Merge remote-tracking branch 'origin/development' into YAML-improvements
This commit is contained in:
Sharan Roongta
commit
100215edb6
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@ -1 +1 @@
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v3.0.0-alpha4-182-gac6d31b1f
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v3.0.0-alpha4-205-g5d0c0f428
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@ -139,10 +139,10 @@ subroutine DAMASK_interface_init
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print'(a)', ' Optional arguments:'
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print'(/,a)',' --workingdirectory PathToWorkingDirectory'
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print'(a)', ' Specifies the working directory and overwrites the default ./'
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print'(a)', ' Make sure the file "material.config" exists in the working'
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print'(a)', ' Make sure the file "material.yaml" exists in the working'
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print'(a)', ' directory.'
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print'(a)', ' For further configuration place "numerics.config"'
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print'(a)',' and "debug.config" in that directory.'
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print'(a)', ' For further configuration place "numerics.yaml"'
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print'(a)',' and "debug.yaml" in that directory.'
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print'(/,a)',' --restart N'
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print'(a)', ' Reads in increment N and continues with calculating'
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print'(a)', ' increment N+1 based on this.'
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@ -151,6 +151,7 @@ module element
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integer, dimension(NIPNEIGHBOR(CELLTYPE(1)),NIP(1)), parameter :: IPNEIGHBOR1 = &
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reshape([&
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-2,-3,-1 &
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! Note: This fix is for gfortran 9 only. gfortran 8 supports neither, gfortran > 9 both variants
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#if !defined(__GFORTRAN__)
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],shape(IPNEIGHBOR1))
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#else
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78
src/math.f90
78
src/math.f90
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@ -90,12 +90,12 @@ subroutine math_init
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integer, dimension(:), allocatable :: randInit
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class(tNode), pointer :: &
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num_generic
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print'(/,a)', ' <<<+- math init -+>>>'; flush(IO_STDOUT)
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num_generic => config_numerics%get('generic',defaultVal=emptyDict)
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randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0)
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call random_seed(size=randSize)
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allocate(randInit(randSize))
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if (randomSeed > 0) then
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@ -233,7 +233,7 @@ end function math_range
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!--------------------------------------------------------------------------------------------------
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!> @brief second rank identity tensor of specified dimension
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!> @brief Rank two identity tensor of specified dimension.
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!--------------------------------------------------------------------------------------------------
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pure function math_eye(d)
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@ -250,21 +250,25 @@ end function math_eye
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!--------------------------------------------------------------------------------------------------
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!> @brief symmetric fourth rank identity tensor of specified dimension
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!> @brief Symmetric rank four identity tensor.
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! from http://en.wikipedia.org/wiki/Tensor_derivative_(continuum_mechanics)#Derivative_of_a_second-order_tensor_with_respect_to_itself
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!--------------------------------------------------------------------------------------------------
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pure function math_identity4th(d)
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pure function math_identity4th()
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real(pReal), dimension(3,3,3,3) :: math_identity4th
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integer, intent(in) :: d !< tensor dimension
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integer :: i,j,k,l
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real(pReal), dimension(d,d,d,d) :: math_identity4th
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real(pReal), dimension(d,d) :: identity2nd
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identity2nd = math_eye(d)
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do i=1,d; do j=1,d; do k=1,d; do l=1,d
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math_identity4th(i,j,k,l) = 0.5_pReal &
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*(identity2nd(i,k)*identity2nd(j,l)+identity2nd(i,l)*identity2nd(j,k))
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:3, j=1:3, k=1:3, l=1:3)
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math_identity4th(i,j,k,l) = 0.5_pReal*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
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enddo
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#else
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do i=1,3; do j=1,3; do k=1,3; do l=1,3
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math_identity4th(i,j,k,l) = 0.5_pReal*(math_I3(i,k)*math_I3(j,l)+math_I3(i,l)*math_I3(j,k))
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enddo; enddo; enddo; enddo
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#endif
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end function math_identity4th
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@ -331,9 +335,16 @@ pure function math_outer(A,B)
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real(pReal), dimension(size(A,1),size(B,1)) :: math_outer
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integer :: i,j
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:size(A,1), j=1:size(B,1))
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math_outer(i,j) = A(i)*B(j)
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enddo
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#else
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do i=1,size(A,1); do j=1,size(B,1)
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math_outer(i,j) = A(i)*B(j)
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enddo; enddo
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#endif
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end function math_outer
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@ -373,9 +384,16 @@ pure function math_mul3333xx33(A,B)
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real(pReal), dimension(3,3) :: math_mul3333xx33
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integer :: i,j
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:3, j=1:3)
