DAMASK_EICMD/processing/post/reconstruct.f90

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! -*- f90 -*-
function coordinates2(res_x,res_y,res_z,geomdimension,defgrad)
implicit none
integer, parameter :: pDouble = selected_real_kind(15,50)
integer i,j,k, l,m, s,o, loop, res_x, res_y, res_z
integer, dimension(3) :: res, init, oppo, me, rear
real*8, dimension(3,3) :: defgrad_av
integer, dimension(3) :: resolution
real*8, dimension(3) :: geomdimension, myStep
real*8, dimension(3,3) :: temp33_Real
real*8, dimension(3,res_x, res_y, res_z) :: coordinates2
real*8, dimension(3,3,res_x, res_y, res_z) :: defgrad
real*8, dimension(3,res_x,res_y,res_z,8) :: cornerCoords
real*8, dimension(3,2+res_x,2+res_y,2+res_z,6,8) :: coord
!f2py intent(in) res_x
!f2py intent(in) res_y
!f2py intent(in) res_z
!f2py intent(in) geomdimension
!f2py intent(in) defgrad
!f2py intent(out) coordinates2
!f2py depend(res_x, res_y, res_z) coordinates2
!f2py depend(res_x, res_y, res_z) defgrad
! integer, dimension(3,8) :: corner = reshape((/ &
! 0, 0, 0,&
! 1, 0, 0,&
! 1, 1, 0,&
! 0, 1, 0,&
! 1, 1, 1,&
! 0, 1, 1,&
! 0, 0, 1,&
! 1, 0, 1 &
! /), &
! (/3,8/))
! integer, dimension(3,8) :: step = reshape((/ &
! 1, 1, 1,&
! -1, 1, 1,&
! -1,-1, 1,&
! 1,-1, 1,&
! -1,-1,-1,&
! 1,-1,-1,&
! 1, 1,-1,&
! -1, 1,-1 &
! /), &
! (/3,8/))
! integer, dimension(3,6) :: order = reshape((/ &
! 1, 2, 3,&
! 1, 3, 2,&
! 2, 1, 3,&
! 2, 3, 1,&
! 3, 1, 2,&
! 3, 2, 1 &
! /), &
! (/3,6/))
resolution = (/res_x,res_y,res_z/)
write(6,*) 'defgrad', defgrad
do i=1, 3; do j=1,3
defgrad_av(i,j) = sum(defgrad(i,j,:,:,:)) /real(res_x*res_y*res_z)
enddo; enddo
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
if((k==1).and.(j==1).and.(i==1)) then
temp33_Real = real(0.0)
else
if((j==1).and.(i==1)) then
temp33_Real(1,:) = temp33_Real(1,:) + matmul(defgrad(:,:,i,j,k),&
(/real(0.0),real(0.0),real(geomdimension(3))/(real(resolution(3)))/))
temp33_Real(2,:) = temp33_Real(1,:)
temp33_Real(3,:) = temp33_Real(1,:)
coordinates2(:,i,j,k) = temp33_Real(1,:)
else
if(i==1) then
temp33_Real(2,:) = temp33_Real(2,:) + matmul(defgrad(:,:,i,j,k),&
(/real(0.0),real(geomdimension(2))/(real(resolution(2))),real(0.0)/))
temp33_Real(3,:) = temp33_Real(2,:)
coordinates2(:,i,j,k) = temp33_Real(2,:)
else
temp33_Real(3,:) = temp33_Real(3,:) + matmul(defgrad(:,:,i,j,k),&
(/real(geomdimension(1))/(real(resolution(1))),real(0.0),real(0.0)/))
coordinates2(:,i,j,k) = temp33_Real(3,:)
endif
endif
endif
enddo; enddo; enddo
do i=1, res_x; do j = 1, res_y; do k = 1, res_z
coordinates2(:,i,j,k) = coordinates2(:,i,j,k)+ matmul(defgrad_av,(/geomdimension(1)/real(res_x),geomdimension(2)/real(res_y),geomdimension(3)/real(res_z)/))
enddo; enddo; enddo
res = (/res_x,res_y,res_z/)
do i=1,3; do j=1,3
defgrad_av(i,j) = sum(defgrad(i,j,:,:,:)) /real(res(1)*res(2)*res(3))
enddo; enddo
! do s = 1,8
! init = corner(:,s)*(res-(/1,1,1/))
! oppo = corner(:,1+mod(s-1+4,8))*(res-(/1,1,1/))
! do o = 1,6
! do k = init(order(3,o)),oppo(order(3,o)),step(order(3,o),s)
! rear(order(2,o)) = init(order(2,o))
! do j = init(order(2,o)),oppo(order(2,o)),step(order(2,o),s)
! rear(order(1,o)) = init(order(1,o))
! do i = init(order(1,o)),oppo(order(1,o)),step(order(1,o),s)
! ! print*, order(:,o)
! me(order(1,o)) = i
