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Merge pull request #1556 from lammps/bug-maxexchange

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more robust version of atom exchange size
This commit is contained in:
Axel Kohlmeyer
2019-07-30 17:09:18 -04:00
committed by GitHub
parent e3b1673c8c 3548551479
commit 11a3fd6ce4
21 changed files with 186 additions and 89 deletions
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src/atom_vec_hybrid.cpp
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@ -93,6 +93,7 @@ void AtomVecHybrid::process_args(int narg, char **arg)
size_data_atom = 5;
size_data_vel = 4;
xcol_data = 3;
maxexchange = 0;
for (int k = 0; k < nstyles; k++) {
if ((styles[k]->molecular == 1 && molecular == 2) ||
@ -118,6 +119,8 @@ void AtomVecHybrid::process_args(int narg, char **arg)
size_border += styles[k]->size_border - 6;
size_data_atom += styles[k]->size_data_atom - 5;
size_data_vel += styles[k]->size_data_vel - 4;
maxexchange += styles[k]->maxexchange;
}
size_velocity = 3;