add comm of ghost atom coords to compute cluster/atom and aggregate/atom

This commit is contained in:
Steve Plimpton
2023-10-31 16:02:49 -06:00
parent f0a15036cd
commit 74efe0a00c
2 changed files with 10 additions and 0 deletions

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@ -99,6 +99,11 @@ void ComputeClusterAtom::compute_peratom()
vector_atom = clusterID;
}
// communicate coords for ghost atoms if box can change, e.g. fix deform
// this ensures ghost atom coords are current
comm->forward_comm();
// invoke full neighbor list (will copy or build if necessary)
// on the first step of a run, set preflag to one in neighbor->build_one(...)