Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Philip Eisenlohr
commit
03b023a0d1
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@ -9,6 +9,14 @@
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/* http://stackoverflow.com/questions/30279228/is-there-an-alternative-to-getcwd-in-fortran-2003-2008 */
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int isdirectory_c(const char *dir){
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struct stat statbuf;
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if(stat(dir, &statbuf) != 0)
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return 0;
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return S_ISDIR(statbuf.st_mode);
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}
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void getcurrentworkdir_c(char cwd[], int *stat ){
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char cwd_tmp[1024];
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if(getcwd(cwd_tmp, sizeof(cwd_tmp)) == cwd_tmp){
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@ -20,9 +28,14 @@ void getcurrentworkdir_c(char cwd[], int *stat ){
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}
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}
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int isdirectory_c(const char *dir){
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struct stat statbuf;
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if(stat(dir, &statbuf) != 0)
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return 0;
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return S_ISDIR(statbuf.st_mode);
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void gethostname_c(char hostname[], int *stat ){
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char hostname_tmp[1024];
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if(gethostname(hostname_tmp, sizeof(hostname_tmp)) == 0){
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strcpy(hostname,hostname_tmp);
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*stat = 0;
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}
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else{
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*stat = 1;
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}
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}
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@ -1568,8 +1568,6 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
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msg = 'math_check: R*v == q*v failed'
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case (410_pInt)
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msg = 'eigenvalues computation error'
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case (450_pInt)
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msg = 'unknown symmetry type specified'
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!-------------------------------------------------------------------------------------------------
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! homogenization errors
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@ -1450,7 +1450,7 @@ pure function math_EulerToQ(eulerangles)
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cos(halfangles(1)-halfangles(3)) * s, &
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sin(halfangles(1)-halfangles(3)) * s, &
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sin(halfangles(1)+halfangles(3)) * c ]
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math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation
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math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation
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end function math_EulerToQ
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@ -1508,7 +1508,7 @@ pure function math_EulerAxisAngleToR(axis,omega)
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real(pReal), dimension(3), intent(in) :: axis
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real(pReal), intent(in) :: omega
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math_EulerAxisAngleToR = transpose(math_axisAngleToR(axis,omega)) ! convert to passive rotation
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math_EulerAxisAngleToR = transpose(math_axisAngleToR(axis,omega)) ! convert to passive rotation
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end function math_EulerAxisAngleToR
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@ -1527,7 +1527,7 @@ pure function math_EulerAxisAngleToQ(axis,omega)
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real(pReal), dimension(3), intent(in) :: axis
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real(pReal), intent(in) :: omega
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math_EulerAxisAngleToQ = math_qConj(math_axisAngleToQ(axis,omega)) ! convert to passive rotation
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math_EulerAxisAngleToQ = math_qConj(math_axisAngleToQ(axis,omega)) ! convert to passive rotation
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end function math_EulerAxisAngleToQ
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@ -1550,7 +1550,7 @@ pure function math_axisAngleToQ(axis,omega)
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norm = sqrt(math_mul3x3(axis,axis))
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rotation: if (norm > 1.0e-8_pReal) then
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axisNrm = axis/norm ! normalize axis to be sure
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axisNrm = axis/norm ! normalize axis to be sure
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math_axisAngleToQ = [cos(0.5_pReal*omega), sin(0.5_pReal*omega) * axisNrm(1:3)]
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else rotation
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math_axisAngleToQ = [1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal]
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@ -1864,37 +1864,29 @@ end function math_sampleGaussVar
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!--------------------------------------------------------------------------------------------------
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!> @brief symmetrically equivalent Euler angles for given sample symmetry 1:triclinic, 2:monoclinic, 4:orthotropic
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!> @brief symmetrically equivalent Euler angles for given sample symmetry
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!> @detail 1 (equivalent to != 2 and !=4):triclinic, 2:monoclinic, 4:orthotropic
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!--------------------------------------------------------------------------------------------------
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pure function math_symmetricEulers(sym,Euler)
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implicit none
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integer(pInt), intent(in) :: sym
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integer(pInt), intent(in) :: sym !< symmetry Class
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real(pReal), dimension(3), intent(in) :: Euler
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real(pReal), dimension(3,3) :: math_symmetricEulers
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integer(pInt) :: i,j
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math_symmetricEulers(1,1) = PI+Euler(1)
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math_symmetricEulers(2,1) = Euler(2)
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math_symmetricEulers(3,1) = Euler(3)
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math_symmetricEulers = transpose(reshape([PI+Euler(1), PI-Euler(1), 2.0_pReal*PI-Euler(1), &
