diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index f31c3c5743..abc72ff202 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -46,7 +46,7 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) : hist(nullptr), histall(nullptr), typecount(nullptr), icount(nullptr), jcount(nullptr), duplicates(nullptr) { - if (narg < 4) error->all(FLERR,"Illegal compute rdf command"); + if (narg < 4) utils::missing_cmd_args(FLERR,"compute rdf", error); array_flag = 1; extarray = 0; @@ -67,14 +67,14 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) : while (iarg < narg) { if (strcmp(arg[iarg],"cutoff") == 0) { - if (iarg+2 > narg) error->all(FLERR,"Illegal compute rdf command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR,"compute rdf cutoff", error); if ((neighbor->style == Neighbor::MULTI) || (neighbor->style == Neighbor::MULTI_OLD)) error->all(FLERR, "Compute rdf with custom cutoff requires neighbor style 'bin' or 'nsq'"); cutoff_user = utils::numeric(FLERR,arg[iarg+1],false,lmp); if (cutoff_user <= 0.0) cutflag = 0; else cutflag = 1; iarg += 2; - } else error->all(FLERR,"Illegal compute rdf command"); + } else error->all(FLERR,"Unknown compute rdf keyword {}", arg[iarg]); } // pairwise args @@ -141,17 +141,17 @@ ComputeRDF::~ComputeRDF() { memory->destroy(rdfpair); memory->destroy(nrdfpair); - delete [] ilo; - delete [] ihi; - delete [] jlo; - delete [] jhi; + delete[] ilo; + delete[] ihi; + delete[] jlo; + delete[] jhi; memory->destroy(hist); memory->destroy(histall); memory->destroy(array); - delete [] typecount; - delete [] icount; - delete [] jcount; - delete [] duplicates; + delete[] typecount; + delete[] icount; + delete[] jcount; + delete[] duplicates; } /* ---------------------------------------------------------------------- */ @@ -160,8 +160,7 @@ void ComputeRDF::init() { if (!force->pair && !cutflag) - error->all(FLERR,"Compute rdf requires a pair style be defined " - "or cutoff specified"); + error->all(FLERR,"Compute rdf requires a pair style or an explicit cutoff"); if (cutflag) { double skin = neighbor->skin; @@ -256,7 +255,7 @@ void ComputeRDF::init_norm() for (i = 0; i < npairs; i++) jcount[i] = scratch[i]; MPI_Allreduce(duplicates,scratch,npairs,MPI_INT,MPI_SUM,world); for (i = 0; i < npairs; i++) duplicates[i] = scratch[i]; - delete [] scratch; + delete[] scratch; } /* ---------------------------------------------------------------------- */