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Changing how multi/cutoff works, changing collection indexing in user args

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This commit is contained in:
Joel Clemmer
2021-05-04 17:12:17 -06:00
parent bd6dd658d6
commit fa386c0e96
12 changed files with 100 additions and 103 deletions
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src/neighbor.cpp
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@ -2514,6 +2514,8 @@ void Neighbor::modify_params(int narg, char **arg)
int ntypes = atom->ntypes;
int n, nlo, nhi, i, j;
// Invalidate old user cutoffs
comm->ncollections_cutoff = 0;
interval_collection_flag = 1;
custom_collection_flag = 1;
memory->grow(collection2cut,ncollections,"neigh:collection2cut");
@ -2546,6 +2548,8 @@ void Neighbor::modify_params(int narg, char **arg)
int ntypes = atom->ntypes;
int n, nlo, nhi, i, j, k;
// Invalidate old user cutoffs
comm->ncollections_cutoff = 0;
interval_collection_flag = 0;
custom_collection_flag = 1;
if (not type2collection)