zmiana do DiL

[unres.git] / source / unres / src_CSA_DiL / parmread.F

diff --git a/source/unres/src_CSA_DiL/parmread.F b/source/unres/src_CSA_DiL/parmread.F
index d419945..08126c6 100644 (file)
--- a/source/unres/src_CSA_DiL/parmread.F
+++ b/source/unres/src_CSA_DiL/parmread.F
@@ -451,18 +451,28 @@ C Read torsional parameters
 C
       read (itorp,*,end=113,err=113) ntortyp
       read (itorp,*,end=113,err=113) (itortyp(i),i=1,ntyp)
+      do iblock=1,2
+      do i=-ntyp,-1
+       itortyp(i)=-itortyp(-1)
+      enddo
 c      write (iout,*) 'ntortyp',ntortyp
-      do i=1,ntortyp
-       do j=1,ntortyp
-         read (itorp,*,end=113,err=113) nterm(i,j),nlor(i,j)
+      do i=0,ntortyp,ntortyp-1
+       do j=-ntortyp,ntortyp
+         read (itorp,*,end=113,err=113) nterm(i,j,iblock),
+     &          nlor(i,j,iblock)
+           nterm(-i,-j,iblock)=nterm(i,j,iblock)
+           nlor(-i,-j,iblock)=nlor(i,j,iblock)
           v0ij=0.0d0
           si=-1.0d0
-         do k=1,nterm(i,j)
-           read (itorp,*,end=113,err=113) kk,v1(k,i,j),v2(k,i,j) 
-            v0ij=v0ij+si*v1(k,i,j)
+         do k=1,nterm(i,j,iblock)
+           read (itorp,*,end=113,err=113) kk,v1(k,i,j,iblock),
+     &      v2(k,i,j,iblock)
+            v1(k,-i,-j,iblock)=v1(k,i,j,iblock)
+            v2(k,-i,-j,iblock)=-v2(k,i,j,iblock) 
+            v0ij=v0ij+si*v1(k,i,j,iblock)
             si=-si
           enddo
-         do k=1,nlor(i,j)
+         do k=1,nlor(i,j,iblock)
             read (itorp,*,end=113,err=113) kk,vlor1(k,i,j),
      &        vlor2(k,i,j),vlor3(k,i,j) 
             v0ij=v0ij+vlor1(k,i,j)/(1+vlor3(k,i,j)**2)
@@ -477,11 +487,12 @@ c      write (iout,*) 'ntortyp',ntortyp
          do j=1,ntortyp
             write (iout,*) 'ityp',i,' jtyp',j
             write (iout,*) 'Fourier constants'
-            do k=1,nterm(i,j)
-             write (iout,'(2(1pe15.5))') v1(k,i,j),v2(k,i,j)
+            do k=1,nterm(i,j,iblock)
+             write (iout,'(2(1pe15.5))') v1(k,i,j,iblock),
+     &         v2(k,i,j,iblock)
             enddo
             write (iout,*) 'Lorenz constants'
-            do k=1,nlor(i,j)
+            do k=1,nlor(i,j,iblock)
              write (iout,'(3(1pe15.5))') 
      &         vlor1(k,i,j),vlor2(k,i,j),vlor3(k,i,j)
             enddo