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DAMASK_EICMD
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I don't like loops 

use language features and helper functions for shorter code
This commit is contained in:
Martin Diehl 2020-02-22 15:48:40 +01:00
parent 7d6c0dc5f4
commit 605e976915
1 changed files with 104 additions and 124 deletions
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52
src/grid/spectral_utilities.f90
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@ -688,9 +688,10 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
type(rotation), intent(in) :: rot_BC !< rotation of load frame
logical, intent(in), dimension(3,3) :: mask_stress !< mask of stress BC
integer :: j, k, m, n
integer :: i, j
logical, dimension(9) :: mask_stressVector
real(pReal), dimension(9,9) :: temp99_Real
logical, dimension(9,9) :: mask
real(pReal), dimension(9,9) :: temp99_real
integer :: size_reduced = 0
real(pReal), dimension(:,:), allocatable :: &
s_reduced, & !< reduced compliance matrix (depending on number of stress BC)
@ -702,10 +703,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
mask_stressVector = reshape(transpose(mask_stress), [9])
size_reduced = count(mask_stressVector)
if(size_reduced > 0) then
allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
allocate (sTimesC(size_reduced,size_reduced), source =0.0_pReal)
temp99_Real = math_3333to99(rot_BC%rotTensor4(C))
temp99_real = math_3333to99(rot_BC%rotate(C))
if(debugGeneral) then
write(6,'(/,a)') ' ... updating masked compliance ............................................'
@ -713,42 +711,21 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
transpose(temp99_Real)*1.0e-9_pReal
flush(6)
endif
k = 0 ! calculate reduced stiffness
do n = 1,9
if(mask_stressVector(n)) then
k = k + 1
j = 0
do m = 1,9
if(mask_stressVector(m)) then
j = j + 1
c_reduced(k,j) = temp99_Real(n,m)
endif; enddo; endif; enddo
do i = 1,9; do j = 1,9
mask(i,j) = mask_stressVector(i) .and. mask_stressVector(j)
enddo; enddo
c_reduced = reshape(pack(temp99_Real,mask),[size_reduced,size_reduced])
allocate(s_reduced,mold = c_reduced)
call math_invert(s_reduced, errmatinv, c_reduced) ! invert reduced stiffness
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
if (errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
temp99_Real = 0.0_pReal ! fill up compliance with zeros
k = 0
do n = 1,9
if(mask_stressVector(n)) then
k = k + 1
j = 0
do m = 1,9
if(mask_stressVector(m)) then
j = j + 1
temp99_Real(n,m) = s_reduced(k,j)
endif; enddo; endif; enddo
!--------------------------------------------------------------------------------------------------
! check if inversion was successful
sTimesC = matmul(c_reduced,s_reduced)
do m=1, size_reduced
do n=1, size_reduced
errmatinv = errmatinv &
.or. (m==n .and. abs(sTimesC(m,n)-1.0_pReal) > 1.0e-12_pReal) & ! diagonal elements of S*C should be 1
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
enddo
enddo
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_identity2nd(size_reduced),1.0e-12_pReal))
if (debugGeneral .or. errmatinv) then
write(formatString, '(i2)') size_reduced
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
@ -757,15 +734,18 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
if(errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
endif
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
else
temp99_real = 0.0_pReal
endif
utilities_maskedCompliance = math_99to3333(temp99_Real)
if(debugGeneral) then
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
flush(6)
endif
utilities_maskedCompliance = math_99to3333(temp99_Real)
end function utilities_maskedCompliance
@ -862,7 +842,7 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
transpose(P_av)*1.e-6_pReal
if(present(rotation_BC)) &
P_av = rotation_BC%rotTensor2(P_av)
P_av = rotation_BC%rotate(P_av)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
transpose(P_av)*1.e-6_pReal
flush(6)