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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1703 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-04-02 20:32:07 +00:00
parent 1c6abf9cfd
commit 67f28d776b
1 changed files with 6 additions and 4 deletions
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10
src/fix_viscosity.cpp
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@ -158,7 +158,8 @@ void FixViscosity::end_of_step()
slabhi_hi = boxlo + ((nbin-1)/2 + 1)*binsize;
}
// make list of nswap atoms with velocity closest to +/- vtarget
// make 2 lists of up to nswap atoms with velocity closest to +/- vtarget
// lists are sorted by closeness to vtarget
// only consider atoms in the bottom/middle slabs
// map atoms back into periodic box if necessary
// insert = location in list to insert new atom
@ -216,6 +217,7 @@ void FixViscosity::end_of_step()
// loop over nswap pairs
// find 2 global atoms with smallest delta in bottom/top slabs
// BIG values are for procs with no atom to contribute
// MINLOC also communicates which procs own them
// exchange momenta between the 2 particles
// if I own both particles just swap, else point2point comm of vel,mass
@ -228,9 +230,7 @@ void FixViscosity::end_of_step()
int ipositive = 0;
int inegative = 0;
int nactual = MIN(nnegative,npositive);
for (m = 0; m < nactual; m++) {
for (m = 0; m < nswap; m++) {
if (ipositive < npositive) mine[0].value = pos_delta[ipositive];
else mine[0].value = BIG;
if (inegative < nnegative) mine[1].value = neg_delta[inegative];
@ -238,6 +238,8 @@ void FixViscosity::end_of_step()
MPI_Allreduce(mine,all,2,MPI_DOUBLE_INT,MPI_MINLOC,world);
if (all[0].value == BIG || all[1].value == BIG) continue;
if (me == all[0].proc && me == all[1].proc) {
ipos = pos_index[ipositive++];
ineg = neg_index[inegative++];