some shapes not 100% correct, removed inverse laplace

code/DAMASK_spectral_solverAL.f90

@@ -218,8 +218,8 @@ subroutine AL_init
  endif restart
 
  
- call Utilities_updateIPcoords(F)
+ call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
- call Utilities_constitutiveResponse(F_lastInc,F,&
+ call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
                    0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
  nullify(F)
  nullify(F_lambda)
@@ -352,7 +352,6 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
    tensorField_real, &
    utilities_FFTtensorForward, &
    utilities_fourierGammaConvolution, &
-   Utilities_inverseLaplace, &
    utilities_FFTtensorBackward, &
    Utilities_constitutiveResponse, &
    Utilities_divergenceRMS, &

code/DAMASK_spectral_solverBasicPETSc.f90

@@ -190,8 +190,8 @@ subroutine basicPETSc_init
    F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
  endif restart
 
- call Utilities_updateIPcoords(F)
+ call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
- call Utilities_constitutiveResponse(F_lastInc, F, &
+ call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
     0.0_pReal, &
     P, &
     C_volAvg,C_minMaxAvg, &                                                                         ! global average of stiffness and (min+max)/2
@@ -316,7 +316,6 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
    utilities_FFTtensorForward, &
    utilities_FFTtensorBackward, &
    utilities_fourierGammaConvolution, &
-   Utilities_inverseLaplace, &
    Utilities_constitutiveResponse, &
    Utilities_divergenceRMS
  use IO, only: &

code/DAMASK_spectral_solverPolarisation.f90

@@ -217,8 +217,8 @@ subroutine Polarisation_init
    F_tau_lastInc = 2.0_pReal*F_lastInc
  endif restart
 
- call Utilities_updateIPcoords(F)
+ call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
- call Utilities_constitutiveResponse(F_lastInc,F,&
+ call Utilities_constitutiveResponse(F_lastInc, reshape(F,shape(F_lastInc)), &
    0.0_pReal,P,C_volAvg,C_minMaxAvg,temp33_Real,.false.,math_I3)
  nullify(F)
  nullify(F_tau)
@@ -350,7 +350,6 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
    tensorField_real, &
    utilities_FFTtensorForward, &
    utilities_fourierGammaConvolution, &
-   Utilities_inverseLaplace, &
    utilities_FFTtensorBackward, &
    Utilities_constitutiveResponse, &
    Utilities_divergenceRMS, &

code/DAMASK_spectral_utilities.f90

@@ -139,7 +139,6 @@ module DAMASK_spectral_utilities
    utilities_FFTscalarBackward, &
    utilities_fourierGammaConvolution, &
    utilities_fourierGreenConvolution, &
-   utilities_inverseLaplace, &
    utilities_divergenceRMS, &
    utilities_curlRMS, &
    utilities_fourierScalarGradient, &
@@ -215,7 +214,8 @@ subroutine utilities_init()
    tensorField, &                                                                                   !< field containing data for FFTW in real and fourier space (in place)
    vectorField, &                                                                                   !< field containing data for FFTW in real space when debugging FFTW (no in place)
    scalarField                                                                                      !< field containing data for FFTW in real space when debugging FFTW (no in place)
- integer(C_INTPTR_T) :: gridFFTW(3), alloc_local, local_K, local_K_offset
+ integer(C_INTPTR_T), dimension(3) :: gridFFTW
+ integer(C_INTPTR_T) :: alloc_local, local_K, local_K_offset
  integer(C_INTPTR_T), parameter :: &
    scalarSize = 1_C_INTPTR_T, &
    vecSize = 3_C_INTPTR_T, &
@@ -500,6 +500,7 @@ subroutine utilities_FFTscalarForward()
  
 end subroutine utilities_FFTscalarForward
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief backward FFT of data in scalarField_fourier to scalarField_real
 !> @details Does an weighted inverse FFT transform from complex to real
@@ -512,6 +513,7 @@ subroutine utilities_FFTscalarBackward()
 
 end subroutine utilities_FFTscalarBackward
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief forward FFT of data in field_real to field_fourier with highest freqs. removed
 !> @details Does an unweighted filtered FFT transform from real to complex.
@@ -537,6 +539,7 @@ subroutine utilities_FFTvectorForward()
  
 end subroutine utilities_FFTvectorForward
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief backward FFT of data in field_fourier to field_real
 !> @details Does an weighted inverse FFT transform from complex to real
@@ -549,42 +552,6 @@ subroutine utilities_FFTvectorBackward()
 
 end subroutine utilities_FFTvectorBackward
 
-!--------------------------------------------------------------------------------------------------
-!> @brief doing convolution with inverse laplace kernel
-!--------------------------------------------------------------------------------------------------
-subroutine utilities_inverseLaplace()
- use math, only: &
-   math_inv33, &
-   PI
- use numerics, only: &
-   worldrank 
- use mesh, only: &
-   grid, &
-   grid3, &
-   grid3Offset, &
-   geomSize
-
- implicit none  
- integer(pInt) :: i, j, k
- real(pReal), dimension(3) :: k_s
-
- if (worldrank == 0_pInt) then 
-   write(6,'(/,a)') ' ... doing inverse laplace .................................................'
-   flush(6)
- endif
- 
- do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid1Red
-   k_s = xi2nd(1:3,i,j,k)*scaledGeomSize
-   if (any(int(k_s,pInt) /= 0_pInt)) tensorField_fourier(1:3,1:3,i,j,k-grid3Offset) =  & 
-                                     tensorField_fourier(1:3,1:3,i,j,k-grid3Offset)/ &
-                                     cmplx(-sum((2.0_pReal*PI*k_s/geomSize)**2.0_pReal),0.0_pReal,pReal)
- enddo; enddo; enddo
- 
- if (grid3Offset == 0_pInt) &
-  tensorField_fourier(1:3,1:3,1,1,1) = cmplx(0.0_pReal,0.0_pReal,pReal)
-
-end subroutine utilities_inverseLaplace
- 
 
 !--------------------------------------------------------------------------------------------------
 !> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
@@ -611,7 +578,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
    l, m, n, o
 
  if (worldrank == 0_pInt) then 
-   write(6,'(/,a)') ' ... doing gamma convolution ................................................'
+   write(6,'(/,a)') ' ... doing gamma convolution ...............................................'
    flush(6)
  endif
  
@@ -647,6 +614,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
 
 end subroutine utilities_fourierGammaConvolution
  
+
 !--------------------------------------------------------------------------------------------------
 !> @brief doing convolution DamageGreenOp_hat * field_real
 !--------------------------------------------------------------------------------------------------
@@ -679,6 +647,7 @@ subroutine utilities_fourierGreenConvolution(D_ref, mobility_ref, deltaT)
 
 end subroutine utilities_fourierGreenConvolution
 
+
 !--------------------------------------------------------------------------------------------------
 !> @brief calculate root mean square of divergence of field_fourier
 !--------------------------------------------------------------------------------------------------