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DAMASK_EICMD
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DAMASK_EICMD/processing/post/reconstruct.f90

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added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
! -*- f90 -*-
subroutine simple(defgrad,res_x,res_y,res_z,geomdimension,current_configuration)
implicit none
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
integer, parameter :: pDouble = selected_real_kind(15,50)
integer i,j,k
integer res_x, res_y, res_z
integer, dimension(3) :: resolution
real*8, dimension(3) :: geomdimension
real*8, dimension(3,3) :: temp33_Real
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
real*8 current_configuration(res_x, res_y, res_z,3)
real*8 defgrad(res_x, res_y, res_z,3,3)
!f2py intent(in) res_x, res_y, res_z
!f2py intent(in) geomdimension
!f2py intent(out) current_configuration
!f2py intent(in) defgrad
!f2py depend(res_x, res_y, res_z) current_configuration
!f2py depend(res_x, res_y, res_z) defgrad
resolution(1) = res_x; resolution(2) = res_y; resolution(3) = res_z
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
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
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
temp33_Real =0.0_pDouble
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
else
if((j==1).and.(i==1)) then
temp33_Real(1,:) = temp33_Real(1,:) + matmul(defgrad(i,j,k,:,:),&
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
(/0.0_pDouble,0.0_pDouble,geomdimension(3)/(real(resolution(3)))/))
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
temp33_Real(2,:) = temp33_Real(1,:)
temp33_Real(3,:) = temp33_Real(1,:)
current_configuration(i,j,k,:) = temp33_Real(1,:)
else
if(i==1) then
temp33_Real(2,:) = temp33_Real(2,:) + matmul(defgrad(i,j,k,:,:),&
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
(/0.0_pDouble,geomdimension(2)/(real(resolution(2))),0.0_pDouble/))
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
temp33_Real(3,:) = temp33_Real(2,:)
current_configuration(i,j,k,:) = temp33_Real(2,:)
else
temp33_Real(3,:) = temp33_Real(3,:) + matmul(defgrad(i,j,k,:,:),&
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
(/geomdimension(1)/(real(resolution(1))),0.0_pDouble,0.0_pDouble/))
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
current_configuration(i,j,k,:) = temp33_Real(3,:)
endif
endif
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
endif
!print*, current_configuration
added files for geometry reconstruction from given deformation gradient. reconstruct.f90 is a fortran source file with comments to use with f2py reconstruct.pyd is the compiled python module test.py is a test file to check if the reconstruction works (unfortunately i does not at the moment, probably because there are type conflicts between fortran and python)
2010-12-22 16:29:54 +05:30
enddo; enddo; enddo
end subroutine simple
