enable relancing to work with distributed grids

This commit is contained in:
Steve Plimpton
2022-08-11 13:28:50 -06:00
parent 0e1463fdaa
commit 58800b5191
36 changed files with 264 additions and 171 deletions

View File

@ -27,6 +27,7 @@
#include "comm.h"
#include "domain.h"
#include "fix_store_peratom.h"
#include "force.h"
#include "imbalance.h"
#include "imbalance_group.h"
#include "imbalance_neigh.h"
@ -36,6 +37,7 @@
#include "irregular.h"
#include "memory.h"
#include "modify.h"
#include "pair.h"
#include "rcb.h"
#include "error.h"
@ -366,6 +368,13 @@ void Balance::command(int narg, char **arg)
if (outflag) dumpout(update->ntimestep);
// notify all classes that store distributed grids
// so they can adjust to new proc sub-domains
// no need to invoke kspace->reset_grid() b/c it does this in its init()
modify->reset_grid();
if (force->pair) force->pair->reset_grid();
// check if any particles were lost
bigint natoms;