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DAMASK_EICMD
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Merge commit 'v2.0.3-2793-g6c260945'

This commit is contained in:
Test User 2020-07-03 03:10:54 +02:00
parent d2d7526779 6c260945db
commit b0ced02e15
16 changed files with 154 additions and 118 deletions
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16
python/damask/_result.py
View File

@ -1,4 +1,4 @@
import multiprocessing
import multiprocessing as mp
import re
import inspect
import glob
@ -413,17 +413,18 @@ class Result:
for i in self.iterate('increments'):
message += f'\n{i} ({self.times[self.increments.index(i)]}s)\n'
for o,p in zip(['constituents','materialpoints'],['con_physics','mat_physics']):
message += f' {o[:-1]}\n'
for oo in self.iterate(o):
message += f' {oo}\n'
message += f' {oo}\n'
for pp in self.iterate(p):
message += f' {pp}\n'
message += f' {pp}\n'
group = '/'.join([i,o[:-1],oo,pp]) # o[:-1]: plural/singular issue
for d in f[group].keys():
try:
dataset = f['/'.join([group,d])]
unit = f" / {dataset.attrs['Unit'].decode()}" if 'Unit' in dataset.attrs else ''
description = dataset.attrs['Description'].decode()
message += f' {d}{unit}: {description}\n'
message += f' {d}{unit}: {description}\n'
except KeyError:
pass
return message
@ -703,7 +704,6 @@ class Result:
label,p = 'intermediate',1
elif eigenvalue == 'min':
label,p = 'minimum',0
print('p',eigenvalue)
return {
'data': mechanics.eigenvectors(T_sym['data'])[:,p],
'label': f"v_{eigenvalue}({T_sym['label']})",
@ -1066,8 +1066,8 @@ class Result:
"""
num_threads = Environment().options['DAMASK_NUM_THREADS']
pool = multiprocessing.Pool(int(num_threads) if num_threads is not None else None)
lock = multiprocessing.Manager().Lock()
pool = mp.Pool(int(num_threads) if num_threads is not None else None)
lock = mp.Manager().Lock()
groups = self.groups_with_datasets(datasets.values())
default_arg = partial(self._job,func=func,datasets=datasets,args=args,lock=lock)
@ -1222,7 +1222,7 @@ class Result:
elif mode.lower()=='point':
v = VTK.from_polyData(self.cell_coordinates())
N_digits = int(np.floor(np.log10(int(self.increments[-1][3:]))))+1
N_digits = int(np.floor(np.log10(max(1,int(self.increments[-1][3:])))))+1
for inc in util.show_progress(self.iterate('increments'),len(self.selection['increments'])):

2
python/damask/_rotation.py
View File

@ -155,7 +155,7 @@ class Rotation:
def broadcast_to(self,shape):
if isinstance(shape,int): shape = (shape,)
if isinstance(shape,(int,np.integer)): shape = (shape,)
if self.shape == ():
q = np.broadcast_to(self.quaternion,shape+(4,))
else:

26
python/damask/_vtk.py
View File

@ -1,3 +1,4 @@
import multiprocessing as mp
from pathlib import Path
import pandas as pd
@ -159,8 +160,11 @@ class VTK:
return VTK(geom)
def write(self,fname):
@staticmethod
def _write(writer):
"""Wrapper for parallel writing."""
writer.Write()
def write(self,fname,parallel=True):
"""
Write to file.
@ -168,6 +172,8 @@ class VTK:
----------
fname : str or pathlib.Path
Filename for writing.
parallel : boolean, optional
Write data in parallel background process. Defaults to True.
"""
if isinstance(self.geom,vtk.vtkRectilinearGrid):
@ -185,8 +191,11 @@ class VTK:
writer.SetCompressorTypeToZLib()
writer.SetDataModeToBinary()
writer.SetInputData(self.geom)
writer.Write()
if parallel:
mp_writer = mp.Process(target=self._write,args=(writer,))
mp_writer.start()
else:
writer.Write()
# Check https://blog.kitware.com/ghost-and-blanking-visibility-changes/ for missing data
@ -197,14 +206,21 @@ class VTK:
N_cells = self.geom.GetNumberOfCells()
if isinstance(data,np.ndarray):
d = np_to_vtk(num_array=data.reshape(data.shape[0],-1),deep=True)
if label is None:
raise ValueError('No label defined for numpy.ndarray')
if data.dtype in [np.float64, np.float128]: # avoid large files
d = np_to_vtk(num_array=data.astype(np.float32).reshape(data.shape[0],-1),deep=True)
else:
d = np_to_vtk(num_array=data.reshape(data.shape[0],-1),deep=True)
d.SetName(label)
if data.shape[0] == N_cells:
self.geom.GetCellData().AddArray(d)
elif data.shape[0] == N_points:
self.geom.GetPointData().AddArray(d)
else:
raise ValueError(f'Invalid shape {data.shape[0]}')
elif isinstance(data,pd.DataFrame):
raise NotImplementedError('pd.DataFrame')
elif isinstance(data,Table):

