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Merge remote-tracking branch 'github/develop' into collected-small-changes

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Axel Kohlmeyer
2025-06-14 05:20:05 -04:00
parent 3a628ce4b1 08d2856558
commit 5013b80434
1 changed files with 2 additions and 0 deletions
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src/REACTION/fix_bond_react.cpp
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@ -4238,6 +4238,8 @@ void FixBondReact::CreateAtoms(char *line, int myrxn)
} }
if (twomol->xflag == 0) if (twomol->xflag == 0)
error->one(FLERR,"Fix bond/react: 'Coords' section required in post-reaction template when creating new atoms"); error->one(FLERR,"Fix bond/react: 'Coords' section required in post-reaction template when creating new atoms");
if (atom->rmass_flag && !twomol->rmassflag)
error->one(FLERR, "Fix bond/react: 'Masses' section required in post-reaction template when creating new atoms if per-atom masses are defined.");
} }
void FixBondReact::CustomCharges(int ifragment, int myrxn) void FixBondReact::CustomCharges(int ifragment, int myrxn)