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Euler(2), PI-Euler(2), PI -Euler(2), &
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Euler(3), PI+Euler(3), PI +Euler(3)],[3,3])) ! transpose is needed to have symbolic notation instead of column-major
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math_symmetricEulers(1,2) = PI-Euler(1)
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math_symmetricEulers(2,2) = PI-Euler(2)
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math_symmetricEulers(3,2) = PI+Euler(3)
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math_symmetricEulers(1,3) = 2.0_pReal*PI-Euler(1)
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math_symmetricEulers(2,3) = PI-Euler(2)
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math_symmetricEulers(3,3) = PI+Euler(3)
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forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_symmetricEulers(j,i) = modulo(math_symmetricEulers(j,i),2.0_pReal*pi)
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math_symmetricEulers = modulo(math_symmetricEulers,2.0_pReal*pi)
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select case (sym)
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case (4_pInt) ! all done
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case (4_pInt) ! orthotropic: all done
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case (2_pInt) ! return only first
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case (2_pInt) ! monoclinic: return only first
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math_symmetricEulers(1:3,2:3) = 0.0_pReal
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case default ! return blank
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case default ! triclinic: return blank
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math_symmetricEulers = 0.0_pReal
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end select
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@ -20,6 +20,7 @@ module DAMASK_interface
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geometryFile = '', & !< parameter given for geometry file
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loadCaseFile = '' !< parameter given for load case file
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character(len=1024), private :: workingDirectory !< accessed by getSolverWorkingDirectoryName for compatibility reasons
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character, private,parameter :: pathSep = '/'
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public :: &
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getSolverWorkingDirectoryName, &
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@ -31,7 +32,6 @@ module DAMASK_interface
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getLoadCaseFile, &
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rectifyPath, &
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makeRelativePath, &
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getPathSep, &
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IIO_stringValue, &
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IIO_intValue, &
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IIO_lc, &
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@ -44,6 +44,8 @@ contains
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!--------------------------------------------------------------------------------------------------
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subroutine DAMASK_interface_init()
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use system_routines, only: &
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getHostName
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implicit none
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character(len=1024) :: &
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@ -64,6 +66,7 @@ subroutine DAMASK_interface_init()
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integer, dimension(8) :: &
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dateAndTime ! type default integer
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PetscErrorCode :: ierr
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logical :: error
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external :: &
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quit,&
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MPI_Comm_rank,&
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@ -116,54 +119,52 @@ subroutine DAMASK_interface_init()
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tag = IIO_lc(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
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select case(tag)
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case ('-h','--help')
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mainProcess2: if (worldrank == 0) then
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write(6,'(a)') ' #######################################################################'
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write(6,'(a)') ' DAMASK_spectral:'
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write(6,'(a)') ' The spectral method boundary value problem solver for'
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write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit'
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write(6,'(a,/)')' #######################################################################'
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write(6,'(a,/)')' Valid command line switches:'
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write(6,'(a)') ' --geom (-g, --geometry)'
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write(6,'(a)') ' --load (-l, --loadcase)'
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write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)'
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write(6,'(a)') ' --restart (-r, --rs)'
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write(6,'(a)') ' --help (-h)'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Mandatory arguments:'
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write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
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write(6,'(a)') ' Specifies the location of the geometry definition file,'
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write(6,'(a)') ' if no extension is given, .geom will be appended.'
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write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
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write(6,'(a)') ' via --workingdir.'
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write(6,'(a)') ' Make sure the file "material.config" exists in the working'
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write(6,'(a)') ' directory.'
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write(6,'(a)') ' For further configuration place "numerics.config"'
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write(6,'(a)')' and "numerics.config" in that directory.'
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write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
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write(6,'(a)') ' Specifies the location of the load case definition file,'
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write(6,'(a)') ' if no extension is given, .load will be appended.'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Optional arguments:'
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write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
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write(6,'(a)') ' Specifies the working directory and overwrites the default'
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write(6,'(a)') ' "PathToGeomFile".'
