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update HCD-5D
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
stochfric.F
diff --git
a/source/unres/src-HCD-5D/stochfric.F
b/source/unres/src-HCD-5D/stochfric.F
index
b8069d9
..
09b6877
100644
(file)
--- 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 & " 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
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)
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
c write (iout,*)"stochastic_force ichain=",ichain," innt",innt,
c & " inct",inct," iposc",iposc
do j=1,3