changed tools for voronoi tessellation to match new specification (file extension and resolution). Also renamed the files, because the space characters cause trouble improved reconstruct.f90 and spectral_post.py, both files work now under linux added make_reconstruct.py, small shell script for using f2py
2011-01-07 20:07:05 +05:30
subroutine advanced(defgrad,res_x,res_y,res_z,geomdimension,current_configuration)
implicit none
integer, parameter :: pDouble = selected_real_kind(15,50)
integer i,j,k,l
integer a,b,c
integer res_x, res_y, res_z
integer, dimension(3) :: resolution
real*8, dimension(3) :: geomdimension
real*8, dimension(3,3) :: temp33_Real, defgrad_av !matrix, stores 3 times a 3dim position vector
real*8 current_configuration(res_x, res_y, res_z,3)
real*8 defgrad(res_x, res_y, res_z,3,3)
! some declarations for the wrapping to python
!f2py intent(in) res_x, res_y, res_z
!f2py intent(in) geomdimension
!f2py intent(out) current_configuration
!f2py intent(in) defgrad
!f2py depend(res_x, res_y, res_z) current_configuration
!f2py depend(res_x, res_y, res_z) 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
current_configuration(i,j,k,:) = 0.0_pDouble
do l=1,6 ! do 6 different paths, by using 3 'master edges'
select case(l)
case (1)
a = 1; b = 2; c = 3
case (2)
a = 1; b = 3; c = 2
case (3)
a = 2; b = 1; c = 3
case (4)
a = 2; b = 3; c = 1
case (5)
a = 3; b = 1; c = 2
case (6)
a = 3; b = 2; c = 1
end select
resolution(a) = res_x; resolution(b) = res_y; resolution(c) = res_z
do k = 1, resolution(c); do j = 1, resolution(b); do i = 1, resolution(a)
if((k==1).and.(j==1).and.(i==1)) then ! first FP
temp33_Real = 0.0_pDouble ! all positions set to zero
else
if((j==1).and.(i==1)) then ! all FPs on the 'master edge'
temp33_Real(1,:) = temp33_Real(1,:) + matmul((defgrad(i,j,k-1,:,:)+defgrad(i,j,k-1,:,:))/2.0_pDouble,& !using the average defgrad of the current step
(/0.0_pDouble,0.0_pDouble,geomdimension(c)/(real(resolution(c)))/))
temp33_Real(2,:) = temp33_Real(1,:)
temp33_Real(3,:) = temp33_Real(1,:)
current_configuration(i,j,k,:) = current_configuration(i,j,k,:) + temp33_Real(1,:)
else
if(i==1) then
temp33_Real(2,:) = temp33_Real(2,:) + matmul((defgrad(i,j-1,k,:,:)+defgrad(i,j,k,:,:))/2.0_pDouble,&
(/0.0_pDouble,geomdimension(b)/(real(resolution(b))),0.0_pDouble/))
temp33_Real(3,:) = temp33_Real(2,:)
current_configuration(i,j,k,:) = current_configuration(i,j,k,:) + temp33_Real(2,:)
else
temp33_Real(3,:) = temp33_Real(3,:) + matmul((defgrad(i-1,j,k,:,:)+defgrad(i,j,k,:,:))/2.0_pDouble,&
(/geomdimension(a)/(real(resolution(a))),0.0_pDouble,0.0_pDouble/))
current_configuration(i,j,k,:) = current_configuration(i,j,k,:) + temp33_Real(3,:)
endif
endif
endif
enddo; enddo; enddo ! end of one reconstruction
enddo ! end of 6 reconstructions with different pathes
current_configuration = current_configuration/6.0_pDouble
end subroutine advanced
subroutine mesh(inter,res_x,res_y,res_z,gdim,meshgeom)
implicit none
integer, parameter :: pDouble = selected_real_kind(15,50)
integer i,j,k
integer res_x, res_y, res_z
integer, dimension(3) :: resolution
real*8, dimension(3) :: gdim
real*8 inter(res_x, res_y, res_z,3)
real*8 configuration(res_x+2, res_y+2, res_z+2,3)
