add comm of ghost atom coords to compute cluster/atom and aggregate/atom
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@ -110,6 +110,11 @@ void ComputeAggregateAtom::compute_peratom()
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vector_atom = aggregateID;
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vector_atom = aggregateID;
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}
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}
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// communicate coords for ghost atoms if box can change, e.g. fix deform
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// this ensures ghost atom coords are current
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comm->forward_comm();
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// invoke full neighbor list (will copy or build if necessary)
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// invoke full neighbor list (will copy or build if necessary)
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// on the first step of a run, set preflag to one in neighbor->build_one(...)
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// on the first step of a run, set preflag to one in neighbor->build_one(...)
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@ -99,6 +99,11 @@ void ComputeClusterAtom::compute_peratom()
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vector_atom = clusterID;
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vector_atom = clusterID;
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}
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}
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// communicate coords for ghost atoms if box can change, e.g. fix deform
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// this ensures ghost atom coords are current
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comm->forward_comm();
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// invoke full neighbor list (will copy or build if necessary)
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// invoke full neighbor list (will copy or build if necessary)
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// on the first step of a run, set preflag to one in neighbor->build_one(...)
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// on the first step of a run, set preflag to one in neighbor->build_one(...)
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