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write(6,'(a)') ' Make sure the file "material.config" exists in the working'
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write(6,'(a)') ' directory.'
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write(6,'(a)') ' For further configuration place "numerics.config"'
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write(6,'(a)')' and "numerics.config" in that directory.'
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write(6,'(/,a)')' --restart XX'
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write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
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write(6,'(a)') ' calculate total increment No. XX.'
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write(6,'(a)') ' Appends to existing results file '
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write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
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write(6,'(a)') ' Works only if the restart information for total increment'
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write(6,'(a)') ' No. XX-1 is available in the working directory.'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Help:'
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write(6,'(/,a)')' --help'
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write(6,'(a,/)')' Prints this message and exits'
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call quit(0_pInt) ! normal Termination
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endif mainProcess2
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write(6,'(a)') ' #######################################################################'
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write(6,'(a)') ' DAMASK_spectral:'
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write(6,'(a)') ' The spectral method boundary value problem solver for'
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write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit'
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write(6,'(a,/)')' #######################################################################'
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write(6,'(a,/)')' Valid command line switches:'
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write(6,'(a)') ' --geom (-g, --geometry)'
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write(6,'(a)') ' --load (-l, --loadcase)'
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write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)'
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write(6,'(a)') ' --restart (-r, --rs)'
|
||||
write(6,'(a)') ' --help (-h)'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Mandatory arguments:'
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write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
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||||
write(6,'(a)') ' Specifies the location of the geometry definition file,'
|
||||
write(6,'(a)') ' if no extension is given, .geom will be appended.'
|
||||
write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
|
||||
write(6,'(a)') ' via --workingdir.'
|
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write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "numerics.config" in that directory.'
|
||||
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
|
||||
write(6,'(a)') ' Specifies the location of the load case definition file,'
|
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write(6,'(a)') ' if no extension is given, .load will be appended.'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Optional arguments:'
|
||||
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
|
||||
write(6,'(a)') ' Specifies the working directory and overwrites the default'
|
||||
write(6,'(a)') ' "PathToGeomFile".'
|
||||
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
|
||||
write(6,'(a)') ' directory.'
|
||||
write(6,'(a)') ' For further configuration place "numerics.config"'
|
||||
write(6,'(a)')' and "numerics.config" in that directory.'
|
||||
write(6,'(/,a)')' --restart XX'
|
||||
write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
|
||||
write(6,'(a)') ' calculate total increment No. XX.'
|
||||
write(6,'(a)') ' Appends to existing results file '
|
||||
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
|
||||
write(6,'(a)') ' Works only if the restart information for total increment'
|
||||
write(6,'(a)') ' No. XX-1 is available in the working directory.'
|
||||
