diff --git a/src/FEP/fix_adapt_fep.cpp b/src/FEP/fix_adapt_fep.cpp index 668a3c2260..d343c16aae 100644 --- a/src/FEP/fix_adapt_fep.cpp +++ b/src/FEP/fix_adapt_fep.cpp @@ -92,9 +92,9 @@ FixAdaptFEP::FixAdaptFEP(LAMMPS *lmp, int narg, char **arg) : adapt[nadapt].pstyle = utils::strdup(arg[iarg+1]); adapt[nadapt].pparam = utils::strdup(arg[iarg+2]); utils::bounds_typelabel(FLERR, arg[iarg+3], 1, atom->ntypes, - adapt[nadapt].ilo, adapt[nadapt].ihi, error, lmp, Atom::ATOM); + adapt[nadapt].ilo, adapt[nadapt].ihi, lmp, Atom::ATOM); utils::bounds_typelabel(FLERR, arg[iarg+4], 1, atom->ntypes, - adapt[nadapt].jlo, adapt[nadapt].jhi, error, lmp, Atom::ATOM); + adapt[nadapt].jlo, adapt[nadapt].jhi, lmp, Atom::ATOM); // switch i,j if i > j, if wildcards were not used @@ -131,7 +131,7 @@ FixAdaptFEP::FixAdaptFEP(LAMMPS *lmp, int narg, char **arg) : chgflag = 1; } else error->all(FLERR,"Illegal fix adapt/fep command"); utils::bounds_typelabel(FLERR, arg[iarg+2], 1, atom->ntypes, - adapt[nadapt].ilo, adapt[nadapt].ihi, error, lmp, Atom::ATOM); + adapt[nadapt].ilo, adapt[nadapt].ihi, lmp, Atom::ATOM); if (utils::strmatch(arg[iarg+3],"^v_")) { adapt[nadapt].var = utils::strdup(arg[iarg+3]+2); } else error->all(FLERR,"Illegal fix adapt/fep command"); diff --git a/src/atom.cpp b/src/atom.cpp index dab9a1443e..799a256e31 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -1995,7 +1995,7 @@ void Atom::set_mass(const char *file, int line, int /*narg*/, char **arg) error->all(file,line, "Cannot set per-type atom mass for atom style {}", atom_style); int lo, hi; - utils::bounds_typelabel(file, line, arg[0], 1, ntypes, lo, hi, error, lmp, Atom::ATOM); + utils::bounds_typelabel(file, line, arg[0], 1, ntypes, lo, hi, lmp, Atom::ATOM); if ((lo < 1) || (hi > ntypes)) error->all(file, line, "Invalid atom type {} for atom mass", arg[0]); diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index d5639bbb34..372bebbfc7 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -102,8 +102,8 @@ ComputeRDF::ComputeRDF(LAMMPS *lmp, int narg, char **arg) : } else { iarg = 4; for (int ipair = 0; ipair < npairs; ipair++) { - utils::bounds_typelabel(FLERR, arg[iarg], 1, atom->ntypes, ilo[ipair], ihi[ipair], error, lmp, Atom::ATOM); - utils::bounds_typelabel(FLERR, arg[iarg+1], 1, atom->ntypes, jlo[ipair], jhi[ipair], error, lmp, Atom::ATOM); + utils::bounds_typelabel(FLERR, arg[iarg], 1, atom->ntypes, ilo[ipair], ihi[ipair], lmp, Atom::ATOM); + utils::bounds_typelabel(FLERR, arg[iarg+1], 1, atom->ntypes, jlo[ipair], jhi[ipair], lmp, Atom::ATOM); // switch i,j if i > j, if wildcards were not used diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index d1fa4b3312..cad157f2be 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -100,9 +100,9 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : adapt[nadapt].pstyle = utils::strdup(arg[iarg+1]); adapt[nadapt].pparam = utils::strdup(arg[iarg+2]); utils::bounds_typelabel(FLERR, arg[iarg+3], 1, atom->ntypes, - adapt[nadapt].ilo, adapt[nadapt].ihi, error, lmp, Atom::ATOM); + adapt[nadapt].ilo, adapt[nadapt].ihi, lmp, Atom::ATOM); utils::bounds_typelabel(FLERR, arg[iarg+4], 1, atom->ntypes, - adapt[nadapt].jlo, adapt[nadapt].jhi, error, lmp, Atom::ATOM); + adapt[nadapt].jlo, adapt[nadapt].jhi, lmp, Atom::ATOM); // switch i,j if i > j, if wildcards were not used @@ -127,7 +127,7 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : adapt[nadapt].bstyle = utils::strdup(arg[iarg+1]); adapt[nadapt].bparam = utils::strdup(arg[iarg+2]); utils::bounds_typelabel(FLERR, arg[iarg+3], 1, atom->nbondtypes, - adapt[nadapt].ilo, adapt[nadapt].ihi, error, lmp, Atom::BOND); + adapt[nadapt].ilo, adapt[nadapt].ihi, lmp, Atom::BOND); if (utils::strmatch(arg[iarg+4],"^v_")) { adapt[nadapt].var = utils::strdup(arg[iarg+4]+2); } else error->all(FLERR,"Argument #{} must be variable not {}", iarg+5, arg[iarg+4]); @@ -140,7 +140,7 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : adapt[nadapt].astyle = utils::strdup(arg[iarg+1]); adapt[nadapt].aparam = utils::strdup(arg[iarg+2]); utils::bounds_typelabel(FLERR, arg[iarg+3], 1, atom->nangletypes, - adapt[nadapt].ilo, adapt[nadapt].ihi, error, lmp, Atom::ANGLE); + adapt[nadapt].ilo, adapt[nadapt].ihi, lmp, Atom::ANGLE); if (utils::strmatch(arg[iarg+4],"^v_")) { adapt[nadapt].var = utils::strdup(arg[iarg+4]+2); } else error->all(FLERR,"Argument #{} must be variable not {}", iarg+5, arg[iarg+4]); diff --git a/src/set.cpp b/src/set.cpp index 1a81cd32ba..73e218db0f 100644 --- a/src/set.cpp +++ b/src/set.cpp @@ -740,7 +740,7 @@ void Set::selection(int n) else select[i] = 0; } else if (style == TYPE_SELECT) { - utils::bounds_typelabel(FLERR,id,1,atom->ntypes,nlo,nhi,error,lmp,Atom::ATOM); + utils::bounds_typelabel(FLERR,id,1,atom->ntypes,nlo,nhi,lmp,Atom::ATOM); int *type = atom->type; for (int i = 0; i < n; i++) diff --git a/src/utils.cpp b/src/utils.cpp index 70dee2353e..2c122a17cc 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -655,7 +655,7 @@ template void utils::bounds<>(const char *, int, const std::string &, template void utils::bounds_typelabel(const char *file, int line, const std::string &str, bigint nmin, - bigint nmax, TYPE &nlo, TYPE &nhi, Error *error, LAMMPS *lmp, int mode) + bigint nmax, TYPE &nlo, TYPE &nhi, LAMMPS *lmp, int mode) { nlo = nhi = -1; char *typestr; @@ -665,15 +665,15 @@ void utils::bounds_typelabel(const char *file, int line, const std::string &str, if (nlo > -1) return; else - utils::bounds(file, line, str, nmin, nmax, nlo, nhi, error); + utils::bounds(file, line, str, nmin, nmax, nlo, nhi, lmp->error); } template void utils::bounds_typelabel<>(const char *, int, const std::string &, bigint, bigint, - int &, int &, Error *, LAMMPS *, int); + int &, int &, LAMMPS *, int); template void utils::bounds_typelabel<>(const char *, int, const std::string &, bigint, bigint, - long &, long &, Error *, LAMMPS *, int); + long &, long &, LAMMPS *, int); template void utils::bounds_typelabel<>(const char *, int, const std::string &, bigint, bigint, - long long &, long long &, Error *, LAMMPS *, int); + long long &, long long &, LAMMPS *, int); /* ------------------------------------------------------------------------- Expand list of arguments in arg to earg if arg contains wildcards diff --git a/src/utils.h b/src/utils.h index 01264bdb8e..3f2ef378ec 100644 --- a/src/utils.h +++ b/src/utils.h @@ -341,8 +341,8 @@ namespace utils { * \param mode select labelmap using constants from Atom class */ template - void bounds_typelabel(const char *file, int line, const std::string &str, bigint nmin, bigint nmax, - TYPE &nlo, TYPE &nhi, Error *error, LAMMPS *lmp, int mode); + void bounds_typelabel(const char *file, int line, const std::string &str, bigint nmin, + bigint nmax, TYPE &nlo, TYPE &nhi, LAMMPS *lmp, int mode); /*! Expand list of arguments when containing fix/compute wildcards *