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Merge branch 'spectral-utilities-cleaning' into 'development' 

Spectral utilities cleaning

See merge request damask/DAMASK!754
This commit is contained in:
Daniel Otto de Mentock 2023-04-19 10:45:35 +00:00
parent 7cd169b542 7caf483dd9
commit 6addc5eb98
2 changed files with 29 additions and 40 deletions
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21
src/grid/spectral_utilities.f90
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@ -339,8 +339,8 @@ end subroutine spectral_utilities_init
!---------------------------------------------------------------------------------------------------
!> @brief updates reference stiffness and potentially precalculated gamma operator
!> @details Sets the current reference stiffness to the stiffness given as an argument.
!> @brief Update reference stiffness and potentially precalculated gamma operator.
!> @details Set the current reference stiffness to the stiffness given as an argument.
!> If the gamma operator is precalculated, it is calculated with this stiffness.
!> In case of an on-the-fly calculation, only the reference stiffness is updated.
!---------------------------------------------------------------------------------------------------
@ -399,19 +399,8 @@ end subroutine utilities_updateGamma
!--------------------------------------------------------------------------------------------------
!> @brief backward FFT of data in field_fourier to field_real
!> @details Does an weighted inverse FFT transform from complex to real
!--------------------------------------------------------------------------------------------------
subroutine utilities_FFTvectorBackward()
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
vectorField_real = vectorField_real * wgt ! normalize the result by number of elements
end subroutine utilities_FFTvectorBackward
!--------------------------------------------------------------------------------------------------
!> @brief doing convolution gamma_hat * field_real, ensuring that average value = fieldAim
!> @brief Calculate gamma_hat * field_real (convolution).
!> @details The average value equals the given aim.
!--------------------------------------------------------------------------------------------------
function utilities_GammaConvolution(field, fieldAim) result(gammaField)
@ -830,7 +819,7 @@ end subroutine utilities_constitutiveResponse
!--------------------------------------------------------------------------------------------------
!> @brief calculates forward rate, either guessing or just add delta/Delta_t
!> @brief Calculate forward rate, either as local guess or as homogeneous add on.
!--------------------------------------------------------------------------------------------------
pure function utilities_calculateRate(heterogeneous,field0,field,dt,avRate)