6
python/tests/reference/VTK/polyData.vtp
View File

@ -3,11 +3,11 @@
<PolyData>
<Piece NumberOfPoints="10" NumberOfVerts="0" NumberOfLines="0" NumberOfStrips="0" NumberOfPolys="0">
<PointData>
<DataArray type="Float64" Name="coordinates" NumberOfComponents="3" format="binary" RangeMin="0.7453559924999299" RangeMax="2.449489742783178">
AQAAAACAAADwAAAAagAAAA==eF5jYMAGPuyXOV4IRHvsIfQZe8u+xxZ9j1/sh/Eh9B37IjDj4f5QMLhqD6Gf2odB+Pth6iD0G3sFiLn7ofqg+j/CxOH6IfRX+xCouRYQ+6H0D/sCqH6YuRD6D1wd1B9QmsEBxgcAJsNfhw==
<DataArray type="Float32" Name="coordinates" NumberOfComponents="3" format="binary" RangeMin="0.7453560147132696" RangeMax="2.449489742783178">
AQAAAACAAAB4AAAAVgAAAA==eF5jYICBhv2WfY9tLfuS7Ypk3PeDaCDf7okF3/7Vq1bZrV6lZQ+k94HEgHL2QHovUM7+iUUfiG0LlQdhkH77Ipnj9iB5qFp7kBjQDiBmcADRANsaLXM=
<InformationKey name="L2_NORM_RANGE" location="vtkDataArray" length="2">
<Value index="0">
0.7453559925
0.74535601471
</Value>
<Value index="1">
2.4494897428

14
python/tests/reference/VTK/rectilinearGrid.vtr
View File

@ -3,27 +3,27 @@
<RectilinearGrid WholeExtent="0 5 0 6 0 7">
<Piece Extent="0 5 0 6 0 7">
<PointData>
<DataArray type="Float64" Name="node" NumberOfComponents="3" format="binary" RangeMin="0" RangeMax="1.268857754044952">
AQAAAACAAACAHwAAywMAAA==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
<DataArray type="Float32" Name="node" NumberOfComponents="3" format="binary" RangeMin="0" RangeMax="1.268857765318962">
AQAAAACAAADADwAAFQMAAA==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
<InformationKey name="L2_NORM_RANGE" location="vtkDataArray" length="2">
<Value index="0">
0
</Value>
<Value index="1">
1.268857754
1.2688577653
</Value>
</InformationKey>
</DataArray>
</PointData>
<CellData>
<DataArray type="Float64" Name="cell" NumberOfComponents="3" format="binary" RangeMin="0.10871961482881586" RangeMax="1.160792402743735">
AQAAAACAAACwEwAAZQIAAA==eF511r2KFEEYRmHjjY2N9Ao0lQ79yQy8jBVjc29gL0Ezhc1maDBfU0FB3NVgNyqQuged1leZ56sqBpo5HRx4+wS13nn989l6vjzfzm45u/vk9+/NcvL17cuHJx8Lf3D/cD4XfvPq9vmj68vCH19vLwpf/3pvbedT8crjlccrj1ce77vtXBavPF55vPJ45fG+3/hN8crjlccrj1d+vHOb7NyKV368cyte+XrUVZ901YtXftxVL175Ss/f96dX+9MPpedwew6353B7DrdnvXJ71iu3Z73pTa/cnvXK7VlvetMrt2e9cnse79wmO7fildvzeOdWvOlt3FUvXrk9j7vqE+9uWQ/46qL0HG7P4fYcbs/h9qxXbs965fasN73plduzXrk9601veuX2rFduz+Od22TnVrxyex7v3Io3vY276sUrt+dxV33i3f37/vYcbs/h9hxuz+H2rFduz3rl9pynPYfbs165PeuV27NeuT3rlduz3j//22TnVrxyew6353B7DrdnvXJ71iu353uHa8jZl9JzuD2H23O4PYfbs165PeuV27Pe9KZXbs965fasN73plduzXrk9j3duk51b8crtebxzK970Nu6qF6/cnsdd9Yl3tzzdLtbfSs/h9hxuz+H2HG7PeuX2rFduz3rTm165PeuV27Pe9KZXbs965fY83rlNdm7FK7fn8c6teNPbuKtevHJ7HnfVJ97d8uJwDdn/KD2H23O4PYfbc7g965Xbs165PetNb3rl9qxXbs9605teuT3rldvzeOc22bkVr9yexzu34k1v46568crtedzVf/4LDINsdg==
<DataArray type="Float32" Name="cell" NumberOfComponents="3" format="binary" RangeMin="0.10871961651677305" RangeMax="1.1607924233069467">
AQAAAACAAADYCQAA8QEAAA==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
<InformationKey name="L2_NORM_RANGE" location="vtkDataArray" length="2">
<Value index="0">
0.10871961483
0.10871961652
</Value>
<Value index="1">
1.1607924027
1.1607924233
</Value>
</InformationKey>
</DataArray>