write(6,'(/,a)')' -----------------------------------------------------------------------'
|
||||
write(6,'(a)') ' Help:'
|
||||
write(6,'(/,a)')' --help'
|
||||
write(6,'(a,/)')' Prints this message and exits'
|
||||
call quit(0_pInt) ! normal Termination
|
||||
case ('-l', '--load', '--loadcase')
|
||||
loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
|
||||
case ('-g', '--geom', '--geometry')
|
||||
|
|
@ -185,25 +186,23 @@ subroutine DAMASK_interface_init()
|
|||
geometryFile = getGeometryFile(geometryArg)
|
||||
loadCaseFile = getLoadCaseFile(loadCaseArg)
|
||||
|
||||
call get_environment_variable('HOSTNAME',hostName)
|
||||
call get_environment_variable('USER',userName)
|
||||
mainProcess3: if (worldrank == 0) then
|
||||
write(6,'(a,a)') ' Host name: ', trim(hostName)
|
||||
write(6,'(a,a)') ' User name: ', trim(userName)
|
||||
write(6,'(a,a)') ' Path separator: ', getPathSep()
|
||||
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
|
||||
if (len(trim(workingDirArg))>0) &
|
||||
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
|
||||
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
|
||||
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
|
||||
write(6,'(a,a)') ' Working directory: ', trim(getSolverWorkingDirectoryName())
|
||||
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
|
||||
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
|
||||
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
|
||||
if (SpectralRestartInc > 1_pInt) &
|
||||
write(6,'(a,i6.6)') ' Restart at increment: ', spectralRestartInc
|
||||
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
|
||||
endif mainProcess3
|
||||
error = getHostName(hostName)
|
||||
write(6,'(a,a)') ' Host name: ', trim(hostName)
|
||||
write(6,'(a,a)') ' User name: ', trim(userName)
|
||||
write(6,'(a,a)') ' Path separator: ', pathSep
|
||||
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
|
||||
if (len(trim(workingDirArg))>0) &
|
||||
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
|
||||
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
|
||||
write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
|
||||
write(6,'(a,a)') ' Working directory: ', trim(getSolverWorkingDirectoryName())
|
||||
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
|
||||
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
|
||||
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
|
||||
if (SpectralRestartInc > 1_pInt) &
|
||||
write(6,'(a,i6.6)') ' Restart at increment: ', spectralRestartInc
|
||||
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
|
||||
|
||||
end subroutine DAMASK_interface_init
|
||||
|
||||
|
|
@ -222,11 +221,9 @@ character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryA
|
|||
character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
|
||||
character(len=*), intent(in) :: geometryArg !< geometry argument
|
||||
character(len=1024) :: cwd
|
||||
character :: pathSep
|
||||
logical :: error
|
||||
external :: quit
|
||||
|
||||
pathSep = getPathSep()
|
||||
wdGiven: if (len(workingDirectoryArg)>0) then
|
||||
absolutePath: if (workingDirectoryArg(1:1) == pathSep) then
|
||||
storeWorkingDirectory = workingDirectoryArg
|
||||
|
|
@ -262,6 +259,7 @@ end function storeWorkingDirectory
|
|||
character(len=1024) function getSolverWorkingDirectoryName()
|
||||
|
||||
implicit none
|
||||
|
||||
getSolverWorkingDirectoryName = workingDirectory
|
||||
|
||||
end function getSolverWorkingDirectoryName
|
||||
|
|
@ -274,10 +272,8 @@ character(len=1024) function getSolverJobName()
|
|||
|
||||
implicit none
|
||||
integer :: posExt,posSep
|
||||
character :: pathSep
|
||||
character(len=1024) :: tempString
|
||||
|
||||
pathSep = getPathSep()
|
||||
|
||||
tempString = geometryFile
|
||||
posExt = scan(tempString,'.',back=.true.)
|
||||
|
|
@ -308,11 +304,9 @@ character(len=1024) function getGeometryFile(geometryParameter)
|
|||
cwd
|
||||
integer :: posExt, posSep
|
||||
logical :: error
|
||||
character :: pathSep
|
||||
external :: quit
|
||||
|
||||
getGeometryFile = geometryParameter
|
||||
pathSep = getPathSep()
|
||||
posExt = scan(getGeometryFile,'.',back=.true.)
|
||||
posSep = scan(getGeometryFile,pathSep,back=.true.)
|
||||
|
||||
|
|
@ -344,11 +338,9 @@ character(len=1024) function getLoadCaseFile(loadCaseParameter)
|
|||
cwd
|
||||
integer :: posExt, posSep
|
||||
logical :: error
|
||||
character :: pathSep
|
||||
external :: quit
|
||||
|
||||
getLoadCaseFile = loadcaseParameter
|
||||
pathSep = getPathSep()
|
||||
posExt = scan(getLoadCaseFile,'.',back=.true.)
|
||||
posSep = scan(getLoadCaseFile,pathSep,back=.true.)
