Merge branch 'cleaning' into 'development'
Cleaning See merge request damask/DAMASK!623
This commit is contained in:
Martin Diehl
commit
938e8bd70c
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@ -128,8 +128,6 @@ module spectral_utilities
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utilities_curlRMS, &
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utilities_fourierScalarGradient, &
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utilities_fourierVectorDivergence, &
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utilities_fourierVectorGradient, &
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utilities_fourierTensorDivergence, &
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utilities_maskedCompliance, &
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utilities_constitutiveResponse, &
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utilities_calculateRate, &
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@ -439,7 +437,7 @@ end subroutine utilities_updateGamma
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!> @details Does an unweighted FFT transform from real to complex. Extra padding entries are set
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! to 0.0
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_FFTtensorForward
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subroutine utilities_FFTtensorForward()
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tensorField_real(1:3,1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
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call fftw_mpi_execute_dft_r2c(planTensorForth,tensorField_real,tensorField_fourier)
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@ -451,7 +449,7 @@ end subroutine utilities_FFTtensorForward
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!> @brief backward FFT of data in field_fourier to field_real
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!> @details Does an weighted inverse FFT transform from complex to real
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_FFTtensorBackward
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subroutine utilities_FFTtensorBackward()
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call fftw_mpi_execute_dft_c2r(planTensorBack,tensorField_fourier,tensorField_real)
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tensorField_real = tensorField_real * wgt ! normalize the result by number of elements
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@ -463,7 +461,7 @@ end subroutine utilities_FFTtensorBackward
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!> @details Does an unweighted FFT transform from real to complex. Extra padding entries are set
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! to 0.0
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_FFTscalarForward
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subroutine utilities_FFTscalarForward()
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scalarField_real(cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
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call fftw_mpi_execute_dft_r2c(planScalarForth,scalarField_real,scalarField_fourier)
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@ -475,7 +473,7 @@ end subroutine utilities_FFTscalarForward
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!> @brief backward FFT of data in scalarField_fourier to scalarField_real
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!> @details Does an weighted inverse FFT transform from complex to real
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_FFTscalarBackward
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subroutine utilities_FFTscalarBackward()
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call fftw_mpi_execute_dft_c2r(planScalarBack,scalarField_fourier,scalarField_real)
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scalarField_real = scalarField_real * wgt ! normalize the result by number of elements
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@ -488,7 +486,7 @@ end subroutine utilities_FFTscalarBackward
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!> @details Does an unweighted FFT transform from real to complex. Extra padding entries are set
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! to 0.0
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_FFTvectorForward
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subroutine utilities_FFTvectorForward()
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vectorField_real(1:3,cells(1)+1:cells1Red*2,:,:) = 0.0_pReal
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call fftw_mpi_execute_dft_r2c(planVectorForth,vectorField_real,vectorField_fourier)
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@ -500,7 +498,7 @@ end subroutine utilities_FFTvectorForward
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!> @brief backward FFT of data in field_fourier to field_real
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!> @details Does an weighted inverse FFT transform from complex to real
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_FFTvectorBackward
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subroutine utilities_FFTvectorBackward()
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call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
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vectorField_real = vectorField_real * wgt ! normalize the result by number of elements
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@ -651,10 +649,10 @@ real(pReal) function utilities_divergenceRMS()
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+ sum(aimag(matmul(tensorField_fourier(1:3,1:3,cells1Red,k,j), &
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conjg(-xi1st(1:3,cells1Red,k,j))*rescaledGeom))**2)
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end do; end do
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if (cells(1) == 1) utilities_divergenceRMS = utilities_divergenceRMS * 0.5_pReal ! counted twice in case of cells(1) == 1
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call MPI_Allreduce(MPI_IN_PLACE,utilities_divergenceRMS,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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utilities_divergenceRMS = sqrt(utilities_divergenceRMS) * wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
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if (cells(1) == 1) utilities_divergenceRMS = utilities_divergenceRMS * 0.5_pReal ! counted twice in case of cells(1) == 1
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end function utilities_divergenceRMS
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@ -669,6 +667,7 @@ real(pReal) function utilities_curlRMS()
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complex(pReal), dimension(3,3) :: curl_fourier
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complex(pReal), dimension(3) :: rescaledGeom
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print'(/,1x,a)', '... calculating curl ......................................................'
