cleaning

src/config.f90

@@ -92,7 +92,7 @@ end subroutine parse_debug
 
 !--------------------------------------------------------------------------------------------------
 !> @brief Deallocate config_material.
-!ToDo: deallocation of numerics debug (optional)
+!ToDo: deallocation of numerics and debug (optional)
 !--------------------------------------------------------------------------------------------------
 subroutine config_deallocate
 

src/material.f90

@@ -32,18 +32,15 @@ module material
     material_name_homogenization                                                                    !< name of each homogenization
 
   integer, dimension(:),     allocatable, public, protected :: &                                    ! (elem)
-    material_homogenizationAt, &                                                                    !< homogenization ID of each element
+    material_homogenizationAt, &                                                                    !< homogenization ID of each element TODO: remove
-    material_homogenizationID, &                                                                    !< per cell
+    material_homogenizationID, &                                                                    !< per cell TODO: material_ID_homogenization
-    material_homogenizationEntry                                                                    !< per cell
+    material_homogenizationEntry                                                                    !< per cell TODO: material_entry_homogenization
-  integer, dimension(:,:),   allocatable :: &                                                       ! (ip,elem)
-    material_homogenizationMemberAt                                                                 !< position of the element within its homogenization instance
   integer, dimension(:,:),   allocatable, public, protected :: &                                    ! (constituent,elem)
-    material_phaseAt, &                                                                             !< phase ID of each element
+    material_phaseAt, &                                                                             !< phase ID of each element TODO: remove
-    material_phaseID, &                                                                             !< per (constituent,cell)
+    material_phaseID, &                                                                             !< per (constituent,cell) TODO: material_ID_phase
-    material_phaseEntry                                                                             !< per (constituent,cell)
+    material_phaseEntry                                                                             !< per (constituent,cell) TODO: material_entry_phase
   integer, dimension(:,:,:), allocatable, public, protected :: &                                    ! (constituent,IP,elem)
-    material_phaseMemberAt                                                                          !< position of the element within its phase instance
+    material_phaseMemberAt !TODO: remove
-
   public :: &
     tRotationContainer, &
     material_orientation0, &
@@ -118,7 +115,6 @@ subroutine parse()
   allocate(counterHomogenization(homogenizations%length),source=0)
 
   allocate(material_homogenizationAt(discretization_Nelems),source=0)
-  allocate(material_homogenizationMemberAt(discretization_nIPs,discretization_Nelems),source=0)
   allocate(material_phaseAt(homogenization_maxNconstituents,discretization_Nelems),source=0)
   allocate(material_phaseMemberAt(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems),source=0)
 
@@ -136,9 +132,8 @@ subroutine parse()
     do ip = 1, discretization_nIPs
       ce = (el-1)*discretization_nIPs + ip
       counterHomogenization(material_homogenizationAt(el)) = counterHomogenization(material_homogenizationAt(el)) + 1
-      material_homogenizationMemberAt(ip,el)               = counterHomogenization(material_homogenizationAt(el))
+      material_homogenizationEntry(ce) = counterHomogenization(material_homogenizationAt(el))
-      material_homogenizationID(ce)    = material_homogenizationAt(el)
+      material_homogenizationID(ce) = material_homogenizationAt(el)
-      material_homogenizationEntry(ce) = material_homogenizationMemberAt(ip,el)
     enddo
 
     frac = 0.0_pReal
@@ -150,10 +145,9 @@ subroutine parse()
       do ip = 1, discretization_nIPs
         ce = (el-1)*discretization_nIPs + ip
         counterPhase(material_phaseAt(co,el)) = counterPhase(material_phaseAt(co,el)) + 1
-        material_phaseMemberAt(co,ip,el)       = counterPhase(material_phaseAt(co,el))
+        material_phaseMemberAt(co,ip,el)      = counterPhase(material_phaseAt(co,el))
-
+        material_phaseEntry(co,ce) = counterPhase(material_phaseAt(co,el))
-        material_phaseID(co,ce)    = material_phaseAt(co,el)
+        material_phaseID(co,ce) = material_phaseAt(co,el)
-        material_phaseEntry(co,ce) = material_phaseMemberAt(co,ip,el)
       enddo
 
     enddo

src/math.f90

@@ -1140,8 +1140,7 @@ end function math_areaTriangle
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief limits a scalar value to a certain range (either one or two sided)
+!> @brief Limit a scalar value to a certain range (either one or two sided).
-! Will return NaN if left > right
 !--------------------------------------------------------------------------------------------------
 real(pReal) pure elemental function math_clip(a, left, right)
 

src/parallelization.f90

@@ -27,7 +27,7 @@ module parallelization
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief calls subroutines that reads material, numerics and debug configuration files
+!> @brief Initialize shared memory (openMP) and distributed memory (MPI) parallelization.
 !--------------------------------------------------------------------------------------------------
 subroutine parallelization_init
 
@@ -42,8 +42,8 @@ subroutine parallelization_init
   ! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
   ! Otherwise, the first call to PETSc will do the initialization.
   call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,err)
-  if (err /= 0)                              error stop 'MPI init failed'
+  if (err /= 0)                        error stop 'MPI init failed'
-  if (threadLevel<MPI_THREAD_FUNNELED)       error stop 'MPI library does not support OpenMP'
+  if (threadLevel<MPI_THREAD_FUNNELED) error stop 'MPI library does not support OpenMP'
 #endif
 
 #if defined(DEBUG)

src/phase.f90

@@ -564,8 +564,8 @@ subroutine crystallite_init()
 
 
   !$OMP PARALLEL DO
-  do el = 1, size(material_phaseMemberAt,3)
+  do el = 1, eMax
-    do ip = 1, size(material_phaseMemberAt,2)
+    do ip = 1, iMax
       do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
         call crystallite_orientations(co,ip,el)
         call plastic_dependentState(co,ip,el)                                          ! update dependent state variables to be consistent with basic states

src/prec.f90

@@ -78,7 +78,7 @@ contains
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief report precision and do self test
+!> @brief Report precision and do self test.
 !--------------------------------------------------------------------------------------------------
 subroutine prec_init
 

src/results.f90

@@ -423,7 +423,7 @@ subroutine results_mapping_phase(ID,entry,label)
 
   integer, dimension(size(entry,1),size(entry,2)) :: &
     entryGlobal
-  integer, dimension(size(label),0:worldsize-1) :: entryOffset                                       !< offset in entry counting per process
+  integer, dimension(size(label),0:worldsize-1) :: entryOffset                                      !< offset in entry counting per process
   integer, dimension(0:worldsize-1)             :: writeSize                                        !< amount of data written per process
   integer(HSIZE_T), dimension(2) :: &
     myShape, &                                                                                      !< shape of the dataset (this process)
@@ -718,7 +718,6 @@ end subroutine results_mapping_homogenization
 !--------------------------------------------------------------------------------------------------
 subroutine executionStamp(path,description,SIunit)
 
-
   character(len=*), intent(in)           :: path,description
   character(len=*), intent(in), optional :: SIunit