Merge branch 'development' of magit1.mpie.de:damask/DAMASK into miscImprovements

VERSION

@@ -1 +1 @@
-v2.0.0-43-ge39441f
+v2.0.0-93-g0ddc29d

code/plastic_isotropic.f90

@@ -7,14 +7,11 @@
 !! untextured polycrystal
 !--------------------------------------------------------------------------------------------------
 module plastic_isotropic
-#ifdef HDF
- use hdf5, only: &
-   HID_T
-#endif
 
  use prec, only: &
    pReal,&
-   pInt
+   pInt, &
+   DAMASK_NaN
  
  implicit none
  private
@@ -40,20 +37,20 @@ module plastic_isotropic
    integer(kind(undefined_ID)), allocatable, dimension(:) :: & 
      outputID
   real(pReal) :: &
-     fTaylor, &
-     tau0, &
-     gdot0, &
-     n, &
-     h0, &
-     h0_slopeLnRate, &
-     tausat, &
-     a, &
-     aTolFlowstress, &
-     aTolShear     , &
-     tausat_SinhFitA=0.0_pReal, &
-     tausat_SinhFitB=0.0_pReal, &
-     tausat_SinhFitC=0.0_pReal, &
-     tausat_SinhFitD=0.0_pReal
+     fTaylor        = DAMASK_NaN, &
+     tau0           = DAMASK_NaN, &
+     gdot0          = DAMASK_NaN, &
+     n              = DAMASK_NaN, &
+     h0             = DAMASK_NaN, &
+     h0_slopeLnRate = 0.0_pReal, &
+     tausat         = DAMASK_NaN, &
+     a              = DAMASK_NaN, &
+     aTolFlowstress = 1.0_pReal, &
+     aTolShear      = 1.0e-6_pReal, &
+     tausat_SinhFitA= 0.0_pReal, &
+     tausat_SinhFitB= 0.0_pReal, &
+     tausat_SinhFitC= 0.0_pReal, &
+     tausat_SinhFitD= 0.0_pReal
   logical :: &
      dilatation = .false.
  end type
@@ -474,7 +471,8 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar_3333,Tstar_v,ipc,ip,e
  implicit none
  real(pReal), dimension(3,3), intent(out) :: &
    Li                                                                                               !< plastic velocity gradient
-
+ real(pReal), dimension(3,3,3,3), intent(out)  :: &
+   dLi_dTstar_3333                                                                                  !< derivative of Li with respect to Tstar as 4th order tensor
  real(pReal), dimension(6),   intent(in) :: &
    Tstar_v                                                                                          !< 2nd Piola Kirchhoff stress tensor in Mandel notation
  integer(pInt),               intent(in) :: &
@@ -484,9 +482,7 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar_3333,Tstar_v,ipc,ip,e
 
  real(pReal), dimension(3,3) :: &
    Tstar_sph_33                                                                                     !< sphiatoric part of the 2nd Piola Kirchhoff stress tensor as 2nd order tensor
- real(pReal), dimension(3,3,3,3), intent(out)  :: &
-   dLi_dTstar_3333                                                                                  !< derivative of Li with respect to Tstar as 4th order tensor
- real(pReal) :: &
+real(pReal) :: &
    gamma_dot, &                                                                                     !< strainrate
    norm_Tstar_sph, &                                                                                !< euclidean norm of Tstar_sph
    squarenorm_Tstar_sph                                                                             !< square of the euclidean norm of Tstar_sph
@@ -523,6 +519,9 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar_3333,Tstar_v,ipc,ip,e
        dLi_dTstar_3333 = gamma_dot / param(instance)%fTaylor * &
                                           dLi_dTstar_3333 / norm_Tstar_sph
      endif
+ else
+  Li = 0.0_pReal
+  dLi_dTstar_3333 = 0.0_pReal
  endif
  
 end subroutine plastic_isotropic_LiAndItsTangent

code/plastic_j2.f90

@@ -207,9 +207,6 @@ subroutine plastic_j2_init(fileUnit)
      phase = phase + 1_pInt                                                                         ! advance section counter
      if (phase_plasticity(phase) == PLASTICITY_J2_ID) then
        instance = phase_plasticityInstance(phase)
-#ifdef HDF
-       outID(instance)=HDF5_addGroup(str1,tempResults)
-#endif
      endif
      cycle                                                                                          ! skip to next line
    endif
@@ -226,21 +223,11 @@ subroutine plastic_j2_init(fileUnit)
              plastic_j2_outputID(plastic_j2_Noutput(instance),instance) = flowstress_ID
              plastic_j2_output(plastic_j2_Noutput(instance),instance) = &
                                                 IO_lc(IO_stringValue(line,chunkPos,2_pInt))
-#ifdef HDF 
-             call HDF5_addScalarDataset(outID(instance),myConstituents,'flowstress','MPa')
-             allocate(plastic_j2_Output2(instance)%flowstress(myConstituents))
-             plastic_j2_Output2(instance)%flowstressActive = .true.
-#endif
            case ('strainrate')
              plastic_j2_Noutput(instance) = plastic_j2_Noutput(instance) + 1_pInt
              plastic_j2_outputID(plastic_j2_Noutput(instance),instance) = strainrate_ID
              plastic_j2_output(plastic_j2_Noutput(instance),instance) = &
                                                 IO_lc(IO_stringValue(line,chunkPos,2_pInt))
-#ifdef HDF 
-             call HDF5_addScalarDataset(outID(instance),myConstituents,'strainrate','1/s')
-             allocate(plastic_j2_Output2(instance)%strainrate(myConstituents))
-             plastic_j2_Output2(instance)%strainrateActive = .true.
-#endif
            case default
 
          end select

processing/post/addSchmidfactors.py

@@ -239,7 +239,9 @@ for name in filenames:
 # ------------------------------------------ assemble header ---------------------------------------
 
   table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
-  table.labels_append(['{id}_S[{direction[0]:.1g}_{direction[1]:.1g}_{direction[2]:.1g}]({normal[0]:.1g}_{normal[1]:.1g}_{normal[2]:.1g})'\
+  table.labels_append(['{id}_'
+                       'S[{direction[0]:.1g}_{direction[1]:.1g}_{direction[2]:.1g}]'
+                       '({normal[0]:.1g}_{normal[1]:.1g}_{normal[2]:.1g})'\
                        .format(       id = i+1,
                                   normal = theNormal,
                                direction = theDirection,