add Neighbor::get_xhold() required by fix ipi bugfixes

This commit is contained in:
Axel Kohlmeyer
2024-07-27 00:42:45 -04:00
parent ea67e3104d
commit bdbb391364
2 changed files with 9 additions and 0 deletions

View File

@ -2978,6 +2978,14 @@ bigint Neighbor::get_nneigh_half()
return nneighhalf;
}
/* ----------------------------------------------------------------------
return the pointer containing the last positions stored by the NL builder
------------------------------------------------------------------------- */
double **Neighbor::get_xhold()
{
return xhold;
}
/* ----------------------------------------------------------------------
add pair of atoms to bondlist array
will only persist until the next neighbor build

View File

@ -179,6 +179,7 @@ class Neighbor : protected Pointers {
double memory_usage();
bigint last_setup_bins; // step of last neighbor::setup_bins() call
double **get_xhold(); // access the latest-computed neighbor list positions
protected:
int me, nprocs;