reords.f

最经典的分子对结软件

***************************************************************************
*-------------------------------REORDER-----------------------------------*
CCC This subroutine of the program CLUSTER is responsible for reordering
CCC the array CLSXYZ.  Called from AVRSPH.
CCC Uses a bubble search algorithm.
CCC Brian Shoichet, February 1, 1990.
***************************************************************************
       subroutine reords(sphcnt)

      include 'cluster.h'
       integer sphcnt
ccc       sphcnt: sphere marker.
       integer j, k
ccc       loop variables.
       real    temp(7)
       logical sorted

       sorted=.false.
200    if(.not.sorted)then
            sorted=.true.
            do 300 j=1,5-1
                 if(clsxyz(sphcnt,j,5).gt.clsxyz(sphcnt,j+1,5))then
                      do 50 k=1,7
                           temp(k)=clsxyz(sphcnt,j,k)
   50                 continue
                      do 75 k=1,7
                           clsxyz(sphcnt,j,k)=clsxyz(sphcnt,j+1,k)
   75                 continue
                      do 100 k=1,7
                           clsxyz(sphcnt,j+1,k)=temp(k)
  100                 continue
                      sorted=.false.
                 endif
300         continue
       goto 200
       endif
              
       return
       end