diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index 351b499468..57f15264f0 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -38,7 +38,7 @@ enum { TYPE, RADIUS }; ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), pstyle(nullptr), pindex(nullptr), vlocal(nullptr), alocal(nullptr) { - if (narg < 4) error->all(FLERR, "Illegal compute pair/local command"); + if (narg < 4) utils::missing_cmd_args(FLERR, "compute pair/local", error); local_flag = 1; nvalues = narg - 3; @@ -97,7 +97,7 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) : // error check if (cutstyle == RADIUS && !atom->radius_flag) - error->all(FLERR, "This compute pair/local requires atom attribute radius"); + error->all(FLERR, "Compute pair/local with ID {} requires atom attribute radius", id); // set singleflag if need to call pair->single() diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp index 64f3859117..872f4173ec 100644 --- a/src/compute_property_local.cpp +++ b/src/compute_property_local.cpp @@ -39,7 +39,7 @@ ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), vlocal(nullptr), alocal(nullptr), indices(nullptr), pack_choice(nullptr) { - if (narg < 4) error->all(FLERR, "Illegal compute property/local command"); + if (narg < 4) utils::missing_cmd_args(FLERR, "compute property/local", error); local_flag = 1; nvalues = narg - 3; @@ -202,25 +202,23 @@ ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg], "cutoff") == 0) { - if (iarg + 2 > narg) error->all(FLERR, "Illegal compute property/local command"); + if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "compute property/local cutoff", error); if (strcmp(arg[iarg + 1], "type") == 0) cutstyle = TYPE; else if (strcmp(arg[iarg + 1], "radius") == 0) cutstyle = RADIUS; else - error->all(FLERR, "Illegal compute property/local command"); + error->all(FLERR, "Unknown compute property/local cutoff keyword: {}", arg[iarg + 1]); iarg += 2; } else - error->all(FLERR, "Illegal compute property/local command"); + error->all(FLERR, "Unknown compute property/local keyword: {}", arg[iarg]); } // error check if (atom->molecular == 2 && (kindflag == BOND || kindflag == ANGLE || kindflag == DIHEDRAL || kindflag == IMPROPER)) - error->all(FLERR, - "Compute property/local does not (yet) work " - "with atom_style template"); + error->all(FLERR, "Compute property/local does not (yet) work with atom_style template"); if (kindflag == BOND && atom->avec->bonds_allow == 0) error->all(FLERR, "Compute property/local for property that isn't allocated"); @@ -231,7 +229,7 @@ ComputePropertyLocal::ComputePropertyLocal(LAMMPS *lmp, int narg, char **arg) : if (kindflag == IMPROPER && atom->avec->impropers_allow == 0) error->all(FLERR, "Compute property/local for property that isn't allocated"); if (cutstyle == RADIUS && !atom->radius_flag) - error->all(FLERR, "Compute property/local requires atom attribute radius"); + error->all(FLERR, "Compute property/local with ID {} requires atom attribute radius", id); nmax = 0; vlocal = nullptr; @@ -255,8 +253,6 @@ void ComputePropertyLocal::init() if (kindflag == NEIGH || kindflag == PAIR) { if (force->pair == nullptr) error->all(FLERR, "No pair style is defined for compute property/local"); - if (force->pair->single_enable == 0) - error->all(FLERR, "Pair style does not support compute property/local"); } // for NEIGH/PAIR need an occasional half neighbor list