real*8 meshgeom(res_x+1, res_y+1, res_z+1,3)
!f2py intent(in) res_x, res_y, res_z
!f2py intent(in) inter
!f2py intent(out) meshgeom
!f2py intent(in) gdim
!f2py depend(res_x, res_y, res_z) inter
!f2py depend(res_x, res_y, res_z) meshgeom
meshgeom = 0.0_pDouble
configuration = 0.0_pDouble
resolution(1) = res_x; resolution(2) = res_y; resolution(3) = res_z
do k = 1, resolution(3)+1; do j = 1, resolution(2)+1; do i = 1, resolution(1)+1
if((i==1).and.(j==1).and.(k==1)) then
configuration(i,j,k,:)=inter(res_x,res_y,res_z,:)-gdim
configuration(res_x+2,j,k,:)=inter(i,res_y,res_z,:)+(/1.0,-1.0,-1.0/)*gdim
configuration(i,res_y+2,k,:)=inter(res_x,j,res_z,:)+(/-1.0,1.0,-1.0/)*gdim
configuration(i,j,res_z+2,:)=inter(res_x,res_y,k,:)+(/-1.0,-1.0,1.0/)*gdim
configuration(res_x+2,res_y+2,k,:)=inter(i,j,res_z,:)+(/1.0,1.0,-1.0/)*gdim
configuration(i,res_y+2,res_z+2,:)=inter(res_x,j,k,:)+(/-1.0,1.0,1.0/)*gdim
configuration(res_x+2,j,res_z+2,:)=inter(i,res_y,k,:)+(/1.0,-1.0,1.0/)*gdim
configuration(res_x+2,res_y+2,res_z+2,:)=inter(i,j,k,:)+gdim
endif
if((i==1).and.(j==1).and.(k/=1)) then
configuration(1,1,k,:)=inter(res_x,res_y,k-1,:)+(/-1.0,-1.0,0.0/)*gdim
configuration(res_x+2,1,k,:)=inter(1,res_y,k-1,:)+(/1.0,-1.0,0.0/)*gdim
configuration(1,res_y+2,k,:)=inter(res_x,1,k-1,:)+(/-1.0,1.0,0.0/)*gdim
configuration(res_x+2,res_y+2,k,:)=inter(1,1,k-1,:)+(/1.0,1.0,0.0/)*gdim
endif
if((i==1).and.(j/=1).and.(k==1)) then
configuration(1,j,1,:)=inter(res_x,j-1,res_z,:)+(/-1.0,0.0,-1.0/)*gdim
configuration(res_x+2,j,1,:)=inter(1,j-1,res_z,:)+(/1.0,0.0,-1.0/)*gdim
configuration(1,j,res_z+2,:)=inter(res_x,j-1,1,:)+(/-1.0,0.0,1.0/)*gdim
configuration(res_x+2,j,res_z+2,:)=inter(1,j-1,1,:)+(/1.0,0.0,1.0/)*gdim
endif
if((i/=1).and.(j==1).and.(k==1)) then
configuration(i,1,1,:)=inter(i-1,res_y,res_z,:)+(/0.0,-1.0,-1.0/)*gdim
configuration(i,1,res_z+2,:)=inter(i-1,res_y,1,:)+(/0.0,-1.0,1.0/)*gdim
configuration(i,res_y+2,1,:)=inter(i-1,1,res_z,:)+(/0.0,1.0,-1.0/)*gdim
configuration(i,res_y+2,res_z+2,:)=inter(i-1,1,1,:)+(/0.0,1.0,1.0/)*gdim
endif
if((i/=1).and.(j/=1).and.(k==1)) then
configuration(i,j,1,:)=inter(i-1,j-1,res_z,:)+(/0.0,0.0,-1.0/)*gdim
configuration(i,j,res_z+2,:)=inter(i-1,j-1,1,:)+(/0.0,0.0,1.0/)*gdim
endif
if((i==1).and.(j/=1).and.(k/=1)) then
configuration(1,j,k,:)=inter(res_x,j-1,k-1,:)+(/-1.0,0.0,0.0/)*gdim
configuration(res_x+2,j,k,:)=inter(i,j-1,k-1,:)+(/1.0,0.0,0.0/)*gdim
endif
if((i/=1).and.(j==1).and.(k/=1)) then
configuration(i,1,k,:)=inter(i-1,res_y,k-1,:)+(/0.0,-1.0,0.0/)*gdim
configuration(i,res_y+2,k,:)=inter(i-1,1,k-1,:)+(/0.0,1.0,0.0/)*gdim
endif
if((i/=1).and.(j/=1).and.(k/=1)) then
configuration(i,j,k,:)=inter(i-1,j-1,k-1,:)
endif
enddo; enddo; enddo
do k = 1, resolution(3)+1; do j = 1, resolution(2)+1; do i = 1, resolution(1)+1
meshgeom(i,j,k,:)=((configuration(i,j,k,:) +configuration(i+1,j,k,:))&
+(configuration(i,j+1,k,:) +configuration(i,j,k+1,:))&
+(configuration(i+1,j+1,k,:) +configuration(i,j+1,k+1,:))&
+(configuration(i+1,j,k+1,:) +configuration(i+1,j+1,k+1,:)))/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)