Merge branch 'marc-mesh-simplification' of magit1.mpie.de:/damask/DAMASK into marc-mesh-simplification
This commit is contained in:
Martin Diehl
commit
9a9e99739e
140
src/material.f90
140
src/material.f90
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@ -16,6 +16,7 @@ module material
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use debug
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use mesh
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use numerics
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use rotations
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use discretization
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implicit none
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@ -152,7 +153,7 @@ module material
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damageState
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integer, dimension(:,:,:), allocatable, public, protected :: &
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material_texture !< texture (index) of each grain,IP,element. Used only by plastic_nonlocal
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material_texture !< texture (index) of each grain,IP,element. Only used by plastic_nonlocal
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real(pReal), dimension(:,:,:,:), allocatable, public, protected :: &
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material_EulerAngles !< initial orientation of each grain,IP,element
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@ -172,11 +173,8 @@ module material
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microstructure_texture !< texture IDs of each microstructure
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real(pReal), dimension(:,:), allocatable, private :: &
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microstructure_fraction !< vol fraction of each constituent in microstructure
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real(pReal), dimension(:,:,:), allocatable, private :: &
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texture_Gauss, & !< data of each Gauss component
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texture_transformation !< transformation for each texture
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microstructure_fraction !< vol fraction of each constituent in microstructure
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logical, dimension(:), allocatable, private :: &
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homogenization_active
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@ -561,6 +559,8 @@ subroutine material_parseMicrostructure
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call IO_error(153,ext_msg=microstructure_name(m))
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enddo
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call config_deallocate('material.config/microstructure')
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end subroutine material_parseMicrostructure
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@ -707,69 +707,66 @@ end subroutine material_parsePhase
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseTexture
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integer :: section, gauss, j, t, i
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character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
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integer, dimension(:), allocatable :: chunkPos
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integer :: j, t, i
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character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
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integer, dimension(:), allocatable :: chunkPos
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real(pReal), dimension(3,3) :: texture_transformation ! maps texture to microstructure coordinate system
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type(rotation) :: eulers
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do t=1, size(config_texture)
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if (config_texture(t)%countKeys('(gauss)') /= 1) call IO_error(147,ext_msg='count((gauss)) != 1')
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if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
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if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
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if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
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enddo
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do t=1, size(config_texture)
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if (config_texture(t)%countKeys('(gauss)') /= 1) call IO_error(147,ext_msg='count((gauss)) !=1')
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if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
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if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
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if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
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enddo
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allocate(texture_Gauss (3,size(config_texture)), source=0.0_pReal)
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allocate(texture_Gauss (5,1,size(config_texture)), source=0.0_pReal)
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allocate(texture_transformation(3,3,size(config_texture)), source=0.0_pReal)
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texture_transformation = spread(math_I3,3,size(config_texture))
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do t=1, size(config_texture)
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section = t
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gauss = 0
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if (config_texture(t)%keyExists('axes')) then
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strings = config_texture(t)%getStrings('axes')
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do j = 1, 3 ! look for "x", "y", and "z" entries
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select case (strings(j))
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case('x', '+x')
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texture_transformation(j,1:3,t) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis
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case('-x')
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texture_transformation(j,1:3,t) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis
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case('y', '+y')
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texture_transformation(j,1:3,t) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis
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case('-y')
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texture_transformation(j,1:3,t) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis
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case('z', '+z')
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texture_transformation(j,1:3,t) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis
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case('-z')
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texture_transformation(j,1:3,t) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis
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case default
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call IO_error(157,t)
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end select
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enddo
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if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157,t)
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endif
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if (config_texture(t)%keyExists('(gauss)')) then
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gauss = gauss + 1
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strings = config_texture(t)%getStrings('(gauss)',raw= .true.)
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do i = 1 , size(strings)
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chunkPos = IO_stringPos(strings(i))
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do j = 1,9,2
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select case (IO_stringValue(strings(i),chunkPos,j))
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case('phi1')
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texture_Gauss(1,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad
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case('phi')
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texture_Gauss(2,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad
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case('phi2')
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texture_Gauss(3,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad
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end select
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do t=1, size(config_texture)
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strings = config_texture(t)%getStrings('(gauss)',raw= .true.)
