X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=source%2Funres%2Fsrc-HCD-5D%2Fstochfric.F;h=09b6877b78f2373f9c1d009557fdbbac8af0f21f;hb=668a6244b981f429f4498f3b8e0ab34ab35d3984;hp=b8069d94d6215bd1644dc7c606ee4a3cfd5c409c;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git diff --git a/source/unres/src-HCD-5D/stochfric.F b/source/unres/src-HCD-5D/stochfric.F index b8069d9..09b6877 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