SUBROUTINE POI2POIUPDATE(poi2poi,poi2plane,npolyplan,npolypoi,
& keepit,polyplaneA3,polyplaneB3,polyplaneC3,polyplaneD3,
& nedge,poiofplane)
implicit none
c#@# KKRtags: VORONOI geometry
integer npoimax,nneimax,nplanemax
parameter (npoimax=300,nneimax=100,nplanemax=100)
c *****
c This sub updates the neighbours array poi2poi, it checks all atoms
c some are newly defined, and looks if a pair of atoms belong
c to the same 2 planes
c
integer npolyplan,npolypoi
integer poi2poi(0:nneimax,npoimax),poi2plane(0:nplanemax,npoimax)
integer poiofplane(nplanemax,npoimax),nedge(*)
logical keepit(npoimax)
real*8 polyplaneA3(nplanemax),polyplaneB3(nplanemax),
& polyplaneC3(nplanemax),polyplaneD3(nplanemax)
real*8 at,bt,ct,dt
c local
integer ip1,ip2,nnei,localplanes(0:nplanemax),points(npoimax)
integer iplane,np,index,np1,i1,i
c ---------------
do ip1=1,npolypoi
nnei = 0
do ip2=1,npolypoi
if (ip1.ne.ip2) then
CALL COMMONPLANE(IP1,IP2,LOCALPLANES,NPOLYPOI,
& POI2PLANE,POI2POI)
if (localplanes(0).eq.2) then
c this pair are neighbours, add it to the list of poi2poi
nnei = nnei + 1
poi2poi(nnei,ip1) = ip2
end if
end if
end do
poi2poi(0,ip1) = nnei
end do
c
c Poi2poi updated now look if all planes have 3 or more atoms in them
c
do ip1=1,npoimax
points(ip1) = 0
end do
do ip1=1,npolypoi
np = poi2plane(0,ip1)
do iplane =1,np
index = poi2plane(iplane,ip1)
if (index.gt.0) then
points(index) = points(index) + 1
poiofplane(index,points(index)) = ip1
end if
end do
end do
c
c
np = 0
do iplane =1,npolyplan
i1 = 0
c write(6,*) 'Plane ',iplane,' has ',points(iplane),' points'
NEDGE(IPLANE) = points(iplane)
c write(6,*) (poiofplane(iplane,i),i=1,nedge(iplane))
end do
end