30
python/tests/test_VTK.py
View File

@ -1,3 +1,7 @@
import os
import filecmp
import time
import pytest
import numpy as np
@ -17,7 +21,7 @@ class TestVTK:
origin = np.random.random(3)
v = VTK.from_rectilinearGrid(grid,size,origin)
string = v.__repr__()
v.write(tmp_path/'rectilinearGrid')
v.write(tmp_path/'rectilinearGrid',False)
vtr = VTK.from_file(tmp_path/'rectilinearGrid.vtr')
with open(tmp_path/'rectilinearGrid.vtk','w') as f:
f.write(string)
@ -25,10 +29,10 @@ class TestVTK:
assert(string == vtr.__repr__() == vtk.__repr__())
def test_polyData(self,tmp_path):
points = np.random.rand(3,100)
points = np.random.rand(100,3)
v = VTK.from_polyData(points)
string = v.__repr__()
v.write(tmp_path/'polyData')
v.write(tmp_path/'polyData',False)
vtp = VTK.from_file(tmp_path/'polyData.vtp')
with open(tmp_path/'polyData.vtk','w') as f:
f.write(string)
@ -47,14 +51,30 @@ class TestVTK:
connectivity = np.random.choice(np.arange(n),n,False).reshape(-1,n)
v = VTK.from_unstructuredGrid(nodes,connectivity,cell_type)
string = v.__repr__()
v.write(tmp_path/'unstructuredGrid')
v.write(tmp_path/'unstructuredGrid',False)
vtu = VTK.from_file(tmp_path/'unstructuredGrid.vtu')
with open(tmp_path/'unstructuredGrid.vtk','w') as f:
f.write(string)
vtk = VTK.from_file(tmp_path/'unstructuredGrid.vtk','unstructuredgrid')
assert(string == vtu.__repr__() == vtk.__repr__())
@pytest.mark.parametrize('name,dataset_type',[('this_file_does_not_exist.vtk',None),
def test_parallel_out(self,tmp_path):
points = np.random.rand(102,3)
v = VTK.from_polyData(points)
fname_s = tmp_path/'single.vtp'
fname_p = tmp_path/'parallel.vtp'
v.write(fname_s,False)
v.write(fname_p,True)
for i in range(10):
if os.path.isfile(fname_p) and filecmp.cmp(fname_s,fname_p):
assert(True)
return
time.sleep(.5)
assert(False)
@pytest.mark.parametrize('name,dataset_type',[('this_file_does_not_exist.vtk', None),
('this_file_does_not_exist.vtk','vtk'),
('this_file_does_not_exist.vtx', None)])
def test_invalid_dataset_type(self,dataset_type,name):

