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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-10-21 19:39:28 +00:00
parent abe4c06219
commit 8a10c55a3b
20 changed files with 38 additions and 21 deletions
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2
src/REPLICA/fix_neb.cpp
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@ -138,7 +138,7 @@ void FixNEB::min_post_force(int vflag)
// veng = PE of this replica
// vprev,vnext = PEs of adjacent replicas
veng = pe->compute_scalar();
vprev = vnext = veng = pe->compute_scalar();
if (ireplica < nreplica-1) MPI_Send(&veng,1,MPI_DOUBLE,procnext,0,uworld);
if (ireplica > 0) MPI_Recv(&vprev,1,MPI_DOUBLE,procprev,0,uworld,MPI_STATUS_IGNORE);