SUBROUTINE defcube(alfa,npoints,nplanes,polypoints,poi2poi,
& poi2plane,
& polyplaneA3,polyplaneB3,polyplaneC3,polyplaneD3)
implicit none
c#@# KKRtags: VORONOI geometry
integer npoimax,nneimax,nplanemax
parameter (npoimax=300,nneimax=100,nplanemax=100)
c
real*8 polypoints(3,npoimax)
real*8 polyplaneA3(nplanemax),polyplaneB3(nplanemax),
& polyplaneC3(nplanemax),polyplaneD3(nplanemax)
integer poi2poi(0:nneimax,npoimax),
& poi2plane(0:nplanemax,npoimax)
integer npoints,nplanes
real*8 alfa
c local
integer ipoint1,i,iplane
real*8 ao2
c
c This just defines all arrays for a cube of edge alfa
c
c Initialize added on 26.11.2001
do ipoint1=0,nneimax
do i=1,npoimax
poi2poi(ipoint1,i) = 0
end do
end do
do ipoint1=0,nplanemax
do i=1,npoimax
poi2plane(ipoint1,i) = 0
end do
end do
c added on 26.11.2001
do ipoint1=1,npoimax
do i=1,3
polypoints(i,ipoint1) = 0.d0
end do
end do
npoints = 8
ao2 = alfa/2.d0
polypoints(1,1) = ao2
polypoints(2,1) = ao2
polypoints(3,1) = ao2
c
polypoints(1,2) = ao2
polypoints(2,2) = -ao2
polypoints(3,2) = ao2
c
polypoints(1,3) = -ao2
polypoints(2,3) = -ao2
polypoints(3,3) = ao2
c
polypoints(1,4) = -ao2
polypoints(2,4) = ao2
polypoints(3,4) = ao2
c
polypoints(1,5) = ao2
polypoints(2,5) = ao2
polypoints(3,5) = -ao2
c
polypoints(1,6) = ao2
polypoints(2,6) = -ao2
polypoints(3,6) = -ao2
c
polypoints(1,7) = -ao2
polypoints(2,7) = -ao2
polypoints(3,7) = -ao2
c
polypoints(1,8) = -ao2
polypoints(2,8) = ao2
polypoints(3,8) = -ao2
c ************************************************
poi2poi(0,1) = 3 ! number of neighbors of point 1
poi2poi(1,1) = 2 ! point indeces
poi2poi(2,1) = 4
poi2poi(3,1) = 5
poi2plane(0,1) = 3 ! number of planes passing from point 1
poi2plane(1,1) = 1 ! plane indeces
poi2plane(2,1) = 3
poi2plane(3,1) = 5
c
poi2poi(0,2) = 3 ! number of neighbors of point
poi2poi(1,2) = 1 ! point indeces
poi2poi(2,2) = 3
poi2poi(3,2) = 6
poi2plane(0,2) = 3 ! number of planes passing from point
poi2plane(1,2) = 1 ! plane indeces
poi2plane(2,2) = 4
poi2plane(3,2) = 5
c
poi2poi(0,3) = 3 ! number of neighbors of point
poi2poi(1,3) = 2 ! point indeces
poi2poi(2,3) = 4
poi2poi(3,3) = 7
poi2plane(0,3) = 3 ! number of planes passing from point
poi2plane(1,3) = 2 ! plane indeces
poi2plane(2,3) = 4
poi2plane(3,3) = 5
c
poi2poi(0,4) = 3 ! number of neighbors of point
poi2poi(1,4) = 1 ! point indeces
poi2poi(2,4) = 3
poi2poi(3,4) = 8
poi2plane(0,4) = 3 ! number of planes passing from point
poi2plane(1,4) = 2 ! plane indeces
poi2plane(2,4) = 3
poi2plane(3,4) = 5
c
poi2poi(0,5) = 3 ! number of neighbors of point
poi2poi(1,5) = 1 ! point indeces
poi2poi(2,5) = 6
poi2poi(3,5) = 8
poi2plane(0,5) = 3 ! number of planes passing from point
poi2plane(1,5) = 1 ! plane indeces
poi2plane(2,5) = 3
poi2plane(3,5) = 6
c
poi2poi(0,6) = 3 ! number of neighbors of point
poi2poi(1,6) = 2 ! point indeces
poi2poi(2,6) = 5
poi2poi(3,6) = 7
poi2plane(0,6) = 3 ! number of planes passing from point
poi2plane(1,6) = 1 ! plane indeces
poi2plane(2,6) = 4
poi2plane(3,6) = 6
c
poi2poi(0,7) = 3 ! number of neighbors of point
poi2poi(1,7) = 3 ! point indeces
poi2poi(2,7) = 6
poi2poi(3,7) = 8
poi2plane(0,7) = 3 ! number of planes passing from point
poi2plane(1,7) = 2 ! plane indeces
poi2plane(2,7) = 4
poi2plane(3,7) = 6
c
poi2poi(0,8) = 3 ! number of neighbors of point
poi2poi(1,8) = 4 ! point indeces
poi2poi(2,8) = 5
poi2poi(3,8) = 7
poi2plane(0,8) = 3 ! number of planes passing from point
poi2plane(1,8) = 2 ! plane indeces
poi2plane(2,8) = 3
poi2plane(3,8) = 6
c ---------------------------
nplanes = 6
do iplane=1,nplanes
polyplaneA3(iplane) = 0.d0
polyplaneB3(iplane) = 0.d0
polyplaneC3(iplane) = 0.d0
polyplaneD3(iplane) = 0.d0
end do
polyplaneA3(1) = 1.d0
polyplaneD3(1) = alfa/2.d0
polyplaneA3(2) = 1.d0
polyplaneD3(2) = -alfa/2.d0
polyplaneB3(3) = 1.d0
polyplaneD3(3) = alfa/2.d0
polyplaneB3(4) = 1.d0
polyplaneD3(4) = -alfa/2.d0
polyplaneC3(5) = 1.d0
polyplaneD3(5) = alfa/2.d0
polyplaneC3(6) = 1.d0
polyplaneD3(6) = -alfa/2.d0
c
c
return
end
