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
commit 6f9e521cdb
3 changed files with 51 additions and 18 deletions

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@ -14,7 +14,6 @@ from collections.abc import Iterable
import h5py import h5py
import numpy as np import numpy as np
import numpy.ma as ma import numpy.ma as ma
from numpy.lib import recfunctions as rfn
import damask import damask
from . import VTK from . import VTK
@ -115,6 +114,8 @@ class Result:
r=re.compile('increment_[0-9]+') r=re.compile('increment_[0-9]+')
self.increments = sorted([i for i in f.keys() if r.match(i)],key=util.natural_sort) 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] 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']) self.N_materialpoints, self.N_constituents = np.shape(f['cell_to/phase'])
@ -733,8 +734,8 @@ class Result:
---------- ----------
T_sym : str T_sym : str
Name of symmetric tensor dataset. Name of symmetric tensor dataset.
eigenvalue : str, optional eigenvalue : {'max', 'mid', 'min'}
Eigenvalue. Select from 'max', 'mid', 'min'. Defaults to 'max'. Eigenvalue. Defaults to 'max'.
""" """
self._add_generic_pointwise(self._add_eigenvalue,{'T_sym':T_sym},{'eigenvalue':eigenvalue}) self._add_generic_pointwise(self._add_eigenvalue,{'T_sym':T_sym},{'eigenvalue':eigenvalue})
@ -766,9 +767,9 @@ class Result:
---------- ----------
T_sym : str T_sym : str
Name of symmetric tensor dataset. Name of symmetric tensor dataset.
eigenvalue : str, optional eigenvalue : {'max', 'mid', 'min'}
Eigenvalue to which the eigenvector corresponds. 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}) self._add_generic_pointwise(self._add_eigenvector,{'T_sym':T_sym},{'eigenvalue':eigenvalue})
@ -777,14 +778,8 @@ class Result:
@staticmethod @staticmethod
def _add_IPF_color(l,q): def _add_IPF_color(l,q):
m = util.scale_to_coprime(np.array(l)) m = util.scale_to_coprime(np.array(l))
try: lattice = q['meta']['lattice']
lattice = {'fcc':'cF','bcc':'cI','hex':'hP'}[q['meta']['lattice']] o = Orientation(rotation = q['data'],lattice=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)
return { return {
'data': np.uint8(o.IPF_color(l)*255), 'data': np.uint8(o.IPF_color(l)*255),
@ -907,7 +902,7 @@ class Result:
t = 'tensor' t = 'tensor'
if o is None: o = 'fro' if o is None: o = 'fro'
else: else:
raise ValueError raise ValueError(f'invalid norm order {ord}')
return { return {
'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True), 'data': np.linalg.norm(x['data'],ord=o,axis=axis,keepdims=True),
@ -1552,6 +1547,9 @@ class Result:
v = self.geometry0 v = self.geometry0
elif mode.lower()=='point': elif mode.lower()=='point':
v = VTK.from_poly_data(self.coordinates0_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')) v.set_comments(util.execution_stamp('Result','save_VTK'))
N_digits = int(np.floor(np.log10(max(1,int(self.increments[-1][10:])))))+1 N_digits = int(np.floor(np.log10(max(1,int(self.increments[-1][10:])))))+1

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

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@ -41,6 +41,9 @@ module discretization_mesh
mesh_ipVolume, & !< volume associated with IP (initially!) mesh_ipVolume, & !< volume associated with IP (initially!)
mesh_node0 !< node x,y,z coordinates (initially!) mesh_node0 !< node x,y,z coordinates (initially!)
real(pReal), pointer, dimension(:) :: &
mesh_node0_temp
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!) mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
@ -82,7 +85,7 @@ subroutine discretization_mesh_init(restart)
class(tNode), pointer :: & class(tNode), pointer :: &
num_mesh num_mesh
integer :: integrationOrder !< order of quadrature rule required integer :: integrationOrder !< order of quadrature rule required
type(tvec) :: coords_node0
print'(/,a)', ' <<<+- discretization_mesh init -+>>>' print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
@ -140,6 +143,13 @@ subroutine discretization_mesh_init(restart)
call DMGetStratumSize(geomMesh,'depth',0,mesh_Nnodes,ierr) call DMGetStratumSize(geomMesh,'depth',0,mesh_Nnodes,ierr)
CHKERRQ(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) mesh_maxNips = FEM_nQuadrature(dimPlex,integrationOrder)
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_quadrature_points(dimPlex,integrationOrder)%p) 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') 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) allocate(mesh_node0(3,mesh_Nnodes),source=0.0_pReal)
mesh_node0 = reshape(mesh_node0_temp,[dimPlex,mesh_Nnodes])
call discretization_init(materialAt,& call discretization_init(materialAt,&
reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), & reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
mesh_node0) mesh_node0)
call results_openJobFile call writeGeometry(reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]),mesh_node0)
call results_closeGroup(results_addGroup('geometry'))
call results_closeJobFile
end subroutine discretization_mesh_init end subroutine discretization_mesh_init
@ -231,4 +240,26 @@ subroutine mesh_FEM_build_ipCoordinates(dimPlex,qPoints)
end subroutine mesh_FEM_build_ipCoordinates 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 end module discretization_mesh