some minor polishing on the way

code/constitutive.f90

@@ -135,7 +135,7 @@ subroutine constitutive_init
  character(len=64), dimension(:,:), pointer :: thisOutput
  character(len=32) :: outputName                                                                    !< name of output, intermediate fix until HDF5 output is ready
  logical :: knownPlasticity, nonlocalConstitutionPresent
-#ifdef HDF                                                                                            !< phase
+#ifdef HDF
  integer(pInt), dimension(:,:,:), allocatable :: mappingConstitutive
  integer(pInt), dimension(:,:,:), allocatable :: mappingCrystallite
  integer(pInt), dimension(:), allocatable :: ConstitutivePosition
@@ -245,10 +245,11 @@ subroutine constitutive_init
        select case(phase_elasticity(material_phase(g,i,e)))                                            
          case default                                                                               ! so far no output for elasticity
        end select
-       instance = phase_plasticityInstance(material_phase(g,i,e))
+       phase = material_phase(g,i,e)
+       instance = phase_plasticityInstance(phase)
 #ifdef HDF
-       ConstitutivePosition(instance) = ConstitutivePosition(instance)+1_pInt
+       ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt
-       mappingConstitutive(g,e,1:2)   = [ConstitutivePosition(instance),instance]
+       mappingConstitutive(g,e,1:2)   = [ConstitutivePosition(phase),phase]
 #endif
        select case(phase_plasticity(material_phase(g,i,e)))
          case (PLASTICITY_NONE_ID)

code/constitutive_dislotwin.f90

@@ -372,7 +372,7 @@ subroutine constitutive_dislotwin_init(fileUnit)
              call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_DISLOTWIN_label//')')
           end select
 !--------------------------------------------------------------------------------------------------
-! parameters depending on slip number of slip system families
+! parameters depending on number of slip system families
        case ('nslip')
          if (positions(1) < Nchunks_SlipFamilies + 1_pInt) &
            call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
@@ -435,6 +435,34 @@ subroutine constitutive_dislotwin_init(fileUnit)
            case ('r_twin')
              constitutive_dislotwin_rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies)
          end select
+!--------------------------------------------------------------------------------------------------
+! parameters depending on number of interactions
+       case ('interaction_slipslip','interactionslipslip')
+         if (positions(1) < 1_pInt + Nchunks_SlipSlip) &
+           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
+         do j = 1_pInt, Nchunks_SlipSlip
+           constitutive_dislotwin_interaction_SlipSlip(j,instance) = IO_floatValue(line,positions,1_pInt+j)
+         enddo
+       case ('interaction_sliptwin','interactionsliptwin')
+         if (positions(1) < 1_pInt + Nchunks_SlipTwin) &
+           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
+         do j = 1_pInt, Nchunks_SlipTwin
+           constitutive_dislotwin_interaction_SlipTwin(j,instance) = IO_floatValue(line,positions,1_pInt+j)
+         enddo
+       case ('interaction_twinslip','interactiontwinslip')
+         if (positions(1) < 1_pInt + Nchunks_TwinSlip) &
+           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
+         do j = 1_pInt, Nchunks_TwinSlip
+           constitutive_dislotwin_interaction_TwinSlip(j,instance) = IO_floatValue(line,positions,1_pInt+j)
+         enddo
+       case ('interaction_twintwin','interactiontwintwin')
+         if (positions(1) < 1_pInt + Nchunks_TwinTwin) &
+           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
+         do j = 1_pInt, Nchunks_TwinTwin
+           constitutive_dislotwin_interaction_TwinTwin(j,instance) = IO_floatValue(line,positions,1_pInt+j)
+         enddo
+!--------------------------------------------------------------------------------------------------
+! parameters independent of number of slip/twin systems
        case ('grainsize')
          constitutive_dislotwin_GrainSize(instance) = IO_floatValue(line,positions,2_pInt)
        case ('maxtwinfraction')
@@ -467,30 +495,6 @@ subroutine constitutive_dislotwin_init(fileUnit)
          constitutive_dislotwin_CEdgeDipMinDistance(instance) = IO_floatValue(line,positions,2_pInt)
        case ('catomicvolume')
          constitutive_dislotwin_CAtomicVolume(instance) = IO_floatValue(line,positions,2_pInt)
-       case ('interaction_slipslip','interactionslipslip')
-         if (positions(1) < 1_pInt + Nchunks_SlipSlip) &
-           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
-         do j = 1_pInt, Nchunks_SlipSlip
-           constitutive_dislotwin_interaction_SlipSlip(j,instance) = IO_floatValue(line,positions,1_pInt+j)
-         enddo
-       case ('interaction_sliptwin','interactionsliptwin')
-         if (positions(1) < 1_pInt + Nchunks_SlipTwin) &
-           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
-         do j = 1_pInt, Nchunks_SlipTwin
-           constitutive_dislotwin_interaction_SlipTwin(j,instance) = IO_floatValue(line,positions,1_pInt+j)
-         enddo
-       case ('interaction_twinslip','interactiontwinslip')
-         if (positions(1) < 1_pInt + Nchunks_TwinSlip) &
-           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
-         do j = 1_pInt, Nchunks_TwinSlip
-           constitutive_dislotwin_interaction_TwinSlip(j,instance) = IO_floatValue(line,positions,1_pInt+j)
-         enddo
-       case ('interaction_twintwin','interactiontwintwin')
-         if (positions(1) < 1_pInt + Nchunks_TwinTwin) &
-           call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
-         do j = 1_pInt, Nchunks_TwinTwin
-           constitutive_dislotwin_interaction_TwinTwin(j,instance) = IO_floatValue(line,positions,1_pInt+j)
-         enddo
        case ('sfe_0k')
          constitutive_dislotwin_SFE_0K(instance) = IO_floatValue(line,positions,2_pInt)
        case ('dsfe_dt')

