diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp index 5be1de82a9..899768082b 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp @@ -426,15 +426,15 @@ void PairLJCutTIP4PCut::settings(int narg, char **arg) { if (narg < 6 || narg > 7) error->all(FLERR,"Illegal pair_style command"); - typeO = utils::inumeric(FLERR,arg[0],false,lmp); - typeH = utils::inumeric(FLERR,arg[1],false,lmp); - typeB = utils::inumeric(FLERR,arg[2],false,lmp); - typeA = utils::inumeric(FLERR,arg[3],false,lmp); - qdist = utils::numeric(FLERR,arg[4],false,lmp); + typeO = utils::expand_type_int(FLERR, arg[0], Atom::ATOM, lmp); + typeH = utils::expand_type_int(FLERR, arg[1], Atom::ATOM, lmp); + typeB = utils::expand_type_int(FLERR, arg[2], Atom::BOND, lmp); + typeA = utils::expand_type_int(FLERR, arg[3], Atom::ANGLE, lmp); + qdist = utils::numeric(FLERR, arg[4], false, lmp); - cut_lj_global = utils::numeric(FLERR,arg[5],false,lmp); + cut_lj_global = utils::numeric(FLERR, arg[5], false, lmp); if (narg == 6) cut_coul = cut_lj_global; - else cut_coul = utils::numeric(FLERR,arg[6],false,lmp); + else cut_coul = utils::numeric(FLERR, arg[6], false, lmp); cut_coulsq = cut_coul * cut_coul; cut_coulsqplus = (cut_coul + 2.0*qdist) * (cut_coul + 2.0*qdist); diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp index 73a5651e6b..d8d657850a 100644 --- a/src/MOLECULE/pair_tip4p_cut.cpp +++ b/src/MOLECULE/pair_tip4p_cut.cpp @@ -375,12 +375,12 @@ void PairTIP4PCut::settings(int narg, char **arg) { if (narg != 6) error->all(FLERR,"Illegal pair_style command"); - typeO = utils::inumeric(FLERR,arg[0],false,lmp); - typeH = utils::inumeric(FLERR,arg[1],false,lmp); - typeB = utils::inumeric(FLERR,arg[2],false,lmp); - typeA = utils::inumeric(FLERR,arg[3],false,lmp); - qdist = utils::numeric(FLERR,arg[4],false,lmp); - cut_coul = utils::numeric(FLERR,arg[5],false,lmp); + typeO = utils::expand_type_int(FLERR, arg[0], Atom::ATOM, lmp); + typeH = utils::expand_type_int(FLERR, arg[1], Atom::ATOM, lmp); + typeB = utils::expand_type_int(FLERR, arg[2], Atom::BOND, lmp); + typeA = utils::expand_type_int(FLERR, arg[3], Atom::ANGLE, lmp); + qdist = utils::numeric(FLERR, arg[4], false, lmp); + cut_coul = utils::numeric(FLERR, arg[5], false, lmp); cut_coulsq = cut_coul * cut_coul; cut_coulsqplus = (cut_coul + 2.0*qdist) * (cut_coul + 2.0*qdist);