF geometry update

See merge request damask/DAMASK!395
This commit is contained in:
Martin Diehl 2021-06-01 08:01:53 +00:00
parent 8f15243a24 bd10ee033e
commit 6f9e521cdb
3 changed files with 51 additions and 18 deletions
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26
python/damask/_result.py
View File

@ -14,7 +14,6 @@ from collections.abc import Iterable
import h5py
import numpy as np
import numpy.ma as ma
from numpy.lib import recfunctions as rfn
import damask
from . import VTK
@ -115,6 +114,8 @@ class Result:
r=re.compile('increment_[0-9]+')
self.increments = sorted([i for i in f.keys() if r.match(i)],key=util.natural_sort)
self.times = [round(f[i].attrs['t/s'],12) for i in self.increments]
if len(self.increments) == 0:
raise ValueError('incomplete DADF5 file')
self.N_materialpoints, self.N_constituents = np.shape(f['cell_to/phase'])
@ -733,8 +734,8 @@ class Result:
----------
T_sym : str
Name of symmetric tensor dataset.
eigenvalue : str, optional
Eigenvalue. Select from 'max', 'mid', 'min'. Defaults to 'max'.
eigenvalue : {'max', 'mid', 'min'}
Eigenvalue. Defaults to 'max'.
"""
self._add_generic_pointwise(self._add_eigenvalue,{'T_sym':T_sym},{'eigenvalue':eigenvalue})
@ -766,9 +767,9 @@ class Result:
----------
T_sym : str
Name of symmetric tensor dataset.
eigenvalue : str, optional
eigenvalue : {'max', 'mid', 'min'}
Eigenvalue to which the eigenvector corresponds.
Select from 'max', 'mid', 'min'. Defaults to 'max'.
Defaults to 'max'.
"""
self._add_generic_pointwise(self._add_eigenvector,{'T_sym':T_sym},{'eigenvalue':eigenvalue})
@ -777,14 +778,8 @@ class Result:
@staticmethod
def _add_IPF_color(l,q):
m = util.scale_to_coprime(np.array(l))
try:
lattice = {'fcc':'cF','bcc':'cI','hex':'hP'}[q['meta']['lattice']]
except KeyError:
lattice = q['meta']['lattice']
try:
o = Orientation(rotation = (rfn.structured_to_unstructured(q['data'])),lattice=lattice)
except ValueError:
o = Orientation(rotation = q['data'],lattice=lattice)
lattice = q['meta']['lattice']
o = Orientation(rotation = q['data'],lattice=lattice)
return {
'data': np.uint8(o.IPF_color(l)*255),
@ -907,7 +902,7 @@ class Result:
t = 'tensor'
if o is None: o = 'fro'
else:
raise ValueError
raise ValueError(f'invalid norm order {ord}')
return {
'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
@ -1552,6 +1547,9 @@ class Result:
v = self.geometry0
elif mode.lower()=='point':
v = VTK.from_poly_data(self.coordinates0_point)
else:
raise ValueError(f'invalid mode {mode}')
v.set_comments(util.execution_stamp('Result','save_VTK'))
N_digits = int(np.floor(np.log10(max(1,int(self.increments[-1][10:])))))+1

4
src/mesh/DAMASK_mesh.f90
View File

@ -252,6 +252,10 @@ program DAMASK_mesh
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
endif
print'(/,a)', ' ... writing initial configuration to file ........................'
flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal)
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc

39
src/mesh/discretization_mesh.f90
View File

@ -41,6 +41,9 @@ module discretization_mesh
mesh_ipVolume, & !< volume associated with IP (initially!)
mesh_node0 !< node x,y,z coordinates (initially!)
real(pReal), pointer, dimension(:) :: &
mesh_node0_temp
real(pReal), dimension(:,:,:), allocatable :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
@ -82,7 +85,7 @@ subroutine discretization_mesh_init(restart)
class(tNode), pointer :: &
num_mesh
integer :: integrationOrder !< order of quadrature rule required
type(tvec) :: coords_node0
print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
@ -140,6 +143,13 @@ subroutine discretization_mesh_init(restart)
call DMGetStratumSize(geomMesh,'depth',0,mesh_Nnodes,ierr)
CHKERRQ(ierr)
! Get initial nodal coordinates
call DMGetCoordinates(geomMesh,coords_node0,ierr)
CHKERRQ(ierr)
allocate(mesh_node0_temp(dimPlex*mesh_Nnodes))
call VecGetArrayF90(coords_node0, mesh_node0_temp,ierr)
CHKERRQ(ierr)
mesh_maxNips = FEM_nQuadrature(dimPlex,integrationOrder)
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_quadrature_points(dimPlex,integrationOrder)%p)
@ -156,14 +166,13 @@ subroutine discretization_mesh_init(restart)
if (debug_ip < 1 .or. debug_ip > mesh_maxNips) call IO_error(602,ext_msg='IP')
allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
mesh_node0 = reshape(mesh_node0_temp,[dimPlex,mesh_Nnodes])
call discretization_init(materialAt,&
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
mesh_node0)
call results_openJobFile
call results_closeGroup(results_addGroup('geometry'))
call results_closeJobFile
call writeGeometry(reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]),mesh_node0)
end subroutine discretization_mesh_init
@ -231,4 +240,26 @@ subroutine mesh_FEM_build_ipCoordinates(dimPlex,qPoints)
end subroutine mesh_FEM_build_ipCoordinates
!--------------------------------------------------------------------------------------------------
!> @brief Write all information needed for the DADF5 geometry
!--------------------------------------------------------------------------------------------------
subroutine writeGeometry(coordinates_points,coordinates_nodes)
real(pReal), dimension(:,:), intent(in) :: &
coordinates_nodes, &
coordinates_points
call results_openJobFile
call results_closeGroup(results_addGroup('geometry'))
call results_writeDataset('geometry',coordinates_nodes,'x_n', &
'initial coordinates of the nodes','m')
call results_writeDataset('geometry',coordinates_points,'x_p', &
'initial coordinates of the materialpoints (cell centers)','m')
call results_closeJobFile
end subroutine writeGeometry
end module discretization_mesh