diff --git a/lib/damask/util.py b/lib/damask/util.py index 244aaa25c..81eb30713 100644 --- a/lib/damask/util.py +++ b/lib/damask/util.py @@ -451,3 +451,93 @@ def curve_fit_bound(f, xdata, ydata, p0=None, sigma=None, bounds=None, **kw): pcov = np.inf return (popt, pcov, infodict, errmsg, ier) if return_full else (popt, pcov) + + +!-------------------------------------------------------------------------------------------------- +!> @brief builds mesh of (distorted) cubes for given coordinates (= center of the cubes) +!-------------------------------------------------------------------------------------------------- +function mesh_nodesAroundCentres(gDim,Favg,centres) result(nodes) + use debug, only: & + debug_mesh, & + debug_level, & + debug_levelBasic + use math, only: & + math_mul33x3 + + implicit none + real(pReal), intent(in), dimension(:,:,:,:) :: & + centres + real(pReal), dimension(3,size(centres,2)+1,size(centres,3)+1,size(centres,4)+1) :: & + nodes + real(pReal), intent(in), dimension(3) :: & + gDim + real(pReal), intent(in), dimension(3,3) :: & + Favg + real(pReal), dimension(3,size(centres,2)+2,size(centres,3)+2,size(centres,4)+2) :: & + wrappedCentres + + integer(pInt) :: & + i,j,k,n + integer(pInt), dimension(3), parameter :: & + diag = 1_pInt + integer(pInt), dimension(3) :: & + shift = 0_pInt, & + lookup = 0_pInt, & + me = 0_pInt, & + iRes = 0_pInt + integer(pInt), dimension(3,8) :: & + neighbor = reshape([ & + 0_pInt, 0_pInt, 0_pInt, & + 1_pInt, 0_pInt, 0_pInt, & + 1_pInt, 1_pInt, 0_pInt, & + 0_pInt, 1_pInt, 0_pInt, & + 0_pInt, 0_pInt, 1_pInt, & + 1_pInt, 0_pInt, 1_pInt, & + 1_pInt, 1_pInt, 1_pInt, & + 0_pInt, 1_pInt, 1_pInt ], [3,8]) + +!-------------------------------------------------------------------------------------------------- +! initializing variables + iRes = [size(centres,2),size(centres,3),size(centres,4)] + nodes = 0.0_pReal + wrappedCentres = 0.0_pReal + +!-------------------------------------------------------------------------------------------------- +! report + if (iand(debug_level(debug_mesh),debug_levelBasic) /= 0_pInt) then + write(6,'(a)') ' Meshing cubes around centroids' + write(6,'(a,3(e12.5))') ' Dimension: ', gDim + write(6,'(a,3(i5))') ' Resolution:', iRes + endif + +!-------------------------------------------------------------------------------------------------- +! building wrappedCentres = centroids + ghosts + wrappedCentres(1:3,2_pInt:iRes(1)+1_pInt,2_pInt:iRes(2)+1_pInt,2_pInt:iRes(3)+1_pInt) = centres + do k = 0_pInt,iRes(3)+1_pInt + do j = 0_pInt,iRes(2)+1_pInt + do i = 0_pInt,iRes(1)+1_pInt + if (k==0_pInt .or. k==iRes(3)+1_pInt .or. & ! z skin + j==0_pInt .or. j==iRes(2)+1_pInt .or. & ! y skin + i==0_pInt .or. i==iRes(1)+1_pInt ) then ! x skin + me = [i,j,k] ! me on skin + shift = sign(abs(iRes+diag-2_pInt*me)/(iRes+diag),iRes+diag-2_pInt*me) + lookup = me-diag+shift*iRes + wrappedCentres(1:3,i+1_pInt, j+1_pInt, k+1_pInt) = & + centres(1:3,lookup(1)+1_pInt,lookup(2)+1_pInt,lookup(3)+1_pInt) - & + math_mul33x3(Favg, shift*gDim) + endif + enddo; enddo; enddo + +!-------------------------------------------------------------------------------------------------- +! averaging + do k = 0_pInt,iRes(3); do j = 0_pInt,iRes(2); do i = 0_pInt,iRes(1) + do n = 1_pInt,8_pInt + nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) = & + nodes(1:3,i+1_pInt,j+1_pInt,k+1_pInt) + wrappedCentres(1:3,i+1_pInt+neighbor(1,n), & + j+1_pInt+neighbor(2,n), & + k+1_pInt+neighbor(3,n) ) + enddo + enddo; enddo; enddo + nodes = nodes/8.0_pReal + +end function mesh_nodesAroundCentres