polishing

src/grid/grid_damage_spectral.f90

@@ -15,8 +15,8 @@ module grid_damage_spectral
   use IO
   use spectral_utilities
   use discretization_grid
-  use YAML_types
   use homogenization
+  use YAML_types
   use config
 
   implicit none
@@ -61,7 +61,7 @@ contains
 !> @brief allocates all neccessary fields and fills them with data
 ! ToDo: Restart not implemented
 !--------------------------------------------------------------------------------------------------
-subroutine grid_damage_spectral_init
+subroutine grid_damage_spectral_init()
 
   PetscInt, dimension(0:worldsize-1) :: localK
   DM :: damage_grid
@@ -146,6 +146,7 @@ subroutine grid_damage_spectral_init
   allocate(phi_current(grid(1),grid(2),grid3), source=1.0_pReal)
   allocate(phi_lastInc(grid(1),grid(2),grid3), source=1.0_pReal)
   allocate(phi_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
+
   call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr)
 
   call updateReference
@@ -226,11 +227,11 @@ subroutine grid_damage_spectral_forward(cutBack)
     phi_stagInc = phi_lastInc
 !--------------------------------------------------------------------------------------------------
 ! reverting damage field state
-    ce = 0
     call SNESGetDM(damage_snes,dm_local,ierr); CHKERRQ(ierr)
     call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)                       !< get the data out of PETSc to work with
     x_scal(xstart:xend,ystart:yend,zstart:zend) = phi_current
     call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
+    ce = 0
     do k = 1, grid3;  do j = 1, grid(2);  do i = 1,grid(1)
       ce = ce + 1
       call homogenization_set_phi(phi_current(i,j,k),ce)
@@ -271,8 +272,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
   ce = 0
   do k = 1, grid3;  do j = 1, grid(2);  do i = 1,grid(1)
     ce = ce + 1
-    vectorField_real(1:3,i,j,k) = matmul(homogenization_K_phi(ce) - K_ref, &
+    vectorField_real(1:3,i,j,k) = matmul(homogenization_K_phi(ce) - K_ref, vectorField_real(1:3,i,j,k))
-                                         vectorField_real(1:3,i,j,k))
   enddo; enddo; enddo
   call utilities_FFTvectorForward
   call utilities_fourierVectorDivergence                                                            !< calculate damage divergence in fourier field
@@ -290,6 +290,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
   call utilities_FFTscalarForward
   call utilities_fourierGreenConvolution(K_ref, mu_ref, params%timeinc)
   call utilities_FFTscalarBackward
+
   where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > phi_lastInc) &
         scalarField_real(1:grid(1),1:grid(2),1:grid3) = phi_lastInc
   where(scalarField_real(1:grid(1),1:grid(2),1:grid3) < num%residualStiffness) &
@@ -305,7 +306,7 @@ end subroutine formResidual
 !--------------------------------------------------------------------------------------------------
 !> @brief update reference viscosity and conductivity
 !--------------------------------------------------------------------------------------------------
-subroutine updateReference
+subroutine updateReference()
 
   integer :: ce,ierr
 

src/grid/grid_thermal_spectral.f90

@@ -18,7 +18,6 @@ module grid_thermal_spectral
   use homogenization
   use YAML_types
   use config
-  use material
 
   implicit none
   private
@@ -68,7 +67,7 @@ subroutine grid_thermal_spectral_init(T_0)
   PetscInt, dimension(0:worldsize-1) :: localK
   integer :: i, j, k, ce
   DM :: thermal_grid
-  PetscScalar,  dimension(:,:,:), pointer :: x_scal
+  PetscScalar, dimension(:,:,:), pointer :: T_PETSc
   PetscErrorCode :: ierr
   class(tNode), pointer :: &
     num_grid
@@ -130,6 +129,7 @@ subroutine grid_thermal_spectral_init(T_0)
   allocate(T_current(grid(1),grid(2),grid3), source=0.0_pReal)
   allocate(T_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
   allocate(T_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
+
   ce = 0
   do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
     ce = ce + 1
@@ -138,9 +138,10 @@ subroutine grid_thermal_spectral_init(T_0)
     T_stagInc(i,j,k) = T_current(i,j,k)
     call homogenization_thermal_setField(T_0,0.0_pReal,ce)
   enddo; enddo; enddo
-  call DMDAVecGetArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr)                     !< get the data out of PETSc to work with
+
-  x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current
+  call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,ierr); CHKERRQ(ierr)
-  call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr)
+  T_PETSc(xstart:xend,ystart:yend,zstart:zend) = T_current
+  call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,T_PETSc,ierr); CHKERRQ(ierr)
 
   call updateReference
 
@@ -190,9 +191,7 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
   ce = 0
   do k = 1, grid3;  do j = 1, grid(2);  do i = 1,grid(1)
     ce = ce + 1
-    call homogenization_thermal_setField(T_current(i,j,k), &
+    call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc,ce)
-                                                     (T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc, &
-                                                     ce)
   enddo; enddo; enddo
 
   call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
@@ -223,16 +222,14 @@ subroutine grid_thermal_spectral_forward(cutBack)
 