48
src/math.f90
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@ -514,7 +514,7 @@ end subroutine math_invert33
!--------------------------------------------------------------------------------------------------
!> @brief Inversion of symmetriced 3x3x3x3 matrix
!> @brief Invert symmetriced 3x3x3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_invSym3333(A)
@ -530,7 +530,7 @@ pure function math_invSym3333(A)
temp66 = math_sym3333to66(A)
call dgetrf(6,6,temp66,6,ipiv6,ierr_i)
call dgetri(6,temp66,6,ipiv6,work,size(work,1),ierr_f)
call dgetri(6,temp66,6,ipiv6,work,size(work),ierr_f)
if (ierr_i /= 0 .or. ierr_f /= 0) then
error stop 'matrix inversion error'
else
@ -541,7 +541,7 @@ end function math_invSym3333
!--------------------------------------------------------------------------------------------------
!> @brief invert quadratic matrix of arbitrary dimension
!> @brief Invert quadratic matrix of arbitrary dimension.
!--------------------------------------------------------------------------------------------------
pure subroutine math_invert(InvA, error, A)
@ -557,14 +557,14 @@ pure subroutine math_invert(InvA, error, A)
invA = A
call dgetrf(size(A,1),size(A,1),invA,size(A,1),ipiv,ierr)
error = (ierr /= 0)
call dgetri(size(A,1),InvA,size(A,1),ipiv,work,size(work,1),ierr)
call dgetri(size(A,1),InvA,size(A,1),ipiv,work,size(work),ierr)
error = error .or. (ierr /= 0)
end subroutine math_invert
!--------------------------------------------------------------------------------------------------
!> @brief symmetrize a 3x3 matrix
!> @brief Symmetrize a 3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_symmetric33(m)
@ -578,7 +578,7 @@ end function math_symmetric33
!--------------------------------------------------------------------------------------------------
!> @brief skew part of a 3x3 matrix
!> @brief Calculate skew part of a 3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_skew33(m)
@ -592,7 +592,7 @@ end function math_skew33
!--------------------------------------------------------------------------------------------------
!> @brief hydrostatic part of a 3x3 matrix
!> @brief Calculate hydrostatic part of a 3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_spherical33(m)
@ -606,7 +606,7 @@ end function math_spherical33
!--------------------------------------------------------------------------------------------------
!> @brief deviatoric part of a 3x3 matrix
!> @brief Calculate deviatoric part of a 3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_deviatoric33(m)
@ -620,7 +620,7 @@ end function math_deviatoric33
!--------------------------------------------------------------------------------------------------
!> @brief trace of a 3x3 matrix
!> @brief Calculate trace of a 3x3 matrix.
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_trace33(m)
@ -633,7 +633,7 @@ end function math_trace33
!--------------------------------------------------------------------------------------------------
!> @brief determinant of a 3x3 matrix
!> @brief Calculate determinant of a 3x3 matrix.
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_det33(m)
@ -648,7 +648,7 @@ end function math_det33
!--------------------------------------------------------------------------------------------------
!> @brief determinant of a symmetric 3x3 matrix
!> @brief Calculate determinant of a symmetric 3x3 matrix.
!--------------------------------------------------------------------------------------------------
real(pReal) pure function math_detSym33(m)
@ -662,7 +662,7 @@ end function math_detSym33
!--------------------------------------------------------------------------------------------------
!> @brief convert 3x3 matrix into vector 9
!> @brief Convert 3x3 matrix into 9 vector.
!--------------------------------------------------------------------------------------------------
pure function math_33to9(m33)
@ -678,7 +678,7 @@ end function math_33to9
!--------------------------------------------------------------------------------------------------
!> @brief convert 9 vector into 3x3 matrix
!> @brief Convert 9 vector into 3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_9to33(v9)
@ -696,7 +696,7 @@ end function math_9to33
!--------------------------------------------------------------------------------------------------
!> @brief convert symmetric 3x3 matrix into 6 vector
!> @brief Convert symmetric 3x3 matrix into 6 vector.
!> @details Weighted conversion (default) rearranges according to Nye and weights shear
! components according to Mandel. Advisable for matrix operations.
! Unweighted conversion only changes order according to Nye
@ -718,7 +718,7 @@ end function math_sym33to6
!--------------------------------------------------------------------------------------------------
!> @brief convert 6 vector into symmetric 3x3 matrix
!> @brief Convert 6 vector into symmetric 3x3 matrix.
!> @details Weighted conversion (default) rearranges according to Nye and weights shear
! components according to Mandel. Advisable for matrix operations.
! Unweighted conversion only changes order according to Nye
@ -744,7 +744,7 @@ end function math_6toSym33
!--------------------------------------------------------------------------------------------------
!> @brief convert 3x3x3x3 matrix into 9x9 matrix
!> @brief Convert 3x3x3x3 matrix into 9x9 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_3333to99(m3333)
@ -766,7 +766,7 @@ end function math_3333to99
!--------------------------------------------------------------------------------------------------
!> @brief convert 9x9 matrix into 3x3x3x3 matrix
!> @brief Convert 9x9 matrix into 3x3x3x3 matrix.
!--------------------------------------------------------------------------------------------------
pure function math_99to3333(m99)
@ -788,7 +788,7 @@ end function math_99to3333
!--------------------------------------------------------------------------------------------------
!> @brief convert symmetric 3x3x3x3 matrix into 6x6 matrix
!> @brief Convert symmetric 3x3x3x3 matrix into 6x6 matrix.
!> @details Weighted conversion (default) rearranges according to Nye and weights shear
! components according to Mandel. Advisable for matrix operations.
! Unweighted conversion only rearranges order according to Nye
@ -817,7 +817,7 @@ end function math_sym3333to66
!--------------------------------------------------------------------------------------------------
!> @brief convert 6x6 matrix into symmetric 3x3x3x3 matrix
!> @brief Convert 6x6 matrix into symmetric 3x3x3x3 matrix.
!> @details Weighted conversion (default) rearranges according to Nye and weights shear
! components according to Mandel. Advisable for matrix operations.
! Unweighted conversion only rearranges order according to Nye
@ -971,7 +971,7 @@ end subroutine math_normal
!--------------------------------------------------------------------------------------------------
!> @brief eigenvalues and eigenvectors of symmetric matrix
!> @brief Calculate eigenvalues and eigenvectors of symmetric matrix.
!--------------------------------------------------------------------------------------------------
pure subroutine math_eigh(w,v,error,m)
@ -1052,7 +1052,7 @@ end subroutine math_eigh33
!--------------------------------------------------------------------------------------------------
!> @brief Calculate rotational part of a deformation gradient
!> @brief Calculate rotational part of a deformation gradient.
!> @details https://www.jstor.org/stable/43637254
!! https://www.jstor.org/stable/43637372
!! https://doi.org/10.1023/A:1007407802076
@ -1100,7 +1100,7 @@ end function math_rotationalPart
!--------------------------------------------------------------------------------------------------
!> @brief Eigenvalues of symmetric matrix
!> @brief Calculate eigenvalues of symmetric matrix.
! will return NaN on error
!--------------------------------------------------------------------------------------------------
pure function math_eigvalsh(m)
@ -1113,8 +1113,8 @@ pure function math_eigvalsh(m)
real(pReal), dimension(size(m,1)**2) :: work
m_= m ! copy matrix to input (will be destroyed)
call dsyev('N','U',size(m,1),m_,size(m,1),math_eigvalsh,work,size(work,1),ierr)
m_ = m ! m_ will be destroyed
call dsyev('N','U',size(m,1),m_,size(m,1),math_eigvalsh,work,size(work),ierr)
if (ierr /= 0) math_eigvalsh = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
end function math_eigvalsh