bug fixes to added rendezvous algorithms

This commit is contained in:
Steve Plimpton
2019-03-26 10:09:16 -06:00
parent fff28a8666
commit efad31f474
2 changed files with 11 additions and 10 deletions

View File

@ -257,8 +257,8 @@ void Special::onetwo_build_newton()
// output datums = pairs of atoms that are 1-2 neighbors
for (i = 0; i < nlocal; i++) {
nspecial[i][0] = num_bond[i];
for (j = 0; j < num_bond[i]; j++) {
nspecial[i][0]++;
m = atom->map(bond_atom[i][j]);
if (m >= 0 && m < nlocal) nspecial[m][0]++;
}