12
src/DAMASK_interface.f90
View File

@ -6,7 +6,7 @@
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
!! by DAMASK
!> @details Interfacing between the PETSc-based solvers and the material subroutines provided
!> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
!> by DAMASK. Interpreting the command line arguments to get load case, geometry file,
!> and working directory.
!--------------------------------------------------------------------------------------------------
#define PETSC_MAJOR 3
@ -20,11 +20,11 @@ module DAMASK_interface
use prec
use system_routines
implicit none
private
logical, volatile, public, protected :: &
SIGTERM, & !< termination signal
SIGTERM, & !< termination signal
SIGUSR1, & !< 1. user-defined signal
SIGUSR2 !< 2. user-defined signal
integer, public, protected :: &
@ -159,14 +159,14 @@ subroutine DAMASK_interface_init
call MPI_Type_size(MPI_INTEGER,typeSize,err)
if (err /= 0) call quit(1)
if (typeSize*8 /= bit_size(0)) then
write(6,'(a)') ' Mismatch between MPI and DAMASK integer'
write(6,'(a)') ' Mismatch between MPI and DAMASK integer'
call quit(1)
endif
call MPI_Type_size(MPI_DOUBLE,typeSize,err)
if (err /= 0) call quit(1)
if (typeSize*8 /= storage_size(0.0_pReal)) then
write(6,'(a)') ' Mismatch between MPI and DAMASK real'
write(6,'(a)') ' Mismatch between MPI and DAMASK real'
call quit(1)
endif
@ -340,7 +340,7 @@ end function getGeometryFile
!--------------------------------------------------------------------------------------------------
!> @brief relative path of loadcase from command line arguments
!> @brief relative path of load case from command line arguments
!--------------------------------------------------------------------------------------------------
function getLoadCaseFile(loadCaseParameter)

6
src/constitutive.f90
View File

@ -375,7 +375,7 @@ subroutine constitutive_init
constitutive_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,material_Nphase
!--------------------------------------------------------------------------------------------------
! partition and inititalize state
! partition and initialize state
plasticState(ph)%partionedState0 = plasticState(ph)%state0
plasticState(ph)%state = plasticState(ph)%partionedState0
forall(s = 1:phase_Nsources(ph))
@ -450,7 +450,7 @@ end subroutine constitutive_dependentState
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: Discuss wheter it makes sense if crystallite handles the configuration conversion, i.e.
! ToDo: Discuss whether it makes sense if crystallite handles the configuration conversion, i.e.
! Mp in, dLp_dMp out
!--------------------------------------------------------------------------------------------------
subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
@ -660,7 +660,7 @@ end subroutine constitutive_SandItsTangents
!--------------------------------------------------------------------------------------------------
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> the elastic and intermeidate deformation gradients using Hookes law
!> the elastic and intermediate deformation gradients using Hooke's law
!--------------------------------------------------------------------------------------------------
subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
Fe, Fi, ipc, ip, el)

2
src/constitutive_plastic_nonlocal.f90
View File

@ -37,7 +37,7 @@ submodule(constitutive) plastic_nonlocal
! BEGIN DEPRECATED
integer, dimension(:,:,:), allocatable :: &
iRhoU, & !< state indices for unblocked density
iV, & !< state indices for dislcation velocities
iV, & !< state indices for dislocation velocities
iD !< state indices for stable dipole height
!END DEPRECATED

10
src/homogenization_mech_none.f90
View File

@ -9,7 +9,7 @@ submodule(homogenization) homogenization_mech_none
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!> @brief allocates all necessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
module subroutine mech_none_init
@ -17,22 +17,22 @@ module subroutine mech_none_init
Ninstance, &
h, &
NofMyHomog
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'; flush(6)
Ninstance = count(homogenization_type == HOMOGENIZATION_NONE_ID)
if (iand(debug_level(debug_HOMOGENIZATION),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
do h = 1, size(homogenization_type)
if (homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
NofMyHomog = count(material_homogenizationAt == h)
homogState(h)%sizeState = 0
allocate(homogState(h)%state0 (0,NofMyHomog))
allocate(homogState(h)%subState0(0,NofMyHomog))
allocate(homogState(h)%state (0,NofMyHomog))
enddo
end subroutine mech_none_init