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math_mul3333xx33(i,j) = sum(A(i,j,1:3,1:3)*B(1:3,1:3))
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enddo
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#else
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do i=1,3; do j=1,3
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math_mul3333xx33(i,j) = sum(A(i,j,1:3,1:3)*B(1:3,1:3))
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enddo; enddo
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#endif
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end function math_mul3333xx33
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@ -390,9 +408,16 @@ pure function math_mul3333xx3333(A,B)
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real(pReal), dimension(3,3,3,3), intent(in) :: B
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real(pReal), dimension(3,3,3,3) :: math_mul3333xx3333
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:3, j=1:3, k=1:3, l=1:3)
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math_mul3333xx3333(i,j,k,l) = sum(A(i,j,1:3,1:3)*B(1:3,1:3,k,l))
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enddo
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#else
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do i=1,3; do j=1,3; do k=1,3; do l=1,3
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math_mul3333xx3333(i,j,k,l) = sum(A(i,j,1:3,1:3)*B(1:3,1:3,k,l))
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enddo; enddo; enddo; enddo
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#endif
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end function math_mul3333xx3333
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@ -699,6 +724,7 @@ pure function math_6toSym33(v6,weighted)
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real(pReal), dimension(6) :: w
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integer :: i
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if(present(weighted)) then
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w = merge(INVNRMMANDEL,1.0_pReal,weighted)
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else
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@ -723,9 +749,16 @@ pure function math_3333to99(m3333)
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integer :: i,j
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:9, j=1:9)
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math_3333to99(i,j) = m3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j))
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enddo
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#else
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do i=1,9; do j=1,9
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math_3333to99(i,j) = m3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j))
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enddo; enddo
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#endif
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end function math_3333to99
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@ -740,9 +773,15 @@ pure function math_99to3333(m99)
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integer :: i,j
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:9, j=1:9)
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math_99to3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j)) = m99(i,j)
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enddo
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#else
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do i=1,9; do j=1,9
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math_99to3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j)) = m99(i,j)
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enddo; enddo
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#endif
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end function math_99to3333
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@ -762,15 +801,22 @@ pure function math_sym3333to66(m3333,weighted)
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real(pReal), dimension(6) :: w
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integer :: i,j
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if(present(weighted)) then
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w = merge(NRMMANDEL,1.0_pReal,weighted)
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else
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w = NRMMANDEL
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endif
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#ifndef __INTEL_COMPILER
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do concurrent(i=1:6, j=1:6)
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math_sym3333to66(i,j) = w(i)*w(j)*m3333(MAPNYE(1,i),MAPNYE(2,i),MAPNYE(1,j),MAPNYE(2,j))
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enddo
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#else
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do i=1,6; do j=1,6
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math_sym3333to66(i,j) = w(i)*w(j)*m3333(MAPNYE(1,i),MAPNYE(2,i),MAPNYE(1,j),MAPNYE(2,j))
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enddo; enddo
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#endif
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end function math_sym3333to66
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@ -790,6 +836,7 @@ pure function math_66toSym3333(m66,weighted)
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real(pReal), dimension(6) :: w
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integer :: i,j
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if(present(weighted)) then
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w = merge(INVNRMMANDEL,1.0_pReal,weighted)
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else
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@ -815,6 +862,7 @@ pure function math_Voigt66to3333(m66)
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real(pReal), dimension(6,6), intent(in) :: m66 !< 6x6 matrix
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integer :: i,j
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do i=1,6; do j=1, 6
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math_Voigt66to3333(MAPVOIGT(1,i),MAPVOIGT(2,i),MAPVOIGT(1,j),MAPVOIGT(2,j)) = m66(i,j)
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math_Voigt66to3333(MAPVOIGT(2,i),MAPVOIGT(1,i),MAPVOIGT(1,j),MAPVOIGT(2,j)) = m66(i,j)
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@ -868,10 +916,11 @@ subroutine math_eigh(w,v,error,m)
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real(pReal), dimension(size(m,1)), intent(out) :: w !< eigenvalues
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real(pReal), dimension(size(m,1),size(m,1)), intent(out) :: v !< eigenvectors
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logical, intent(out) :: error
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integer :: ierr
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real(pReal), dimension(size(m,1)**2) :: work
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v = m ! copy matrix to input (doubles as output) array
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call dsyev('V','U',size(m,1),v,size(m,1),w,work,size(work,1),ierr)
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error = (ierr /= 0)
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@ -1229,6 +1278,9 @@ subroutine selfTest
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if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
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error stop 'math_det33/math_detSym33'
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if(any(dNeq(t33+transpose(t33),math_mul3333xx33(math_identity4th(),t33+transpose(t33))))) &
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error stop 'math_mul3333xx33/math_identity4th'
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if(any(dNeq0(math_eye(3),math_inv33(math_I3)))) &
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error stop 'math_inv33(math_I3)'
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