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do i = 1 , size(strings)
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chunkPos = IO_stringPos(strings(i))
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do j = 1,9,2
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select case (IO_stringValue(strings(i),chunkPos,j))
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case('phi1')
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texture_Gauss(1,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad
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case('phi')
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texture_Gauss(2,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad
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case('phi2')
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texture_Gauss(3,t) = IO_floatValue(strings(i),chunkPos,j+1)*inRad
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end select
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enddo
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enddo
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endif
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enddo
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call config_deallocate('material.config/texture')
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enddo
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if (config_texture(t)%keyExists('axes')) then
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strings = config_texture(t)%getStrings('axes')
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do j = 1, 3 ! look for "x", "y", and "z" entries
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select case (strings(j))
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case('x', '+x')
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texture_transformation(j,1:3) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis
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case('-x')
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texture_transformation(j,1:3) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis
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case('y', '+y')
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texture_transformation(j,1:3) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis
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case('-y')
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texture_transformation(j,1:3) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis
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case('z', '+z')
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texture_transformation(j,1:3) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis
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case('-z')
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texture_transformation(j,1:3) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis
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case default
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call IO_error(157,t)
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end select
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enddo
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if(dNeq(math_det33(texture_transformation),1.0_pReal)) call IO_error(157,t)
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call eulers%fromEulerAngles(texture_Gauss(:,t))
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texture_Gauss(:,t) = math_RtoEuler(matmul(eulers%asRotationMatrix(),texture_transformation))
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endif
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enddo
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call config_deallocate('material.config/texture')
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end subroutine material_parseTexture
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@ -876,25 +873,16 @@ subroutine material_populateGrains
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homog = discretization_homogenizationAt(e)
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micro = discretization_microstructureAt(e)
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do c = 1, homogenization_Ngrains(homog)
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material_phase(c,i,e) = microstructure_phase(c,micro)
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material_texture(c,i,e) = microstructure_texture(c,micro)
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material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,1,material_texture(c,i,e))
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material_EulerAngles(1:3,c,i,e) = math_RtoEuler( & ! translate back to Euler angles
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matmul( & ! pre-multiply
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math_EulertoR(material_EulerAngles(1:3,c,i,e)), & ! face-value orientation
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texture_transformation(1:3,1:3,material_texture(c,i,e)) & ! and transformation matrix
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) &
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)
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material_phase(c,i,e) = microstructure_phase(c,micro)
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material_texture(c,i,e) = microstructure_texture(c,micro)
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material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,material_texture(c,i,e))
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enddo
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enddo
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enddo
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deallocate(texture_transformation)
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deallocate(microstructure_phase)
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deallocate(microstructure_texture)
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call config_deallocate('material.config/microstructure')
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end subroutine material_populateGrains
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end module material
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@ -872,25 +872,27 @@ subroutine calcCells(thisMesh,elem,connectivity_elem)
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class(tMesh) :: thisMesh
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type(tElement) :: elem
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integer(pInt),dimension(:,:), intent(in) :: connectivity_elem
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integer(pInt),dimension(:,:), allocatable :: con_elem,temp,con,parentsAndWeights,candidates_global
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integer(pInt),dimension(:), allocatable :: l, nodes, candidates_local
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integer(pInt),dimension(:,:,:), allocatable :: con_cell,connectivity_cell
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integer(pInt),dimension(:,:), allocatable :: sorted,test,connectivity_cell_reshape