2
src/kinematics_thermal_expansion.f90
View File

@ -102,7 +102,7 @@ end function kinematics_thermal_expansion_initialStrain
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!> @brief constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip, el)

76
src/list.f90
View File

@ -1,18 +1,18 @@
!-------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief linked list
!> @brief Linked list
!--------------------------------------------------------------------------------------------------
module list
use prec
use IO
implicit none
private
private
type, private :: tPartitionedString
character(len=:), allocatable :: val
integer, dimension(:), allocatable :: pos
end type tPartitionedString
type, public :: tPartitionedStringList
type(tPartitionedString) :: string
type(tPartitionedStringList), pointer :: next => null()
@ -20,31 +20,31 @@ module list
procedure :: add => add
procedure :: show => show
procedure :: free => free
! currently, a finalize is needed for all shapes of tPartitionedStringList.
! with Fortran 2015, we can define one recursive elemental function
! https://software.intel.com/en-us/forums/intel-visual-fortran-compiler-for-windows/topic/543326
final :: finalize, &
finalizeArray
finalizeArray
procedure :: keyExists => keyExists
procedure :: countKeys => countKeys
procedure :: getFloat => getFloat
procedure :: getInt => getInt
procedure :: getString => getString
procedure :: getFloats => getFloats
procedure :: getInts => getInts
procedure :: getStrings => getStrings
end type tPartitionedStringList
contains
!--------------------------------------------------------------------------------------------------
!> @brief add element
!> @details Adds a string together with the start/end position of chunks in this string. The new
!> @details Adds a string together with the start/end position of chunks in this string. The new
!! element is added at the end of the list. Empty strings are not added. All strings are converted
!! to lower case. The data is not stored in the new element but in the current.
!--------------------------------------------------------------------------------------------------
@ -177,7 +177,7 @@ end function countKeys
!--------------------------------------------------------------------------------------------------
!> @brief gets float value of for a given key from a linked list
!> @details gets the last value if the key occurs more than once. If key is not found exits with
!> @details gets the last value if the key occurs more than once. If key is not found exits with
!! error unless default is given
!--------------------------------------------------------------------------------------------------
real(pReal) function getFloat(this,key,defaultVal)
@ -187,11 +187,11 @@ real(pReal) function getFloat(this,key,defaultVal)
real(pReal), intent(in), optional :: defaultVal
type(tPartitionedStringList), pointer :: item
logical :: found
getFloat = huge(1.0) ! suppress warning about unitialized value
found = present(defaultVal)
if (found) getFloat = defaultVal
item => this
do while (associated(item%next))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
@ -209,7 +209,7 @@ end function getFloat
!--------------------------------------------------------------------------------------------------
!> @brief gets integer value of for a given key from a linked list
!> @details gets the last value if the key occurs more than once. If key is not found exits with
!> @details gets the last value if the key occurs more than once. If key is not found exits with
!! error unless default is given
!--------------------------------------------------------------------------------------------------
integer function getInt(this,key,defaultVal)
@ -223,7 +223,7 @@ integer function getInt(this,key,defaultVal)
getInt = huge(1) ! suppress warning about unitialized value
found = present(defaultVal)
if (found) getInt = defaultVal
item => this
do while (associated(item%next))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
@ -241,12 +241,12 @@ end function getInt
!--------------------------------------------------------------------------------------------------
!> @brief gets string value of for a given key from a linked list
!> @details gets the last value if the key occurs more than once. If key is not found exits with
!! error unless default is given. If raw is true, the the complete string is returned, otherwise
!> @details gets the last value if the key occurs more than once. If key is not found exits with
