need to setup bins again if binning style has be reset

This commit is contained in:
Axel Kohlmeyer
2020-07-19 12:12:20 -04:00
parent 262ce37eed
commit 0008c0eca3
2 changed files with 4 additions and 1 deletions

View File

@ -26,11 +26,13 @@ using namespace LAMMPS_NS;
NBin::NBin(LAMMPS *lmp) : Pointers(lmp)
{
last_bin = -1;
maxbin = maxatom = 0;
mbins = maxbin = maxatom = 0;
binhead = NULL;
bins = NULL;
atom2bin = NULL;
neighbor->last_setup_bins = -1;
// geometry settings
dimension = domain->dimension;

View File

@ -2078,6 +2078,7 @@ void Neighbor::build(int topoflag)
// leading to errors or even a crash
if (style != Neighbor::NSQ) {
if (last_setup_bins < 0) setup_bins();
for (int i = 0; i < nbin; i++) {
neigh_bin[i]->bin_atoms_setup(nall);
neigh_bin[i]->bin_atoms();