diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index c2a03b0515..d439a236b9 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -2311,7 +2311,9 @@ double FixBondReact::rxnfunction(const std::string& rxnfunc, const std::string& if (nsum != 2) error->one(FLERR,"Bond/react: Molecule fragment of reaction special function 'rxnbond' " "must contain exactly two atoms"); - cperbond->compute_local(); + if (cperbond->invoked_local != lmp->update->ntimestep) + cperbond->compute_local(); + ibond = cperbond->atoms2bond.find(aset)->second; perbondval = cperbond->vector_local[ibond]; return perbondval;