DAMASK_EICMD/processing/pre/voronoi fast.f90

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8.3 KiB
Fortran
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program voronoi
use prec, only: pReal, pInt
implicit none
logical, dimension(:), allocatable :: seedmap
character(len=1024) name, format, format2, N_Digits
character choice
integer(pInt) a, b, c, ab, abc, abc_Red, N_Seeds, seedPoint, minDistance, myDistance, i, j, k, l, m
integer(pInt), dimension(:), allocatable :: seeds, grainMap, visual_Case
integer(pInt) coordinates(3)
real(pReal), dimension(:), allocatable :: grainEuler
real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
real(pReal) randomSeed
print*, '******************************************************************************'
print*, ' Spectral Method Problem Set-up'
print*, '******************************************************************************'
print*, ''
print*, 'generates:'
print*, ' * mesh file "_GIVEN_NAME_.mesh": Geometrical information for solver'
print*, ' * material file "material.config": Orientation information for solver'
print*, ' * "_GIVEN_NAME_.spectral": combined information for solver'
print*, 'optional output:'
print*, ' * view file "_GIVEN_NAME_2D.msh": Information for visualization in gmsh'
print*, ' * view file "_GIVEN_NAME_3D.msh": Information for visualization in gmsh'
print*, ''
print*, 'hints:'
print*, ' * a+b+c should not exeed 30'
print*, ' * file extension is added to given name'
print*, ''
write(*, '(A)', advance = 'NO') 'Please enter value for a: '
read(*, *), a
write(*, '(A)', advance = 'NO') 'Please enter value for b: '
read(*, *), b
write(*, '(A)', advance = 'NO') 'Please enter value for c: '
read(*, *), c
write(*, '(A)', advance = 'NO') 'Please enter No. of Grains: '
read(*, *), N_Seeds
write(*, '(A)', advance = 'NO') 'Please enter name of mesh file: '
read(*, *), name
write(*, '(A)', advance = 'NO') 'Should the visualization files be generated (y/n)? '
read(*, *), choice
! calculate No. of digits needed for name of the grains
i = 1 + int( log10(real( N_Seeds )))
write(N_Digits, *) i
N_Digits = adjustl( N_Digits )
allocate(grainEuler(3*N_Seeds))
!write material.config header and add a microstructure entry for every grain
open(20, file = trim(name)//('_material.config'))
write(20, '(A)'), '<microstructure>'
format = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
format2 = '(A, I'//trim(N_Digits)//', A)'
do i = 1, N_Seeds
write(20, trim(format)), '[Grain', i, ']'
write(20, '(A)'), 'crystallite 1'
write(20, trim(format2)), '(constituent) phase 1 texture ', i, ' fraction 1.0'
end do
! get random euler angles for every grain, store them in grainEuler and write them to the material.config file
format2 = '(A, F10.6, A, F10.6, A, F10.6, A)'
write(20, '(/, A)'), '<texture>'
do i = 1, N_Seeds
call random_number(grainEuler(i*3 -2))
call random_number(grainEuler(i*3 -1))
call random_number(grainEuler(i*3 -0))
grainEuler(i*3 -2) = (grainEuler(i*3 -2))*360
grainEuler(i*3 -1) = acos(2.0_pReal*(grainEuler(i*3 -1))-1.0_pReal)*180/pi
grainEuler(i*3 -0) = grainEuler(i*3)*360
write(20, trim(format)), '[Grain', i, ']'
write(20, trim(format2)), '(gauss) phi1 ', grainEuler(i*3-2), ' Phi ', grainEuler(i*3-1), &
&' Phi2 ', grainEuler(i*3), ' scatter 0 fraction 1'
end do
close(20)
print*, ''
print*, 'material config file is written out'
!write header of mesh file, should be done before the following change of variables
open(20, file = ((trim(name))//'.mesh'))
write(20, '(A, I2, A, I2, A, I2)'), 'resolution a ', 2**a, ' b ', 2**b, ' c ', 2**c
write(20, '(A, I4, A, I4, A, I4)'), 'dimension x ', 2**a, ' y ', 2**b, ' z ', 2**c
write(20, '(A)'), 'homogenization 1'
!initialize varibles, change values of some numbers for faster execution
a = 2**a
b = 2**b
c = 2**c
ab = a * b
abc = a * b * c
abc_Red = abc -(a-1)*(b-1)*(c-1)
format = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'
allocate (seedmap(abc)); seedmap = .false.