! me(order(2,o)) = j
! me(order(3,o)) = k
! ! print*, me
! ! if (all(me == init)) then
! ! coord(:,1+me(1),1+me(2),1+me(3),o,s) = 0.0 !&
! ! geomdimension*(matmul(defgrad_av,real(corner(:,s),pDouble)) + &
! ! matmul(defGrad(:,:,1+me(1),1+me(2),1+me(3)),step(:,s)/res/2.0_pDouble))
! ! else
! ! myStep = (me-rear)*geomdimension/res
! ! coord(:,1+me(1),1+me(2),1+me(3),o,s) = coord(:,1+rear(1),1+rear(2),1+rear(3),o,s) + &
! ! 0.5_pDouble*matmul(defGrad(:,:,1+me(1),1+me(2),1+me(3)) + &
! ! defGrad(:,:,1+rear(1),1+rear(2),1+rear(3)),&
! ! myStep)
! ! endif
! ! rear = me
! enddo
! enddo
! enddo
! enddo ! orders
! ! cornerCoords(:,:,:,:,s) = sum(coord(:,:,:,:,:,s),5)/6.0_pDouble
! enddo ! corners
! coordinates = sum(cornerCoords(:,:,:,:,:),5)/8.0_pDouble ! plain average no shape functions...
end function
! +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
subroutine coordinates5(res_x,res_y,res_z,geomdimension,defgrad)
! +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
implicit none
integer, parameter :: pDouble = selected_real_kind(15,50)
integer i,j,k, l,m, s,o, loop, res_x, res_y, res_z
integer, dimension(3) :: res, init, oppo, me, rear
real*8, dimension(3) :: geomdimension
real*8, dimension(3) :: myStep
real*8, dimension(3,3) :: defGrad_av
integer, dimension(3,8) :: corner = reshape((/ &
0, 0, 0,&
1, 0, 0,&
1, 1, 0,&
0, 1, 0,&
1, 1, 1,&
0, 1, 1,&
0, 0, 1,&
1, 0, 1 &
/), &
(/3,8/))
integer, dimension(3,8) :: step = reshape((/ &
1, 1, 1,&
-1, 1, 1,&
-1,-1, 1,&
1,-1, 1,&
-1,-1,-1,&
1,-1,-1,&
1, 1,-1,&
-1, 1,-1 &
/), &
(/3,8/))
integer, dimension(3,6) :: order = reshape((/ &
1, 2, 3,&
1, 3, 2,&
2, 1, 3,&
2, 3, 1,&
3, 1, 2,&
3, 2, 1 &
/), &
(/3,6/))
real*8 defGrad(3,3,res_x,res_y,res_z)
real*8 coordinates(3,res_x,res_y,res_z)
real*8, dimension(3,res_x,res_y,res_z,8) :: cornerCoords
real*8, dimension(3,2+res_x,2+res_y,2+res_z,6,8) :: coord
!f2py intent(in) res_x, res_y, res_z
!f2py intent(in) geomdimension
!f2py intent(out) coordinates
!f2py intent(in) defgrad
!f2py depend(res_x, res_y, res_z) coordinates
!f2py depend(res_x, res_y, res_z) defgrad
!f2py depend(res_x, res_y, res_z) cornerCoords
!f2py depend(res_x, res_y, res_z) coord
res = (/res_x,res_y,res_z/)
do i=1,3; do j=1,3
defgrad_av(i,j) = sum(defgrad(i,j,:,:,:)) /real(res(1)*res(2)*res(3))
enddo; enddo
print*, 'defgra', defgrad
do s = 1,8
init = corner(:,s)*(res-(/1,1,1/))
oppo = corner(:,1+mod(s-1+4,8))*(res-(/1,1,1/))
do o = 1,6
do k = init(order(3,o)),oppo(order(3,o)),step(order(3,o),s)
rear(order(2,o)) = init(order(2,o))
do j = init(order(2,o)),oppo(order(2,o)),step(order(2,o),s)
rear(order(1,o)) = init(order(1,o))
do i = init(order(1,o)),oppo(order(1,o)),step(order(1,o),s)
me(order(1,o)) = i
me(order(2,o)) = j
me(order(3,o)) = k
if (all(me == init)) then
coord(:,1+me(1),1+me(2),1+me(3),o,s) = &
geomdimension*(matmul(defgrad_av,real(corner(:,s),pDouble)) + &
matmul(defGrad(:,:,1+me(1),1+me(2),1+me(3)),step(:,s)/res/2.0_pDouble))
else
myStep = (me-rear)*geomdimension/res
coord(:,1+me(1),1+me(2),1+me(3),o,s) = coord(:,1+rear(1),1+rear(2),1+rear(3),o,s) + &
0.5_pDouble*matmul(defGrad(:,:,1+me(1),1+me(2),1+me(3)) + &
defGrad(:,:,1+rear(1),1+rear(2),1+rear(3)),&
myStep)
endif
rear = me
enddo
enddo
enddo
enddo ! orders