|
||||
|
||||
|
|
@ -374,11 +366,8 @@ function rectifyPath(path)
|
|||
implicit none
|
||||
character(len=*) :: path
|
||||
character(len=len_trim(path)) :: rectifyPath
|
||||
character :: pathSep
|
||||
integer :: i,j,k,l ! no pInt
|
||||
|
||||
pathSep = getPathSep()
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! remove /./ from path
|
||||
l = len_trim(path)
|
||||
|
|
@ -415,10 +404,8 @@ character(len=1024) function makeRelativePath(a,b)
|
|||
|
||||
implicit none
|
||||
character (len=*) :: a,b
|
||||
character :: pathSep
|
||||
integer :: i,posLastCommonSlash,remainingSlashes !no pInt
|
||||
|
||||
pathSep = getPathSep()
|
||||
posLastCommonSlash = 0
|
||||
remainingSlashes = 0
|
||||
|
||||
|
|
@ -434,35 +421,6 @@ character(len=1024) function makeRelativePath(a,b)
|
|||
end function makeRelativePath
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief counting / and \ in $PATH System variable the character occuring more often is assumed
|
||||
! to be the path separator
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
character function getPathSep()
|
||||
|
||||
implicit none
|
||||
character(len=2048) :: &
|
||||
path
|
||||
integer(pInt) :: &
|
||||
backslash = 0_pInt, &
|
||||
slash = 0_pInt
|
||||
integer :: i
|
||||
|
||||
call get_environment_variable('PATH',path)
|
||||
do i=1, len(trim(path))
|
||||
if (path(i:i)=='/') slash = slash + 1_pInt
|
||||
if (path(i:i)=='\') backslash = backslash + 1_pInt
|
||||
enddo
|
||||
|
||||
if (backslash>slash) then
|
||||
getPathSep = '\'
|
||||
else
|
||||
getPathSep = '/'
|
||||
endif
|
||||
|
||||
end function getPathSep
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief taken from IO, check IO_stringValue for documentation
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -9,7 +9,8 @@ module system_routines
|
|||
|
||||
public :: &
|
||||
isDirectory, &
|
||||
getCWD
|
||||
getCWD, &
|
||||
getHostName
|
||||
|
||||
interface
|
||||
|
||||
|
|
@ -29,6 +30,14 @@ interface
|
|||
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
|
||||
character(kind=C_CHAR), dimension(1024), intent(out) :: str ! C string is an array
|
||||
integer(C_INT),intent(out) :: stat
|
||||
end subroutine getHostName_C
|
||||
|
||||
end interface
|
||||
|
||||
|
||||
|
|
@ -85,5 +94,34 @@ logical function getCWD(str)
|
|||
|
||||
end function getCWD
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief gets the current host name
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical function getHostName(str)
|
||||
use, intrinsic :: ISO_C_Binding, only: &
|
||||
C_INT, &
|
||||
C_CHAR, &
|
||||
C_NULL_CHAR
|
||||
|
||||
implicit none
|
||||
character(len=*), intent(out) :: str
|
||||
character(kind=C_CHAR), dimension(1024) :: strFixedLength ! C string is an array
|
||||
integer(C_INT) :: stat
|
||||
integer :: i
|
||||
|
||||
str = repeat('',len(str))
|
||||
call getHostName_C(strFixedLength,stat)
|
||||
do i=1,1024 ! copy array components until Null string is found
|
||||
if (strFixedLength(i) /= C_NULL_CHAR) then
|
||||
str(i:i)=strFixedLength(i)
|
||||
else
|
||||
exit
|
||||
endif
|
||||
enddo
|
||||
getHostName=merge(.True.,.False.,stat /= 0_C_INT)
|
||||
|
||||
end function getHostName
|
||||
|
||||
end module system_routines
|
||||
|
||||
|
|
|
|||
|
|
@ -8,32 +8,20 @@ plasticity nonlocal
|
|||
(output) rho_edge
|
||||
(output) rho_screw
|
||||
(output) rho_sgl
|
||||
(output) rho_sgl_edge
|
||||
(output) rho_sgl_edge_pos
|
||||
(output) rho_sgl_edge_neg
|
||||
(output) rho_sgl_screw
|
||||
(output) rho_sgl_screw_pos
|
||||
