Merge branch '394-structure-of-the-numerics-file' into 'development'

correct location Closes #394 See merge request damask/DAMASK!922
damask-multiphysics · Mar 23, 2024 · 69e0729 · 69e0729
2 parents 20b4b5a + 561b1f2
commit 69e0729
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diff --git a/examples/config/numerics.yaml b/examples/config/numerics.yaml
@@ -24,6 +24,10 @@ solver:
       eps_rel_div(P): 5.0e-4            # relative tolerance for fulfillment of stress equilibrium
       eps_abs_P: 1.0e3                  # absolute tolerance for fulfillment of stress BC
       eps_rel_P: 1.0e-3                 # relative tolerance for fulfillment of stress BC
+      eps_abs_curl(F): 1.0e-10          # absolute tolerance for fulfillment of strain compatibility
+      eps_rel_curl(F): 5.0e-4           # relative tolerance for fulfillment of strain compatibility
+      alpha: 1.0                        # polarization scheme parameter 0.0 < alpha < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
+      beta: 1.0                         # polarization scheme parameter 0.0 <  beta < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
       update_gamma: false               # update Gamma-operator with current dPdF (not possible if FFT: memory_efficient == true)
       PETSc_options: -snes_type ngmres -snes_ngmres_anderson   # PETSc solver options
 
@@ -33,10 +37,6 @@ solver:
       derivative: continuous            # approximation used for derivatives in Fourier space {continuous, central_difference, FWBW_difference}
       FFTW_plan_mode: FFTW_MEASURE      # planning-rigor flags, see manual at https://www.fftw.org/fftw3_doc/Planner-Flags.html
       FFTW_timelimit: -1.0              # time limit of plan creation for FFTW, see manual on www.fftw.org. (-1.0: disable time limit)
-      alpha: 1.0                        # polarization scheme parameter 0.0 < alpha < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
-      beta: 1.0                         # polarization scheme parameter 0.0 <  beta < 2.0 (1.0: AL scheme, 2.0: accelerated scheme)
-      eps_abs_curl(F): 1.0e-10          # absolute tolerance for fulfillment of strain compatibility
-      eps_rel_curl(F): 5.0e-4           # relative tolerance for fulfillment of strain compatibility
 
   mesh:
     N_cutback_max:        3             # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)

diff --git a/src/grid/grid_mech_spectral_basic.f90 b/src/grid/grid_mech_spectral_basic.f90
@@ -112,7 +112,6 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
   real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
   integer(HID_T) :: fileHandle, groupHandle
   type(tDict), pointer :: &
-    num_grid_fft, &
     num_grid_mech
   character(len=:), allocatable :: &
     extmsg, &
@@ -129,7 +128,6 @@ subroutine grid_mechanical_spectral_basic_init(num_grid)
 
 !-------------------------------------------------------------------------------------------------
 ! read numerical parameters and do sanity checks
-  num_grid_fft =>  num_grid%get_dict('FFT',defaultVal=emptyDict)
   num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
 
   num%itmin           = num_grid_mech%get_asInt('N_iter_min',defaultVal=1)

diff --git a/src/grid/grid_mech_spectral_polarization.f90 b/src/grid/grid_mech_spectral_polarization.f90
@@ -126,7 +126,6 @@ subroutine grid_mechanical_spectral_polarization_init(num_grid)
   real(pREAL), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
   integer(HID_T) :: fileHandle, groupHandle
   type(tDict), pointer :: &
-    num_grid_fft,&
     num_grid_mech
   character(len=:), allocatable :: &
     extmsg, &
@@ -140,7 +139,6 @@ subroutine grid_mechanical_spectral_polarization_init(num_grid)
 
 !-------------------------------------------------------------------------------------------------
 ! read numerical parameters and do sanity checks
-  num_grid_fft  => num_grid%get_dict('FFT',defaultVal=emptyDict)
   num_grid_mech => num_grid%get_dict('mechanical',defaultVal=emptyDict)
 
   num%itmin           = num_grid_mech%get_asInt('N_iter_min',defaultVal=1)