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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5662 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-02-15 22:51:17 +00:00
parent cfdc1078a0
commit b0c3a2c43a
1 changed files with 2 additions and 1 deletions
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3
src/MOLECULE/fix_bond_swap.cpp
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@ -229,6 +229,7 @@ void FixBondSwap::pre_neighbor()
// atom j must be on-processor (j < nlocal) // atom j must be on-processor (j < nlocal)
// atom j must be in fix group // atom j must be in fix group
// i and j must be same distance from chain end (mol[i] = mol[j]) // i and j must be same distance from chain end (mol[i] = mol[j])
// NOTE: must use extra parens in if test on mask[j] & groupbit
int ntest = static_cast<int> (fraction * neligible); int ntest = static_cast<int> (fraction * neligible);
int accept = 0; int accept = 0;
@ -241,7 +242,7 @@ void FixBondSwap::pre_neighbor()
for (jj = 0; jj < jnum; jj++) { for (jj = 0; jj < jnum; jj++) {
j = jlist[jj]; j = jlist[jj];
if (j >= nlocal) continue; if (j >= nlocal) continue;
if (mask[j] & groupbit == 0) continue; if ((mask[j] & groupbit) == 0) continue;
if (molecule[i] != molecule[j]) continue; if (molecule[i] != molecule[j]) continue;
// look at all bond partners of atoms i and j // look at all bond partners of atoms i and j