cornerCoords(:,:,:,:,s) = sum(coord(:,:,:,:,:,s),5)/6.0_pDouble
enddo ! corners
coordinates = sum(cornerCoords(:,:,:,:,:),5)/8.0_pDouble ! plain average no shape functions...
end subroutine
! +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
subroutine mesh(res_x,res_y,res_z,geomdim,defgrad_av,centroids,nodes)
! +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
implicit none
integer, parameter :: pDouble = selected_real_kind(15,50)
integer i,j,k, n
integer res_x, res_y, res_z
integer, dimension(3) :: res, shift, lookup, me
real*8, dimension(3) :: geomdim, diag = (/1,1,1/)
real*8, dimension(3,3) :: defgrad_av
real*8, dimension(3,res_x, res_y, res_z) :: centroids
real*8, dimension(3,res_x+2, res_y+2, res_z+2) :: wrappedCentroids
real*8, dimension(3,res_x+1, res_y+1, res_z+1) :: nodes
integer, dimension(3,8) :: neighbor = reshape((/ &
0, 0, 0,&
1, 0, 0,&
1, 1, 0,&
0, 1, 0,&
0, 0, 1,&
1, 0, 1,&
1, 1, 1,&
0, 1, 1 &
/), &
(/3,8/))
!f2py intent(in) res_x, res_y, res_z
!f2py intent(in) centroids
!f2py intent(in) defgrad_av
!f2py intent(in) geomdim
!f2py intent(out) nodes
!f2py depend(res_x, res_y, res_z) centroids
!f2py depend(res_x, res_y, res_z) nodes
res = (/res_x,res_y,res_z/)
wrappedCentroids(:,2:res(1)+1,2:res(2)+1,2:res(3)+1) = centroids
do k = 0,res(3)+1
do j = 0,res(2)+1
do i = 0,res(1)+1
if (&
k==0 .or. k==res(3)+1 .or. &
j==0 .or. j==res(2)+1 .or. &
i==0 .or. i==res(1)+1 &
) then
me = (/i,j,k/)
shift = (res+diag-2*me)/(res+diag)
lookup = me+shift*res
wrappedCentroids(:,1+i,1+j,1+k) = centroids(:,lookup(1),lookup(2),lookup(3)) - &
matmul(defgrad_av,shift * geomdim)
endif
enddo
enddo
enddo
nodes = 0.0_pDouble
do k = 0,res(3)
do j = 0,res(2)
do i = 0,res(1)
do n = 1,8
nodes(:,1+i,1+j,1+k) = nodes(:,1+i,1+j,1+k) + wrappedCentroids(:,1+i+neighbor(1,n),&
1+j+neighbor(2,n),&
1+k+neighbor(3,n))
enddo
nodes(:,1+i,1+j,1+k) = nodes(:,1+i,1+j,1+k) / 8.0_pDouble
enddo
enddo
enddo
end subroutine mesh
!below some code I used for gmsh postprocessing. Might be helpful
!!gmsh output
! character(len=1024) :: nriter
! character(len=1024) :: nrstep
! character(len=1024) :: nrloadcase
! real(pReal), dimension(:,:,:,:), allocatable :: displacement
! real(pReal), dimension(3,3) :: temp33_Real2
! real(pReal), dimension(3,3,3) :: Eigenvectorbasis
! real(pReal), dimension(3) :: Eigenvalue
! real(pReal) determinant
!!gmsh output
!!Postprocessing (gsmh output)
! do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
! if((k==1).and.(j==1).and.(i==1)) then
! temp33_Real =0.0_pReal
! else
! if((j==1).and.(i==1)) then
! temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,k,:,:),&
! (/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
! temp33_Real(2,:) = temp33_Real(1,:)
! temp33_Real(3,:) = temp33_Real(1,:)
! displacement(i,j,k,:) = temp33_Real(1,:)
! else
! if(i==1) then
! temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,k,:,:),&
! (/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
! temp33_Real(3,:) = temp33_Real(2,:)
! displacement(i,j,k,:) = temp33_Real(2,:)
! else
! temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,k,:,:),&
! (/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
! displacement(i,j,k,:) = temp33_Real(3,:)
! endif
! endif
! endif
