minor edit to reset atom_map

This commit is contained in:
draneyj
2023-12-14 09:13:27 -05:00
parent 31f753c7d0
commit c6417581bc

View File

@ -293,7 +293,6 @@ void FixHMC::setup_arrays_and_pointers()
// Per-atom scalar properties to be saved and restored:
current_peratom = atom->peratom;
stored_nmax = 0; // initialize so the memory gets allocated on first save
// Determine which energy contributions must be computed:
@ -628,6 +627,8 @@ void FixHMC::save_current_state()
int nmax = atom->nmax;
double *scalar, **vector, *energy, **stress;
current_peratom = atom->peratom;
if (nmax > stored_nmax) {
// reallocate tag array
stored_nmax = nmax;
@ -754,10 +755,11 @@ void FixHMC::restore_saved_state()
int map_cleared = false;
current_peratom = atom->peratom;
// clear the atom map since we will be messing all that up
if (atom->map_style != Atom::MAP_NONE) {
atom->map_clear();
map_cleared = true;
}
// restore tag and peratom body data