!! error unless default is given. If raw is true, the the complete string is returned, otherwise
!! the individual chunks are returned
!--------------------------------------------------------------------------------------------------
character(len=pStringLen) function getString(this,key,defaultVal,raw)
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
character(len=*), intent(in), optional :: defaultVal
@ -259,19 +259,19 @@ character(len=pStringLen) function getString(this,key,defaultVal,raw)
else
whole = .false.
endif
found = present(defaultVal)
if (found) then
if (len_trim(defaultVal) > len(getString)) call IO_error(0,ext_msg='getString')
getString = trim(defaultVal)
endif
item => this
do while (associated(item%next))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
found = .true.
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
if (whole) then
getString = trim(item%string%val(item%string%pos(4):)) ! raw string starting a second chunk
else
@ -280,7 +280,7 @@ character(len=pStringLen) function getString(this,key,defaultVal,raw)
endif
item => item%next
enddo
if (.not. found) call IO_error(140,ext_msg=key)
end function getString
@ -292,7 +292,7 @@ end function getString
!! values from the last occurrence. If key is not found exits with error unless default is given.
!--------------------------------------------------------------------------------------------------
function getFloats(this,key,defaultVal,requiredSize)
real(pReal), dimension(:), allocatable :: getFloats
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
@ -302,12 +302,12 @@ function getFloats(this,key,defaultVal,requiredSize)
integer :: i
logical :: found, &
cumulative
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
found = .false.
allocate(getFloats(0))
item => this
do while (associated(item%next))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
@ -320,7 +320,7 @@ function getFloats(this,key,defaultVal,requiredSize)
endif
item => item%next
enddo
if (.not. found) then
if (present(defaultVal)) then; getFloats = defaultVal; else; call IO_error(140,ext_msg=key); endif
endif
@ -337,7 +337,7 @@ end function getFloats
!! values from the last occurrence. If key is not found exits with error unless default is given.
!--------------------------------------------------------------------------------------------------
function getInts(this,key,defaultVal,requiredSize)
integer, dimension(:), allocatable :: getInts
class(tPartitionedStringList), target, intent(in) :: this
character(len=*), intent(in) :: key
@ -347,12 +347,12 @@ function getInts(this,key,defaultVal,requiredSize)
integer :: i
logical :: found, &
cumulative
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
found = .false.
allocate(getInts(0))
item => this
do while (associated(item%next))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
@ -365,7 +365,7 @@ function getInts(this,key,defaultVal,requiredSize)
endif
item => item%next
enddo
if (.not. found) then
if (present(defaultVal)) then; getInts = defaultVal; else; call IO_error(140,ext_msg=key); endif
endif
@ -383,7 +383,7 @@ end function getInts
!! If raw is true, the the complete string is returned, otherwise the individual chunks are returned
!--------------------------------------------------------------------------------------------------
function getStrings(this,key,defaultVal,raw)
character(len=pStringLen),dimension(:), allocatable :: getStrings
class(tPartitionedStringList),target, intent(in) :: this
character(len=*), intent(in) :: key
@ -395,7 +395,7 @@ function getStrings(this,key,defaultVal,raw)
logical :: found, &
whole, &
cumulative
cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
if (present(raw)) then
whole = raw
@ -403,14 +403,14 @@ function getStrings(this,key,defaultVal,raw)
whole = .false.
endif
found = .false.
item => this
do while (associated(item%next))
if (trim(IO_stringValue(item%string%val,item%string%pos,1)) == trim(key)) then
found = .true.
if (allocated(getStrings) .and. .not. cumulative) deallocate(getStrings)
if (item%string%pos(1) < 2) call IO_error(143,ext_msg=key)
notAllocated: if (.not. allocated(getStrings)) then
if (whole) then
str = item%string%val(item%string%pos(4):)
@ -437,7 +437,7 @@ function getStrings(this,key,defaultVal,raw)
endif
item => item%next
enddo
if (.not. found) then
if (present(defaultVal)) then
if (len(defaultVal) > len(getStrings)) call IO_error(0,ext_msg='getStrings')