(output) rho_sgl_screw_neg
|
||||
(output) rho_sgl_mobile
|
||||
(output) rho_sgl_edge_mobile
|
||||
(output) rho_sgl_edge_pos_mobile
|
||||
(output) rho_sgl_edge_neg_mobile
|
||||
(output) rho_sgl_screw_mobile
|
||||
(output) rho_sgl_screw_pos_mobile
|
||||
(output) rho_sgl_screw_neg_mobile
|
||||
(output) rho_sgl_immobile
|
||||
(output) rho_sgl_edge_immobile
|
||||
(output) rho_sgl_edge_pos_immobile
|
||||
(output) rho_sgl_edge_neg_immobile
|
||||
(output) rho_sgl_screw_immobile
|
||||
(output) rho_sgl_screw_pos_immobile
|
||||
(output) rho_sgl_screw_neg_immobile
|
||||
(output) rho_dip
|
||||
(output) rho_dip_edge
|
||||
(output) rho_dip_screw
|
||||
(output) excess_rho
|
||||
(output) excess_rho_edge
|
||||
(output) excess_rho_screw
|
||||
(output) rho_forest
|
||||
(output) delta
|
||||
(output) delta_sgl
|
||||
|
|
@ -47,10 +35,8 @@ plasticity nonlocal
|
|||
(output) rho_dot_sgl
|
||||
(output) rho_dot_sgl_mobile
|
||||
(output) rho_dot_dip
|
||||
(output) rho_dot_gen
|
||||
(output) rho_dot_gen_edge
|
||||
(output) rho_dot_gen_screw
|
||||
(output) rho_dot_sgl2dip
|
||||
(output) rho_dot_sgl2dip_edge
|
||||
(output) rho_dot_sgl2dip_screw
|
||||
(output) rho_dot_ann_ath
|
||||
|
|
@ -66,24 +52,6 @@ plasticity nonlocal
|
|||
(output) velocity_edge_neg
|
||||
(output) velocity_screw_pos
|
||||
(output) velocity_screw_neg
|
||||
(output) slipdirection.x
|
||||
(output) slipdirection.y
|
||||
(output) slipdirection.z
|
||||
(output) slipnormal.x
|
||||
(output) slipnormal.y
|
||||
(output) slipnormal.z
|
||||
(output) fluxDensity_edge_pos.x
|
||||
(output) fluxDensity_edge_pos.y
|
||||
(output) fluxDensity_edge_pos.z
|
||||
(output) fluxDensity_edge_neg.x
|
||||
(output) fluxDensity_edge_neg.y
|
||||
(output) fluxDensity_edge_neg.z
|
||||
(output) fluxDensity_screw_pos.x
|
||||
(output) fluxDensity_screw_pos.y
|
||||
(output) fluxDensity_screw_pos.z
|
||||
(output) fluxDensity_screw_neg.x
|
||||
(output) fluxDensity_screw_neg.y
|
||||
(output) fluxDensity_screw_neg.z
|
||||
(output) maximumDipoleHeight_edge
|
||||
(output) maximumDipoleHeight_screw
|
||||
(output) accumulated_shear
|
||||
|
|
|
|||
|
|
@ -14,8 +14,6 @@ plasticity nonlocal
|
|||
(output) rho_dip_edge
|
||||
(output) rho_dip_screw
|
||||
(output) rho_forest
|
||||
(output) excess_rho_edge
|
||||
(output) excess_rho_screw
|
||||
(output) accumulatedshear
|
||||
(output) shearrate
|
||||
(output) resolvedstress
|
||||
|
|
@ -30,24 +28,6 @@ plasticity nonlocal
|
|||
(output) rho_dot_edgejogs
|
||||
(output) rho_dot_flux_edge
|
||||
(output) rho_dot_flux_screw
|
||||
(output) slipdirection.x
|
||||
(output) slipdirection.y
|
||||
(output) slipdirection.z
|
||||
(output) slipnormal.x
|
||||
(output) slipnormal.y
|
||||
(output) slipnormal.z
|
||||
(output) fluxdensity_edge_pos.x
|
||||
(output) fluxdensity_edge_pos.y
|
||||
(output) fluxdensity_edge_pos.z
|
||||
(output) fluxdensity_edge_neg.x
|
||||
(output) fluxdensity_edge_neg.y
|
||||
(output) fluxdensity_edge_neg.z
|
||||
(output) fluxdensity_screw_pos.x
|
||||
(output) fluxdensity_screw_pos.y
|
||||
(output) fluxdensity_screw_pos.z
|
||||
(output) fluxdensity_screw_neg.x
|
||||
(output) fluxdensity_screw_neg.y
|
||||
(output) fluxdensity_screw_neg.z
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # number of slip systems per family
|
||||
|
|
|
|||
|
|
@ -7,11 +7,6 @@ plasticity phenopowerlaw
|
|||
(output) resolvedstress_slip
|
||||
(output) accumulated_shear_slip
|
||||
(output) totalshear
|
||||
(output) resistance_twin
|
||||
(output) shearrate_twin
|
||||
(output) resolvedstress_twin
