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remove redundant error argument (accessible through lmp)

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This commit is contained in:
Axel Kohlmeyer
2024-06-25 18:19:41 -04:00
parent fcba5ee3c9
commit 5cbe85ecf1
7 changed files with 18 additions and 18 deletions
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6
src/FEP/fix_adapt_fep.cpp
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@ -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");

2
src/atom.cpp
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@ -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]);

4
src/compute_rdf.cpp
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@ -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

8
src/fix_adapt.cpp
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@ -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]);

2
src/set.cpp
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@ -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++)

10
src/utils.cpp
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@ -655,7 +655,7 @@ template void utils::bounds<>(const char *, int, const std::string &,
template <typename TYPE>
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

4
src/utils.h
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@ -341,8 +341,8 @@ namespace utils {
* \param mode select labelmap using constants from Atom class */
template <typename TYPE>
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
*