2
src/source_damage_isoDuctile.f90
View File

@ -1,7 +1,7 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating isotropic ductile damage source mechanism
!> @brief material subroutine incorporating isotropic ductile damage source mechanism
!> @details to be done
!--------------------------------------------------------------------------------------------------
module source_damage_isoDuctile

56
src/system_routines.f90
View File

@ -1,14 +1,14 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief provides wrappers to C routines
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Wrappers to C routines for system operations
!--------------------------------------------------------------------------------------------------
module system_routines
use, intrinsic :: ISO_C_Binding
use prec
use prec
implicit none
public :: &
signalterm_C, &
signalusr1_C, &
@ -17,74 +17,74 @@ module system_routines
getCWD, &
getHostName, &
setCWD
interface
function isDirectory_C(path) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR
use prec
integer(C_INT) :: isDirectory_C
character(kind=C_CHAR), dimension(pPathLen), intent(in) :: path ! C string is an array
end function isDirectory_C
subroutine getCurrentWorkDir_C(path, stat) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR
use prec
character(kind=C_CHAR), dimension(pPathLen), intent(out) :: path ! C string is an array
integer(C_INT), intent(out) :: stat
end subroutine getCurrentWorkDir_C
subroutine getHostName_C(str, stat) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR
use prec
character(kind=C_CHAR), dimension(pStringLen), intent(out) :: str ! C string is an array
integer(C_INT), intent(out) :: stat
end subroutine getHostName_C
function chdir_C(path) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_INT, &
C_CHAR
use prec
integer(C_INT) :: chdir_C
character(kind=C_CHAR), dimension(pPathLen), intent(in) :: path ! C string is an array
end function chdir_C
subroutine signalterm_C(handler) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_FUNPTR
type(C_FUNPTR), intent(in), value :: handler
end subroutine signalterm_C
subroutine signalusr1_C(handler) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_FUNPTR
type(C_FUNPTR), intent(in), value :: handler
end subroutine signalusr1_C
subroutine signalusr2_C(handler) bind(C)
use, intrinsic :: ISO_C_Binding, only: &
C_FUNPTR
type(C_FUNPTR), intent(in), value :: handler
end subroutine signalusr2_C
end interface
contains
@ -96,8 +96,8 @@ logical function isDirectory(path)
character(len=*), intent(in) :: path
character(kind=C_CHAR), dimension(pPathLen) :: strFixedLength ! C string as array
integer :: i
integer :: i
strFixedLength = repeat(C_NULL_CHAR,len(strFixedLength))
do i=1,len(path) ! copy array components
strFixedLength(i)=path(i:i)
@ -116,9 +116,9 @@ function getCWD()
character(len=:), allocatable :: getCWD
integer(C_INT) :: stat
integer :: i
call getCurrentWorkDir_C(charArray,stat)
if (stat /= 0_C_INT) then
getCWD = 'Error occured when getting currend working directory'
else
@ -145,7 +145,7 @@ function getHostName()
character(len=:), allocatable :: getHostName
integer(C_INT) :: stat
integer :: i
call getHostName_C(charArray,stat)
if (stat /= 0_C_INT) then
@ -173,7 +173,7 @@ logical function setCWD(path)
character(len=*), intent(in) :: path
character(kind=C_CHAR), dimension(pPathLen) :: strFixedLength ! C string is an array
integer :: i
strFixedLength = repeat(C_NULL_CHAR,len(strFixedLength))
do i=1,len(path) ! copy array components
strFixedLength(i)=path(i:i)

4
src/thermal_conduction.f90
View File

@ -73,7 +73,7 @@ end subroutine thermal_conduction_init
!--------------------------------------------------------------------------------------------------
!> @brief returns heat generation rate
!> @brief return heat generation rate
!--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
@ -132,7 +132,7 @@ end subroutine thermal_conduction_getSourceAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized thermal conductivity in reference configuration
!> @brief return homogenized thermal conductivity in reference configuration
!--------------------------------------------------------------------------------------------------
function thermal_conduction_getConductivity(ip,el)

8
src/thermal_isothermal.f90
View File

@ -8,14 +8,14 @@ module thermal_isothermal
implicit none
public
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!> @brief allocates fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine thermal_isothermal_init
integer :: h,NofMyHomog
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_isothermal_label//' init -+>>>'; flush(6)
@ -28,7 +28,7 @@ subroutine thermal_isothermal_init
allocate(thermalState(h)%state0 (0,NofMyHomog))
allocate(thermalState(h)%subState0(0,NofMyHomog))
allocate(thermalState(h)%state (0,NofMyHomog))
deallocate(temperature (h)%p)
allocate (temperature (h)%p(1), source=thermal_initialT(h))
deallocate(temperatureRate(h)%p)