cgrad enddo
do l=1,3
- gvdwc(l,i)=gvdwc(l,i)-gg(l)+gg_lipi(k)
- gvdwc(l,j)=gvdwc(l,j)+gg(l)+gg_lipj(k)
+ gvdwc(l,i)=gvdwc(l,i)-gg(l)+gg_lipi(l)
+ gvdwc(l,j)=gvdwc(l,j)+gg(l)+gg_lipj(l)
enddo
return
logical found
integer i_newnss(1024),displ(0:1024)
integer g_newihpb(maxdim_cont),g_newjhpb(maxdim_cont),g_newnss
-
+ nfgtasks=1
allnss=0
do i=1,ns-1
do j=i+1,ns