X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M-newcorr%2Findexx.f;fp=source%2Funres%2Fsrc_MD-M-newcorr%2Findexx.f;h=b903862bf662ec3183013c96e075aeb9991aa8c9;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git

diff --git a/source/unres/src_MD-M-newcorr/indexx.f b/source/unres/src_MD-M-newcorr/indexx.f
new file mode 100644
index 0000000..b903862
--- /dev/null
+++ b/source/unres/src_MD-M-newcorr/indexx.f
@@ -0,0 +1,81 @@
+      SUBROUTINE indexx(n,arr,indx)
+      implicit real*8 (a-h,o-z)
+      INTEGER n,indx(n),M,NSTACK
+      REAL*8 arr(n)
+c     PARAMETER (M=7,NSTACK=50)
+      PARAMETER (M=7,NSTACK=500)
+      INTEGER i,indxt,ir,itemp,j,jstack,k,l,istack(NSTACK)
+      REAL*8 a
+      do 11 j=1,n
+        indx(j)=j
+11    continue
+      jstack=0
+      l=1
+      ir=n
+1     if(ir-l.lt.M)then
+        do 13 j=l+1,ir
+          indxt=indx(j)
+          a=arr(indxt)
+          do 12 i=j-1,1,-1
+            if(arr(indx(i)).le.a)goto 2
+            indx(i+1)=indx(i)
+12        continue
+          i=0
+2         indx(i+1)=indxt
+13      continue
+        if(jstack.eq.0)return
+        ir=istack(jstack)
+        l=istack(jstack-1)
+        jstack=jstack-2
+      else
+        k=(l+ir)/2
+        itemp=indx(k)
+        indx(k)=indx(l+1)
+        indx(l+1)=itemp
+        if(arr(indx(l+1)).gt.arr(indx(ir)))then
+          itemp=indx(l+1)
+          indx(l+1)=indx(ir)
+          indx(ir)=itemp
+        endif
+        if(arr(indx(l)).gt.arr(indx(ir)))then
+          itemp=indx(l)
+          indx(l)=indx(ir)
+          indx(ir)=itemp
+        endif
+        if(arr(indx(l+1)).gt.arr(indx(l)))then
+          itemp=indx(l+1)
+          indx(l+1)=indx(l)
+          indx(l)=itemp
+        endif
+        i=l+1
+        j=ir
+        indxt=indx(l)
+        a=arr(indxt)
+3       continue
+          i=i+1
+        if(arr(indx(i)).lt.a)goto 3
+4       continue
+          j=j-1
+        if(arr(indx(j)).gt.a)goto 4
+        if(j.lt.i)goto 5
+        itemp=indx(i)
+        indx(i)=indx(j)
+        indx(j)=itemp
+        goto 3
+5       indx(l)=indx(j)
+        indx(j)=indxt
+        jstack=jstack+2
+        if(jstack.gt.NSTACK)pause 'NSTACK too small in indexx'
+        if(ir-i+1.ge.j-l)then
+          istack(jstack)=ir
+          istack(jstack-1)=i
+          ir=j-1
+        else
+          istack(jstack)=j-1
+          istack(jstack-1)=l
+          l=i
+        endif
+      endif
+      goto 1
+      END
+C  (C) Copr. 1986-92 Numerical Recipes Software *11915aZ%.