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flush(IO_STDOUT)
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@ -715,7 +714,7 @@ real(pReal) function utilities_curlRMS()
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call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1_MPI_INTEGER_KIND,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,err_MPI)
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if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
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utilities_curlRMS = sqrt(utilities_curlRMS) * wgt
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utilities_curlRMS = sqrt(utilities_curlRMS) * wgt ! RMS in real space calculated with Parsevals theorem from Fourier space
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if (cells(1) == 1) utilities_curlRMS = utilities_curlRMS * 0.5_pReal ! counted twice in case of cells(1) == 1
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end function utilities_curlRMS
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@ -817,36 +816,6 @@ subroutine utilities_fourierVectorDivergence()
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end subroutine utilities_fourierVectorDivergence
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate vector gradient in fourier field
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_fourierVectorGradient()
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integer :: i, j, k, m, n
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do j = 1, cells2; do k = 1, cells(3); do i = 1,cells1Red
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do m = 1, 3; do n = 1, 3
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tensorField_fourier(m,n,i,k,j) = vectorField_fourier(m,i,k,j)*xi1st(n,i,k,j)
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end do; end do
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end do; end do; end do
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end subroutine utilities_fourierVectorGradient
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate tensor divergence in fourier field
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_fourierTensorDivergence()
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integer :: i, j, k
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do j = 1, cells2; do k = 1, cells(3); do i = 1,cells1Red
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vectorField_fourier(:,i,k,j) = matmul(tensorField_fourier(:,:,i,k,j),conjg(-xi1st(:,i,k,j)))
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end do; end do; end do
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end subroutine utilities_fourierTensorDivergence
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate constitutive response from homogenization_F0 to F during Delta_t
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!--------------------------------------------------------------------------------------------------
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@ -1036,9 +1005,8 @@ end function utilities_getFreqDerivative
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate coordinates in current configuration for given defgrad field
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! using integration in Fourier space. Similar as in mesh.f90, but using data already defined for
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! convolution
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!> @brief Calculate coordinates in current configuration for given defgrad field
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! using integration in Fourier space.
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!--------------------------------------------------------------------------------------------------
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subroutine utilities_updateCoords(F)
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@ -1085,14 +1053,14 @@ subroutine utilities_updateCoords(F)
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do j = 1, cells2; do k = 1, cells(3); do i = 1, cells1Red
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if (any([i,j+cells2Offset,k] /= 1)) then
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vectorField_fourier(1:3,i,k,j) = matmul(tensorField_fourier(1:3,1:3,i,k,j),xi2nd(1:3,i,k,j)) &
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/ sum(conjg(-xi2nd(1:3,i,k,j))*xi2nd(1:3,i,k,j)) * cmplx(wgt,0.0,pReal)
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/ sum(conjg(-xi2nd(1:3,i,k,j))*xi2nd(1:3,i,k,j))
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else
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vectorField_fourier(1:3,i,k,j) = cmplx(0.0,0.0,pReal)
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end if
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end do; end do; end do
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!$OMP END PARALLEL DO
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call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
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call utilities_FFTvectorBackward()
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!--------------------------------------------------------------------------------------------------
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! average F
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@ -1155,7 +1123,7 @@ end subroutine utilities_updateCoords
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!---------------------------------------------------------------------------------------------------
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!> @brief Write out the current reference stiffness for restart.
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!---------------------------------------------------------------------------------------------------
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subroutine utilities_saveReferenceStiffness
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subroutine utilities_saveReferenceStiffness()
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integer :: &
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fileUnit,ierr
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