LOGICAL FUNCTION CLUSTCOMP_TB(
> RCLS,IREFPOT,ATOM,IAT1,IC1,N1,RCLS1,N2,IAT2)
c#@# KKRtags: VORONOI KKRhost geometry
implicit none
c This func returns true if cluster ic1 is equal to new cluster
c RCLS coordinates of all (already found) clusters
c IC1 First cluster index
c N1 Number of atoms in IC1 cluster
c rcls1 coordinates of new cluster
c n2 number of atoms in ic2 cluster
c ATOM: atom-type at a certain position in a cluster
c IAT1, IAT2: central atoms of 1st,2nd cluster
c IREFPOT: Type of reference potential
include 'inc.geometry'
REAL*8 RCLS(3,NACLSD,*),RCLS1(3,NACLSD)
INTEGER ATOM(NACLSD,*),IREFPOT(*)
INTEGER IC1,N1,IC2,N2,IAT1,IAT2,N,I
REAL*8 RD,TOL
LOGICAL LREFLOG
TOL = 1.D-5
CLUSTCOMP_TB = .FALSE.
LREFLOG = .TRUE.
IF (N1.EQ.N2) THEN
RD = 0.D0
DO N=1,N1
IF (IREFPOT(ABS(ATOM(N,IAT1))).NE. ! compare ref-potential types
+ IREFPOT(ABS(ATOM(N,IAT2)))) LREFLOG = .FALSE.
DO I=1,3
RD = RD + ABS(RCLS(I,N,IC1) - RCLS1(I,N)) ! compare coordinares
END DO
END DO
IF (ABS(RD).LT.TOL.AND.LREFLOG) CLUSTCOMP_TB = .TRUE.
END IF
END