|
||||
(output) accumulated_shear_twin
|
||||
(output) totalvolfrac_twin
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # per family
|
||||
|
|
@ -26,19 +21,6 @@ n_slip 20
|
|||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
||||
a_slip 2.25
|
||||
gdot0_twin 0.001
|
||||
n_twin 20
|
||||
tau0_twin 31e6 # per family
|
||||
s_pr 0 # push-up factor for slip saturation due to twinning
|
||||
twin_b 0
|
||||
twin_c 0
|
||||
twin_d 0
|
||||
twin_e 0
|
||||
h0_slipslip 75e6
|
||||
h0_twinslip 0
|
||||
h0_twintwin 0
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
atol_resistance 1
|
||||
|
|
|
|||
|
|
@ -23,6 +23,8 @@ class Test():
|
|||
'keep': False,
|
||||
'accept': False,
|
||||
'updateRequest': False,
|
||||
'show': False,
|
||||
'select': None,
|
||||
}
|
||||
for arg in defaults.keys():
|
||||
setattr(self,arg,kwargs.get(arg) if kwargs.get(arg) else defaults[arg])
|
||||
|
|
@ -58,10 +60,18 @@ class Test():
|
|||
action = "store_true",
|
||||
dest = "accept",
|
||||
help = "calculate results but always consider test as successfull")
|
||||
|
||||
self.parser.add_option("-l", "--list",
|
||||
action = "store_true",
|
||||
dest = "show",
|
||||
help = "show all test variants and do no calculation")
|
||||
self.parser.add_option("-s", "--select",
|
||||
dest = "select",
|
||||
help = "run test of given name only")
|
||||
self.parser.set_defaults(keep = self.keep,
|
||||
accept = self.accept,
|
||||
update = self.updateRequest,
|
||||
show = self.show,
|
||||
select = self.select,
|
||||
)
|
||||
|
||||
|
||||
|
|
@ -73,21 +83,26 @@ class Test():
|
|||
self.prepareAll()
|
||||
|
||||
for variant,name in enumerate(self.variants):
|
||||
try:
|
||||
if not self.options.keep:
|
||||
self.prepare(variant)
|
||||
self.run(variant)
|
||||
if self.options.show:
|
||||
logging.critical('{}: {}'.format(variant,name))
|
||||
elif self.options.select is not None and name != self.options.select:
|
||||
pass
|
||||
else:
|
||||
try:
|
||||
if not self.options.keep:
|
||||
self.prepare(variant)
|
||||
self.run(variant)
|
||||
|
||||
self.postprocess(variant)
|
||||
self.postprocess(variant)
|
||||
|
||||
if self.options.update:
|
||||
if self.update(variant) != 0: logging.critical('update for "{}" failed.'.format(name))
|
||||
elif not (self.options.accept or self.compare(variant)): # no update, do comparison
|
||||
return variant+1 # return culprit
|
||||
if self.options.update:
|
||||
if self.update(variant) != 0: logging.critical('update for "{}" failed.'.format(name))
|
||||
elif not (self.options.accept or self.compare(variant)): # no update, do comparison
|
||||
return variant+1 # return culprit
|
||||
|
||||
except Exception as e :
|
||||
logging.critical('exception during variant execution: {}'.format(e))
|
||||
return variant+1 # return culprit
|
||||
except Exception as e :
|
||||
logging.critical('exception during variant execution: {}'.format(e))
|
||||
return variant+1 # return culprit
|
||||
return 0
|
||||
|
||||
def feasible(self):
|
||||
|
|
|
|||
|
|
@ -11,7 +11,7 @@ do
|
|||
< $geom \
|
||||
| \
|
||||
vtk_addRectilinearGridData \
|
||||
--scalar microstructure \
|
||||
--data microstructure \
|
||||
--inplace \
|
||||
--vtk ${geom%.*}.vtk
|
||||
rm ${geom%.*}.vtk
|
||||
|
|
|
|||
|
|
@ -270,7 +270,6 @@ def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
|||
myWalk = point['segments'].pop()
|
||||
grainLegs = [myWalk]
|
||||
myEnd = segments[myWalk][1 if segments[myWalk][0] == myStart else 0]
|
||||
|
||||
while (myEnd != pointId):
|
||||
myV = [points[myEnd]['coords'][0]-points[myStart]['coords'][0],
