diff --git a/src/fix_pair.cpp b/src/fix_pair.cpp index 3c967e2cfa..6f98ad2790 100644 --- a/src/fix_pair.cpp +++ b/src/fix_pair.cpp @@ -37,14 +37,14 @@ using namespace FixConst; FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) { - if (narg < 7) error->all(FLERR,"Illegal fix pair command"); + if (narg < 7) utils::missing_cmd_args(FLERR, "fix pair", error); nevery = utils::inumeric(FLERR,arg[3],false,lmp); - if (nevery < 1) error->all(FLERR,"Illegal fix pair command"); + if (nevery < 1) error->all(FLERR,"Illegal fix pair every value: {}", nevery); pairname = utils::strdup(arg[4]); pstyle = force->pair_match(pairname,1,0); - if (pstyle == nullptr) error->all(FLERR,"Fix pair pair style not found"); + if (pstyle == nullptr) error->all(FLERR,"Pair style {} for fix pair not found", pairname); nfield = (narg-5) / 2; fieldname = new char*[nfield]; @@ -54,12 +54,12 @@ FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) : int iarg = 5; while (iarg < narg) { - if (iarg+2 > narg) error->all(FLERR,"Illegal fix pair command"); + if (iarg+2 > narg) utils::missing_cmd_args(FLERR, fmt::format("fix pair {}", arg[iarg]), error); fieldname[nfield] = utils::strdup(arg[iarg]); int flag = utils::inumeric(FLERR,arg[iarg+1],true,lmp); if (flag == 0) trigger[nfield] = 0; else if (flag == 1) trigger[nfield] = 1; - else error->all(FLERR,"Illegal fix pair command"); + else error->all(FLERR,"Illegal fix pair {} command flag: {}", arg[iarg], arg[iarg+1]); nfield++; iarg += 2; } @@ -70,10 +70,7 @@ FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) : for (int ifield = 0; ifield < nfield; ifield++) { if (trigger[ifield] == 0) triggername[ifield] = nullptr; - else { - auto str = fmt::format("%s_flag", fieldname[ifield]); - triggername[nfield] = utils::strdup(str); - } + else triggername[nfield] = utils::strdup(fmt::format("{}_flag", fieldname[ifield])); } // extract all fields just to get number of per-atom values @@ -94,10 +91,10 @@ FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) : int dim; triggerptr[ifield] = (int *) pstyle->extract(triggername[ifield],dim); if (!triggerptr[ifield]) - error->all(FLERR,"Fix pair pair style cannot extract {}", - triggername[ifield]); - if (dim) error->all(FLERR,"Fix pair pair style {} is not a scalar", - triggername[ifield]); + error->all(FLERR,"Fix pair pair style cannot extract {}", triggername[ifield]); + if (dim) + error->all(FLERR,"Fix pair pair style {} trigger {} is not a scalar", + pairname, triggername[ifield]); } } @@ -145,16 +142,16 @@ FixPair::~FixPair() atom->delete_callback(id,Atom::GROW); - delete [] pairname; + delete[] pairname; for (int ifield = 0; ifield < nfield; ifield++) { - delete [] fieldname[ifield]; - delete [] triggername[ifield]; + delete[] fieldname[ifield]; + delete[] triggername[ifield]; } - delete [] fieldname; - delete [] trigger; - delete [] triggername; - delete [] triggerptr; + delete[] fieldname; + delete[] trigger; + delete[] triggername; + delete[] triggerptr; if (ncols == 1) memory->destroy(vector); else memory->destroy(array); @@ -179,7 +176,7 @@ void FixPair::init() // insure pair style still exists pstyle = force->pair_match(pairname,1,0); - if (pstyle == nullptr) error->all(FLERR,"Fix pair pair style not found"); + if (pstyle == nullptr) error->all(FLERR,"Pair style {} for fix pair not found", pairname); } /* ---------------------------------------------------------------------- */