! enddo; enddo; enddo
! write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
! open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
! open(588,file = 'logstrain'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
! write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
! write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
! ielem = 0_pInt
! do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
! ielem = ielem + 1
! write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) !for deformed configuration
! write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
!! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
!!write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
! enddo; enddo; enddo
! write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
! write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
! do i = 1, prodnn
! write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
! write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i
! enddo
! write(589, '(A)'), '$EndElements'
! write(588, '(A)'), '$EndElements'
! write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
! trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
! write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('logstrain'//trim(adjustl(nrloadcase))//'-'//&
! trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
! ielem = 0_pInt
! do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
! ielem = ielem + 1
! write(589, '(i10, 9(tr2, E14.8))'), ielem, cstress_field(i,j,k,:,:)
! call math_pDecomposition(defgrad(i,j,k,:,:),temp33_Real2,temp33_Real,errmatinv) !store R in temp33_Real
! call math_invert3x3(temp33_Real, temp33_Real2, determinant, errmatinv) !inverse of R in temp33_Real2
! temp33_Real = math_mul33x33(defgrad(i,j,k,:,:), temp33_Real2) ! v = F o inv(R), store in temp33_Real
! call math_spectral1(temp33_Real,Eigenvalue(1), Eigenvalue(2), Eigenvalue(3),&
! Eigenvectorbasis(1,:,:),Eigenvectorbasis(2,:,:),Eigenvectorbasis(3,:,:))
! eigenvalue = log(sqrt(eigenvalue))
! temp33_Real = eigenvalue(1)*Eigenvectorbasis(1,:,:)+eigenvalue(2)*Eigenvectorbasis(2,:,:)+eigenvalue(3)*Eigenvectorbasis(3,:,:)
! write(588, '(i10, 9(tr2, E14.8))'), ielem, temp33_Real
! enddo; enddo; enddo
! write(589, *), '$EndNodeData'
! write(588, *), '$EndNodeData'
! close(589); close(588); close(540)
! enddo ! end looping over steps in current loadcase
! enddo ! end looping over loadcases
! close(539); close(538)
! +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
function coordinates3(res_x,res_y,res_z,geomdimension,defgrad)
! +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
implicit none
integer i,j,k, l,m, s,o, loop, res_x, res_y, res_z
real*8 defgrad_av(3,3)
real*8 geomdimension(3)
integer res(3)
real*8 defgrad(3,3,res_x,res_y,res_z)
real*8 coordinates3(3,res_x,res_y,res_z)
!f2py intent(in) res_x, res_y, res_z
!f2py depend(res_x, res_y, res_z) coordinates3
!f2py depend(res_x, res_y, res_z) defgrad
!f2py intent(in) geomdimension
!f2py intent(out) coordinates3
!f2py intent(in) defgrad
res = (/res_x,res_y,res_z/)
do i=1,3; do j=1,3
defgrad_av(i,j) = sum(defgrad(i,j,:,:,:)) /real(res(1)*res(2)*res(3))
enddo; enddo
print*, 'defgra', defgrad
coordinates3 = 0.0
end function