code/mesh.f90

@@ -8,7 +8,6 @@
 !> @author Krishna Komerla, Max-Planck-Institut für Eisenforschung GmbH
 !> @brief Sets up the mesh for the solvers MSC.Marc, Abaqus and the spectral solver 
 !--------------------------------------------------------------------------------------------------
-
 module mesh     
  use, intrinsic :: iso_c_binding
  use prec, only: pReal, pInt
@@ -619,6 +618,7 @@ subroutine mesh_init(ip,el)
 
 end subroutine mesh_init
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief Gives the FE to CP ID mapping by binary search through lookup array
 !! valid questions (what) are 'elem', 'node'
@@ -2462,8 +2462,8 @@ subroutine mesh_marc_get_tableStyles(fileUnit)
 !! 'mesh_Nelems' and 'mesh_Nnodes'
 !--------------------------------------------------------------------------------------------------
 subroutine mesh_marc_count_nodesAndElements(fileUnit)
-
+ use IO, only: &
- use IO,   only: IO_lc, &
+   IO_lc, &
    IO_stringValue, &
    IO_stringPos, &
    IO_IntValue
@@ -2503,8 +2503,8 @@ subroutine mesh_marc_count_nodesAndElements(fileUnit)
 !! 'mesh_maxNelemInSet'
 !--------------------------------------------------------------------------------------------------
  subroutine mesh_marc_count_elementSets(fileUnit)
-
+ use IO, only: &
- use IO,   only: IO_lc, &
+   IO_lc, &
    IO_stringValue, &
    IO_stringPos, &
    IO_countContinuousIntValues
@@ -5115,6 +5115,7 @@ subroutine mesh_write_cellGeom
 #ifdef HDF
  call HDF5_mappingCells(cellconnection(1:j))
 #endif
+
  error=VTK_ini(output_format = 'ASCII', &
        title=trim(getSolverJobName())//' cell mesh', &
        filename = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'_ipbased.vtk', &