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integer,dimension(:,:), intent(in) :: connectivity_elem
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integer,dimension(:,:), allocatable :: con_elem,temp,con,parentsAndWeights,candidates_global
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integer,dimension(:), allocatable :: l, nodes, candidates_local
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integer,dimension(:,:,:), allocatable :: con_cell,connectivity_cell
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integer,dimension(:,:), allocatable :: sorted,test,connectivity_cell_reshape
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real(pReal), dimension(:,:), allocatable :: coordinates,nodes5
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integer(pInt) :: e, n, c, p, s,u,i,m,j,nParentNodes,nCellNode,ierr
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integer :: e, n, c, p, s,u,i,m,j,nParentNodes,nCellNode,ierr,Nelem,candidateID
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Nelem = thisMesh%Nelems
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!---------------------------------------------------------------------------------------------------
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! initialize global connectivity to negative local connectivity
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allocate(connectivity_cell(thisMesh%elem%NcellNodesPerCell,thisMesh%elem%nIPs,thisMesh%Nelems))
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connectivity_cell = -spread(thisMesh%elem%cell,3,thisMesh%Nelems) ! local cell node ID
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allocate(connectivity_cell(elem%NcellNodesPerCell,elem%nIPs,Nelem))
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connectivity_cell = -spread(elem%cell,3,Nelem) ! local cell node ID
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!---------------------------------------------------------------------------------------------------
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! set connectivity of cell nodes that conincide with FE nodes (defined by 1 parent node)
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! change to global node ID
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do e = 1, thisMesh%Nelems
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do c = 1, thisMesh%elem%NcellNodes
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realNode: if (count(thisMesh%elem%cellNodeParentNodeWeights(:,c) /= 0_pInt) == 1_pInt) then
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! set connectivity of cell nodes that coincide with FE nodes (defined by 1 parent node)
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! and renumber local (negative) to global (positive) node ID
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do e = 1, Nelem
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do c = 1, elem%NcellNodes
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realNode: if (count(elem%cellNodeParentNodeWeights(:,c) /= 0) == 1) then
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where(connectivity_cell(:,:,e) == -c)
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connectivity_cell(:,:,e) = connectivity_elem(c,e)
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end where
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@ -900,109 +902,114 @@ subroutine calcCells(thisMesh,elem,connectivity_elem)
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nCellNode = thisMesh%nNodes
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do nParentNodes = 2, thisMesh%elem%nNodes
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!---------------------------------------------------------------------------------------------------
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! set connectivity of cell nodes that are defined by 2,...,nNodes real nodes
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do nParentNodes = 2, elem%nNodes
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! get IDs of local cell nodes that are defined by the current number of parent nodes
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candidates_local = [integer(pInt)::]
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do c = 1, thisMesh%elem%NcellNodes
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if (count(thisMesh%elem%cellNodeParentNodeWeights(:,c) /= 0_pInt) == nParentNodes) &
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candidates_local = [candidates_local,c]
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enddo
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s = size(candidates_local)
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if (allocated(candidates_global)) deallocate(candidates_global)
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allocate(candidates_global(nParentNodes*2_pInt+2_pInt,s*thisMesh%Nelems))
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parentsAndWeights = reshape([(0_pInt, i = 1_pInt,2_pInt*nParentNodes)],[nParentNodes,2])
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do e = 1_pInt, thisMesh%Nelems
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do i = 1_pInt, s
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c = candidates_local(i)
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m = 0_pInt
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do p = 1_pInt, size(thisMesh%elem%cellNodeParentNodeWeights(:,c))
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if (thisMesh%elem%cellNodeParentNodeWeights(p,c) /= 0_pInt) then ! real node 'c' partly defines cell node 'n'
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m = m + 1_pInt
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parentsAndWeights(m,1:2) = [connectivity_elem(p,e),thisMesh%elem%cellNodeParentNodeWeights(p,c)]
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endif
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enddo
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! store (and order) real nodes and their weights together with the element number and local ID
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do p = 1_pInt, nParentNodes
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m = maxloc(parentsAndWeights(:,1),1)
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candidates_global(p, (e-1)*s+i) = parentsAndWeights(m,1)
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parentsAndWeights(m,1) = -huge(i) ! out of the competition
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candidates_global(p+nParentNodes,(e-1)*s+i) = parentsAndWeights(m,2)
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candidates_global(nParentNodes*2+1:nParentNodes*2+2,(e-1)*s+i) = [e,c]
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enddo
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enddo
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enddo
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! sort according to real node IDs (from left to right)
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call math_sort(candidates_global,sortDim=1)
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do p = 2, nParentNodes-1 ! why -1?
