endif
enddo
#ifdef DEBUG
- write (iout,*) "vvec ind",ind
+ write (iout,*) "vvec ind",ind," n",n
write (iout,'(f10.5)') (vvec(i),i=iposc,ind)
#endif
c write (iout,*) "chain",i," ind",ind," n",n
call fivediagmult(n,DMfric(iposc),DU1fric(iposc),
- & DU2fric(iposc),vvec,rs)
+ & DU2fric(iposc),vvec(iposc),rs)
+#ifdef DEBUG
+ write (iout,*) "rs"
+ write (iout,'(f10.5)') (rs(i),i=1,n)
+#endif
do i=iposc,iposc+n-1
- fric_work(3*(i-1)+j)=-rs(i)
+c write (iout,*) "ichain",ichain," i",i," j",j,
+c & "index",3*(i-1)+j,"rs",rs(i-iposc+1)
+ fric_work(3*(i-1)+j)=-rs(i-iposc+1)
enddo
enddo
enddo
#ifdef DEBUG
- write (iout,*) "Vector fric_work"
+ write (iout,*) "Vector fric_work dimen3",dimen3
write (iout,'(3f10.5)') (fric_work(j),j=1,dimen3)
#endif
#else
#endif
c Compute the stochastic forces acting on bodies. Store in force.
do i=nnt,nct-1
+#ifdef FIVEDIAG
+ if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) cycle
+#endif
sig=stdforcp(i)
lowb=-5*sig
highb=5*sig
ind=ind+3
endif
enddo
-#endif
if (lprn) then
write (iout,*) "stochforcvec"
do i=1,3*dimen
enddo
ind=ind+3
enddo
-
endif
+#endif
return
end
c------------------------------------------------------------------
integer IERROR
integer i,j,k,l,ind,ind1,m,ii,iti,it,nzero,innt,inct
integer ichain,nind
- logical lprn /.false./
+ logical lprn /.true./
double precision dtdi,gamvec(MAXRES2)
common /syfek/ gamvec
#ifndef FIVEDIAG
enddo
if (surfarea) call sdarea(gamvec)
if (lprn) then
- write (iout,*) "Vector gamvec"
- do i=1,dimen1
+ write (iout,*) "Vector gamvec ii",ii
+ do i=1,ii
write (iout,'(i5,f10.5)') i, gamvec(i)
enddo
endif