 !--------------------------------------------------------------------------------------------------
 ! reverting thermal field state
-    ce = 0
     call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
     call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)                       !< get the data out of PETSc to work with
     x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current
     call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
+    ce = 0
     do k = 1, grid3;  do j = 1, grid(2);  do i = 1,grid(1)
       ce = ce + 1
-      call homogenization_thermal_setField(T_current(i,j,k), &
+      call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc,ce)
-                                          (T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc, &
-                                                       ce)
     enddo; enddo; enddo
   else
     T_lastInc = T_current
@@ -270,8 +267,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
   ce = 0
   do k = 1, grid3;  do j = 1, grid(2);  do i = 1,grid(1)
     ce = ce + 1
-    vectorField_real(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, &
+    vectorField_real(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, vectorField_real(1:3,i,j,k))
-                                         vectorField_real(1:3,i,j,k))
   enddo; enddo; enddo
   call utilities_FFTvectorForward
   call utilities_fourierVectorDivergence                                                            !< calculate temperature divergence in fourier field
@@ -300,7 +296,7 @@ end subroutine formResidual
 !--------------------------------------------------------------------------------------------------
 !> @brief update reference viscosity and conductivity
 !--------------------------------------------------------------------------------------------------
-subroutine updateReference
+subroutine updateReference()
 
   integer :: ce,ierr
 

src/homogenization_damage.f90

@@ -38,14 +38,12 @@ module subroutine damage_init()
     configHomogenizations, &
     configHomogenization, &
     configHomogenizationDamage, &
-    num_generic, &
+    num_generic
-    material_homogenization
+  integer :: ho,Nmaterialpoints
-  integer :: ho
-  integer :: Ninstances,Nmaterialpoints,h
 
 
   print'(/,a)', ' <<<+-  homogenization:damage init  -+>>>'
-  print'(/,a)', ' <<<+-  homogenization:damage:pass init  -+>>>'
+
 
   configHomogenizations => config_material%get('homogenization')
   allocate(param(configHomogenizations%length))
@@ -62,6 +60,10 @@ module subroutine damage_init()
 #else
         prm%output = configHomogenizationDamage%get_as1dString('output',defaultVal=emptyStringArray)
 #endif
+        Nmaterialpoints = count(material_homogenizationAt == ho)
+        damageState_h(ho)%sizeState = 1
+        allocate(damageState_h(ho)%state0(1,Nmaterialpoints), source=1.0_pReal)
+        allocate(damageState_h(ho)%state (1,Nmaterialpoints), source=1.0_pReal)
       else
         prm%output = emptyStringArray
       endif
@@ -73,18 +75,7 @@ module subroutine damage_init()
   num_generic => config_numerics%get('generic',defaultVal= emptyDict)
   num_damage%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
 
-  Ninstances = count(damage_type == DAMAGE_nonlocal_ID)
+  call pass_init()
-
-  material_homogenization => config_material%get('homogenization')
-  do h = 1, material_homogenization%length
-    if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
-
-    Nmaterialpoints = count(material_homogenizationAt == h)
-    damageState_h(h)%sizeState = 1
-    allocate(damageState_h(h)%state0   (1,Nmaterialpoints), source=1.0_pReal)
-    allocate(damageState_h(h)%state    (1,Nmaterialpoints), source=1.0_pReal)
-
-  enddo
 
 end subroutine damage_init
 

src/homogenization_damage_pass.f90

@@ -6,8 +6,9 @@ submodule(homogenization:damage) damage_pass
 
 contains
 
-module subroutine pass_init
+module subroutine pass_init()
   
+  print'(/,a)', ' <<<+-  homogenization:damage:pass init  -+>>>'
 
 end subroutine pass_init
 

src/homogenization_thermal.f90

@@ -45,8 +45,6 @@ module subroutine thermal_init()
 
 
   print'(/,a)', ' <<<+-  homogenization:thermal init  -+>>>'
-  print'(/,a)', ' <<<+-  homogenization:thermal:pass init  -+>>>'
-
 
 
   configHomogenizations => config_material%get('homogenization')
@@ -71,6 +69,8 @@ module subroutine thermal_init()
     end associate
   enddo
 
+  call pass_init()
+
 end subroutine thermal_init
 
 

src/homogenization_thermal_pass.f90

@@ -6,8 +6,9 @@ submodule(homogenization:thermal) thermal_pass
 
 contains
 
-module subroutine pass_init
+module subroutine pass_init()
   
+  print'(/,a)', ' <<<+-  homogenization:thermal:pass init  -+>>>'
 
 end subroutine pass_init