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n = 1
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do while(n <= s*thisMesh%Nelems)
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j=0
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do while (n+j<= s*thisMesh%Nelems)
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if (candidates_global(p-1,n+j)/=candidates_global(p-1,n)) exit
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j = j + 1
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! get IDs of local cell nodes that are defined by the current number of parent nodes
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candidates_local = [integer::]
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do c = 1, elem%NcellNodes
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if (count(elem%cellNodeParentNodeWeights(:,c) /= 0) == nParentNodes) &
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candidates_local = [candidates_local,c]
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enddo
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s = size(candidates_local)
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if (allocated(candidates_global)) deallocate(candidates_global)
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allocate(candidates_global(nParentNodes*2+2,s*Nelem)) ! stores parent node ID + weight together with element ID and cellnode id (local)
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parentsAndWeights = reshape([(0, i = 1,2*nParentNodes)],[nParentNodes,2]) ! allocate without deallocate
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do e = 1, Nelem
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do i = 1, size(candidates_local)
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candidateID = (e-1)*size(candidates_local)+i ! including duplicates (Nelem*size(candidates_local))
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c = candidates_local(i) ! c is local cellnode ID for connectivity
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p = 0
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do j = 1, size(elem%cellNodeParentNodeWeights(:,c))
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if (elem%cellNodeParentNodeWeights(j,c) /= 0) then ! real node 'j' partly defines cell node 'c'
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p = p + 1
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parentsAndWeights(p,1:2) = [connectivity_elem(j,e),elem%cellNodeParentNodeWeights(j,c)]
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endif
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enddo
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! store (and order) real node IDs and their weights together with the element number and local ID
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do p = 1, nParentNodes
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m = maxloc(parentsAndWeights(:,1),1)
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candidates_global(p, candidateID) = parentsAndWeights(m,1)
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candidates_global(p+nParentNodes, candidateID) = parentsAndWeights(m,2)
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candidates_global(nParentNodes*2+1:nParentNodes*2+2,candidateID) = [e,c]
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parentsAndWeights(m,1) = -huge(parentsAndWeights(m,1)) ! out of the competition
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enddo
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enddo
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e = n+j-1
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if (any(candidates_global(p,n:e)/=candidates_global(p,n))) &
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call math_sort(candidates_global(:,n:e),sortDim=p)
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n = e+1
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enddo
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enddo
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! find duplicates (trivial for sorted IDs)
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i = 0
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n = 1
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do while(n <= s*thisMesh%Nelems)
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enddo
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! sort according to real node IDs + weight (from left to right)
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call math_sort(candidates_global,sortDim=1) ! sort according to first column
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do p = 2, nParentNodes*2
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n = 1
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do while(n <= size(candidates_local)*Nelem)
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j=0
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do while (n+j<= size(candidates_local)*Nelem)
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if (candidates_global(p-1,n+j)/=candidates_global(p-1,n)) exit
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j = j + 1
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enddo
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e = n+j-1
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if (any(candidates_global(p,n:e)/=candidates_global(p,n))) &
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call math_sort(candidates_global(:,n:e),sortDim=p)
