X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fstochfric.F;h=c8a3a0d21476a33d7bae295203972cecac099157;hb=05c1789531ec3f44dfebf41b426cb1204329e7ff;hp=b8069d94d6215bd1644dc7c606ee4a3cfd5c409c;hpb=b6b1679cfe492bd5b73e03410f82917bd9c3aa7b;p=unres.git diff --git a/source/unres/src-HCD-5D/stochfric.F b/source/unres/src-HCD-5D/stochfric.F index b8069d9..c8a3a0d 100644 --- a/source/unres/src-HCD-5D/stochfric.F +++ b/source/unres/src-HCD-5D/stochfric.F @@ -70,6 +70,9 @@ c write (iout,*) "friction_force j",j," ichain",ichain, c & " n",n," iposc",iposc,iposc+n-1 innt=chain_border(1,ichain) inct=chain_border(2,ichain) +c diagnostics +c innt=chain_border(1,1) +c inct=chain_border(2,1) do i=innt,inct vvec(ind+1)=v_work(j,i) ind=ind+1 @@ -324,6 +327,10 @@ c Compute the stochastic forces acting on bodies. Store in force. innt=chain_border(1,ichain) inct=chain_border(2,ichain) iposc=iposd_chain(ichain) +c for debugging only +c innt=chain_border(1,1) +c inct=chain_border(2,1) +c iposc=iposd_chain(1) c write (iout,*)"stochastic_force ichain=",ichain," innt",innt, c & " inct",inct," iposc",iposc do j=1,3 @@ -518,7 +525,7 @@ c save licznik integer IERROR integer i,j,k,l,ind,ind1,m,ii,iti,it,nzero,innt,inct integer ichain,nind - logical lprn /.true./ + logical lprn /.false./ double precision dtdi,gamvec(MAXRES2) common /syfek/ gamvec #ifndef FIVEDIAG