comment debug
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Tue, 6 Apr 2021 14:09:39 +0000 (16:09 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Tue, 6 Apr 2021 14:09:39 +0000 (16:09 +0200)
source/unres/geometry.F90

index fe8e89a..59a7972 100644 (file)
       endif 
 !  Settind dE/ddnres-1       
 !#define DEBUG
-#ifdef DEBUG
-          j=1
-              write(iout,*)"in int to carta",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
-        gloc(2*nres-5,icg),dtheta(j,2,nres)
+!#ifdef DEBUG
+!          j=1
+!              write(iout,*)"in int to carta",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
+!        gloc(2*nres-5,icg),dtheta(j,2,nres)
 
-#endif
+!#endif
 !#undef DEBUG
 
        do j=1,3
         gcart(j,nres-1)=gcart(j,nres-1)+gloc(nres-3,icg)*dphi(j,3,nres)+ &
        gloc(2*nres-5,icg)*dtheta(j,2,nres)
 !#define DEBUG
-#ifdef DEBUG
-              write(iout,*)"in int to cartb",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
-        gloc(2*nres-5,icg),dtheta(j,2,nres)
-
-#endif
+!#ifdef DEBUG
+!              write(iout,*)"in int to cartb",nres-1,gcart(j,nres-1),gloc(nres-3,icg),dphi(j,3,nres), &
+!        gloc(2*nres-5,icg),dtheta(j,2,nres)
+!
+!#endif
 !#undef DEBUG
         if((itype(nres-1,1).ne.10).and.(molnum(nres-1).ne.5)) then
           gcart(j,nres-1)=gcart(j,nres-1)+gloc(ialph(nres-1,1),icg)* &
          dalpha(j,2,nres-1)+gloc(ialph(nres-1,1)+nside,icg)* &
           domega(j,2,nres-1)
 !#define DEBUG
-#ifdef DEBUG
-              write(iout,*)"in int to cart2",i,gcart(j,nres-1),gloc(ialph(nres-1,1),icg)* &
-          dalpha(j,2,nres-1),gloc(ialph(nres-1,1)+nside,icg), &
-          domega(j,2,nres-1)
+!#ifdef DEBUG
+!              write(iout,*)"in int to cart2",i,gcart(j,nres-1),gloc(ialph(nres-1,1),icg)* &
+!          dalpha(j,2,nres-1),gloc(ialph(nres-1,1)+nside,icg), &
+!          domega(j,2,nres-1)
 
-#endif
+!#endif
 !#undef DEBUG
 
         endif
               gxcart(j,i)=gxcart(j,i)+gloc(ialph(i,1),icg)*dalpha(j,3,i) &
               +gloc(ialph(i,1)+nside,icg)*domega(j,3,i)
 !#define DEBUG
-#ifdef DEBUG
-              write(iout,*)"in int to cart",i, gxcart(j,i),gloc(ialph(i,1),icg),dalpha(j,3,i), &
-              gloc(ialph(i,1)+nside,icg),domega(j,3,i)
-#endif
+!#ifdef DEBUG
+!              write(iout,*)"in int to cart",i, gxcart(j,i),gloc(ialph(i,1),icg),dalpha(j,3,i), &
+!              gloc(ialph(i,1)+nside,icg),domega(j,3,i)
+!#endif
 !#undef DEBUG
             enddo
          endif