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bond/react doc tweaks 2

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jrgissing
2018-12-06 21:32:10 -07:00
parent cf3aee9083
commit afaaf442d3
3 changed files with 4 additions and 3 deletions
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4
src/USER-MISC/fix_bond_react.cpp
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@ -1653,13 +1653,13 @@ void FixBondReact::find_landlocked_atoms(int myrxn)
}
}
// additionally, if a deleted atom is bonded to a undeleted atom, bad
// additionally, if a deleted atom is bonded to an atom that is not deleted, bad
for (int i = 0; i < onemol->natoms; i++) {
if (delete_atoms[i][myrxn] == 1) {
int ii = reverse_equiv[i][1][myrxn] - 1;
for (int j = 0; j < twomol_nxspecial[ii][0]; j++) {
if (delete_atoms[equivalences[twomol_xspecial[ii][j]-1][1][myrxn]-1][myrxn] == 0) {
error->one(FLERR,"A deleted atom cannot be bonded to an undeleted atom");
error->one(FLERR,"A deleted atom cannot remain bonded to an atom that is not deleted");
}
}
}