|
||||
points[myEnd]['coords'][1]-points[myStart]['coords'][1]]
|
||||
|
|
@ -281,18 +280,18 @@ def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
|||
if peek == myWalk:
|
||||
continue # do not go back same path
|
||||
peekEnd = segments[peek][1 if segments[peek][0] == myEnd else 0]
|
||||
peekV = [points[myEnd]['coords'][0]-points[peekEnd]['coords'][0],
|
||||
points[myEnd]['coords'][1]-points[peekEnd]['coords'][1]]
|
||||
peekV = [points[peekEnd]['coords'][0]-points[myEnd]['coords'][0],
|
||||
points[peekEnd]['coords'][1]-points[myEnd]['coords'][1]]
|
||||
peekLen = math.sqrt(peekV[0]**2+peekV[1]**2)
|
||||
if peekLen == 0.0: damask.util.croak('peeklen is zero: peek point {}'.format(peek))
|
||||
crossproduct = (myV[0]*peekV[1] - myV[1]*peekV[0])/myLen/peekLen
|
||||
dotproduct = (myV[0]*peekV[0] + myV[1]*peekV[1])/myLen/peekLen
|
||||
innerAngle = crossproduct*(dotproduct+1.0)
|
||||
innerAngle = math.copysign(1.0,crossproduct)*(dotproduct-1.0)
|
||||
if innerAngle >= best['product']: # takes sharpest left turn
|
||||
best['product'] = innerAngle
|
||||
best['peek'] = peek
|
||||
best['point'] = peekEnd
|
||||
|
||||
|
||||
innerAngleSum += best['product']
|
||||
myWalk = best['peek']
|
||||
myStart = myEnd
|
||||
|
|
@ -301,7 +300,7 @@ def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
|||
if myWalk in points[myStart]['segments']:
|
||||
points[myStart]['segments'].remove(myWalk)
|
||||
else:
|
||||
damask.utilcroak('{} not in segments of point {}'.format(myWalk,myStart))
|
||||
damask.util.croak('{} not in segments of point {}'.format(myWalk,myStart))
|
||||
grainDraw.append(points[myStart]['coords'])
|
||||
grainLegs.append(myWalk)
|
||||
|
||||
|
|
@ -311,7 +310,6 @@ def rcbParser(content,M,size,tolerance,idcolumn,segmentcolumn):
|
|||
else:
|
||||
grains['box'] = grainLegs
|
||||
|
||||
|
||||
# build overall data structure
|
||||
|
||||
rcData = {'dimension':[dX,dY],
|
||||
|
|
@ -772,8 +770,8 @@ def fftbuild(rcData,height,xframe,yframe,resolution,extrusion):
|
|||
'dimension':(xsize,ysize,zsize)}
|
||||
|
||||
frameindex=len(rcData['grain'])+1 # calculate frame index as largest grain index plus one
|
||||
dx = xsize/(xres+1) # calculate step sizes
|
||||
dy = ysize/(yres+1)
|
||||
dx = xsize/(xres) # calculate step sizes
|
||||
dy = ysize/(yres)
|
||||
|
||||
grainpoints = []
|
||||
for segments in rcData['grain']: # get segments of each grain
|
||||
|
|
@ -788,11 +786,10 @@ def fftbuild(rcData,height,xframe,yframe,resolution,extrusion):
|
|||
grainpoints.append([]) # start out blank for current grain
|
||||
for p in sorted(points, key=points.get): # loop thru set of sorted points
|
||||
grainpoints[-1].append([rcData['point'][p][0],rcData['point'][p][1]]) # append x,y of point
|
||||
|
||||
bestGuess = 0 # assume grain 0 as best guess
|
||||
for i in range(int(xres*yres)): # walk through all points in xy plane
|
||||
xtest = -xframe+((i%xres)+0.5)*dx # calculate coordinates
|
||||
ytest = -yframe+(int(i/xres)+0.5)*dy
|
||||
ytest = -yframe+((i//xres)+0.5)*dy
|
||||
if(xtest < 0 or xtest > maxX): # check wether part of frame
|
||||
if( ytest < 0 or ytest > maxY): # part of edges
|
||||
fftdata['fftpoints'].append(frameindex+2) # append frameindex to result array
|
||||
|
|
|
|||
|
|
@ -5,7 +5,7 @@ do
|
|||
vtk_pointcloud $seeds
|
||||
|
||||
vtk_addPointcloudData $seeds \
|
||||
--scalar microstructure,weight \
|
||||
--data microstructure,weight \
|
||||
--inplace \
|
||||
--vtk ${seeds%.*}.vtp \
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue