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variable probability fix

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This commit is contained in:
jrgissing
2021-02-20 20:22:53 -05:00
parent 7d9187cff8
commit 196b6b9273
1 changed files with 3 additions and 4 deletions
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7
src/USER-REACTION/fix_bond_react.cpp
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@ -868,6 +868,9 @@ void FixBondReact::post_integrate()
ghostly_rxn_count[i] = 0;
nlocalskips[i] = 0;
nghostlyskips[i] = 0;
// update reaction probability
if (var_flag[PROB][i])
fraction[i] = input->variable->compute_equal(var_id[PROB][i]);
}
if (nevery_check) {
@ -875,10 +878,6 @@ void FixBondReact::post_integrate()
return;
}
// update reaction probability
if (var_flag[PROB][rxnID])
fraction[rxnID] = input->variable->compute_equal(var_id[PROB][rxnID]);
// acquire updated ghost atom positions
// necessary b/c are calling this after integrate, but before Verlet comm