allocate (seeds(3*N_Seeds))
allocate (grainMap(abc))
allocate (visual_Case(abc_Red))
k = 1
!build array with x-y-z-coordinates of each point
do i = 1, abc
coordinates(1) = mod((i-1), a) +1
coordinates(2) = mod(((i-1)/a), b) +1
coordinates(3) = mod(((i-1)/(ab)), c) +1
if((coordinates(3) == 1)) then
visual_Case(k) = i
k = k +1
else
if((coordinates(2) == 1)) then
visual_Case(k) = i
k = k +1
else
if((coordinates(1) == 1)) then
visual_Case(k) = i
k = k +1
else
end if
end if
end if
end do
!generate random position of seeds for voronoi tessellation
i = 0
do while (i /= N_Seeds)
call random_number(randomSeed)
seedpoint = int(randomSeed*(abc))
if (.not.seedmap(seedpoint+1)) then
seedmap(seedpoint+1) = .true.
seeds(i*3+1) = (mod((seedpoint), a)+1)
seeds(i*3+2) = (mod(((seedpoint)/a), b)+1)
seeds(i*3+3) = (mod(((seedpoint)/(ab)), c)+1)
i = i +1
else
end if
end do
! perform voronoi tessellation and write result to file and to grainMap
do i = 1, abc
minDistance = a*a+b*b+c*c
do j = 1, N_Seeds
do k = -1, 1
do l = -1, 1
do m = -1, 1
myDistance = ((mod((i-1), a) +1-seeds(j*3-2)+m*a)**2+&
(mod(((i-1)/a), b) +1-seeds(j*3-1)+l*b)**2+&
(mod(((i-1)/(ab)), c) +1-seeds(j*3-0)+k*c)**2)
if (myDistance < minDistance) then
minDistance = myDistance
grainMap(i) = j
end if
end do
end do
end do
end do
write(20, format), grainMap(i)
end do
close(20)
print*, 'voronoi tesselation finished'
open(20, file = ((trim(name))//'.spectral'))
format = '(tr2, f6.2, tr2, f6.2, tr2, f6.2, I10, I10, I10, I10, a)'
do i = 1, abc
j = grainMap(i)
write(20, trim(format)), grainEuler(j*3-2), grainEuler(j*3-1), grainEuler(j*3), &
&mod((i-1), a)+1, mod(((i-1)/a), b)+1, mod(((i-1)/(ab)), c)+1, &
&j, ' 1'
end do
print*, 'mesh files are written out'
!write visualization files (in case wanted)
if (choice == 'y' .or. choice == 'Y') then
print*, 'for more information on gmsh: http://geuz.org/gmsh/'
! write full mesh out
open(20, file = ((trim(name))//'_3D.msh'))
write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', abc_Red
do j = 1, abc_Red
i = visual_Case(j)
write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
end do
write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', abc_Red
do j = 1, abc_Red
i = visual_case(j)
write(20, '(I10, A, I10, A, I10)'), i, ' 15 2', grainMap(i), ' 2', i
end do
write(20, '(A)'), '$EndElements'
write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', '1', &
&'0.0', '3', '0', '1', abc_Red
do j = 1, abc_Red
i = visual_case(j)
write(20, '(I10, tr2, I10)'), i, grainMap(i)
end do
write(20, *), '$EndNodeData'
close(20)
! write 2d mesh out
open(20, file = ((trim(name))//'_2D.msh'))
write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', ab
do i = 1, ab
write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
end do
write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', ab
do j = 1, ab
write(20, '(I10, A, I10, A, I10)'), j, ' 15 2', grainMap(j), ' 2', j
end do
write(20, '(A)'), '$EndElements'
write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', &
&'1', '0.0', '3', '0', '1', ab
do j = 1, ab
write(20, '(I10, tr2, I10)'), j, grainMap(j)
end do
write(20, *), '$EndNodeData'
close(20)
print*, 'visualization files are written out'
else
end if
end program voronoi