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n = e+1
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enddo
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enddo
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! count unique cell nodes (trivial for sorted IDs + weights)
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i = 0 ! counts unique cell nodes (defined by current number of parents)
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n = 1
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do while(n <= size(candidates_local)*Nelem)
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j=0
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do while (n+j<= s*thisMesh%Nelems)
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do while (n+j<= size(candidates_local)*Nelem)
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if (any(candidates_global(1:2*nParentNodes,n+j)/=candidates_global(1:2*nParentNodes,n))) exit
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j = j + 1
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enddo
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i=i+1
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i = i+1
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n = n+j
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enddo
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! calculate coordinates of cell nodes and insert their ID into the cell conectivity
|
||||
coordinates = reshape([(0.0_pReal,j = 1, 3*i)], [3,i])
|
||||
|
||||
i = 1
|
||||
n = 1
|
||||
do while(n <= size(candidates_local)*Nelem)
|
||||
j=0
|
||||
parentsAndWeights(:,1) = candidates_global(1:nParentNodes,n+j)
|
||||
parentsAndWeights(:,2) = candidates_global(nParentNodes+1:nParentNodes*2,n+j)
|
||||
e = candidates_global(nParentNodes*2+1,n+j)
|
||||
c = candidates_global(nParentNodes*2+2,n+j)
|
||||
do m = 1, nParentNodes
|
||||
coordinates(:,i) = coordinates(:,i) &
|
||||
+ thisMesh%node_0(:,parentsAndWeights(m,1)) * real(parentsAndWeights(m,2),pReal)
|
||||
enddo
|
||||
|
||||
p = i ! ToDo: Hack
|
||||
|
||||
! calculate coordinates of cell nodes and insert their ID into the cell conectivity
|
||||
coordinates = reshape([(0.0_pReal,i = 1, 3*s*thisMesh%Nelems)], [3,i])
|
||||
|
||||
i = 0
|
||||
n = 1
|
||||
do while(n <= s*thisMesh%Nelems)
|
||||
j=0
|
||||
parentsAndWeights(:,1) = candidates_global(1:nParentNodes,n+j)
|
||||
parentsAndWeights(:,2) = candidates_global(nParentNodes+1:nParentNodes*2,n+j)
|
||||
e = candidates_global(nParentNodes*2+1,n+j)
|
||||
c = candidates_global(nParentNodes*2+2,n+j)
|
||||
do m = 1, nParentNodes
|
||||
coordinates(:,i+1) = coordinates(:,i+1) &
|
||||
+ thisMesh%node_0(:,parentsAndWeights(m,1)) * real(parentsAndWeights(m,2),pReal)
|
||||
enddo
|
||||
coordinates(:,i+1) = coordinates(:,i+1)/real(sum(parentsAndWeights(:,2)),pReal)
|
||||
|
||||
do while (n+j<= s*thisMesh%Nelems)
|
||||
if (any(candidates_global(1:2*nParentNodes,n+j)/=candidates_global(1:2*nParentNodes,n))) exit
|
||||
where (connectivity_cell(:,:,candidates_global(nParentNodes*2+1,n+j)) == -candidates_global(nParentNodes*2+2,n+j))
|
||||
connectivity_cell(:,:,candidates_global(nParentNodes*2+1,n+j)) = i+1+nCellNode
|
||||
end where
|
||||
|
||||
j = j + 1
|
||||
enddo
|
||||
i=i+1
|
||||
n = n+j
|
||||
coordinates(:,i) = coordinates(:,i)/real(sum(parentsAndWeights(:,2)),pReal)
|
||||
|
||||
do while (n+j<= size(candidates_local)*Nelem)
|
||||
if (any(candidates_global(1:2*nParentNodes,n+j)/=candidates_global(1:2*nParentNodes,n))) exit
|
||||
where (connectivity_cell(:,:,candidates_global(nParentNodes*2+1,n+j)) == -candidates_global(nParentNodes*2+2,n+j)) ! still locally defined
|
||||
connectivity_cell(:,:,candidates_global(nParentNodes*2+1,n+j)) = nCellNode + i ! gets current new cell node id
|
||||
end where
|
||||
|
||||
j = j + 1
|
||||
enddo
|
||||
nCellNode = nCellNode + p
|
||||
if (p/=0) nodes5 = reshape([nodes5,coordinates],[3,nCellNode])
|
||||
enddo
|
||||
thisMesh%node_0 = nodes5
|
||||
mesh_cell2 = connectivity_cell
|
||||
connectivity_cell_reshape = reshape(connectivity_cell,[thisMesh%elem%NcellNodesPerCell,thisMesh%elem%nIPs*thisMesh%Nelems])
|
||||
i=i+1
|
||||
n = n+j
|
||||
|
||||
enddo
|
||||
nCellNode = nCellNode + i
|
||||
if (i/=0) nodes5 = reshape([nodes5,coordinates],[3,nCellNode])
|
||||
enddo
|
||||
thisMesh%node_0 = nodes5
|
||||
mesh_cell2 = connectivity_cell
|
||||
connectivity_cell_reshape = reshape(connectivity_cell,[elem%NcellNodesPerCell,elem%nIPs*thisMesh%Nelems])
|
||||
|
||||
#if defined(DAMASK_HDF5)
|
||||
call results_openJobFile
|
||||
|
|
|
|||
|
|
@ -65,6 +65,7 @@ module rotations
|
|||
procedure, public :: asRotationMatrix
|
||||
!------------------------------------------
|
||||
procedure, public :: fromRotationMatrix
|
||||
procedure, public :: fromEulerAngles
|
||||
!------------------------------------------
|
||||
procedure, public :: rotVector
|
||||
procedure, public :: rotTensor
|
||||
|
|
@ -143,7 +144,16 @@ subroutine fromRotationMatrix(self,om)
|
|||
self%q = om2qu(om)
|
||||
|
||||
end subroutine
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
subroutine fromEulerAngles(self,eu)
|
||||
|
||||
class(rotation), intent(out) :: self
|
||||
real(pReal), dimension(3), intent(in) :: eu
|
||||
|
||||
self%q = eu2qu(eu)
|
||||
|
||||
end subroutine
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
!> @author Marc De Graef, Carnegie Mellon University
|
||||
|
|
|
|||
Loading…
Reference in New Issue