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Merge pull request #2358 from eagunn/iss2345

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Replace instances of NULL with nullptr
This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:41:24 -04:00
committed by GitHub
parent f481a403bc baa49984c2
commit cebf6d33ba
1185 changed files with 8417 additions and 8329 deletions
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76
src/force.cpp
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@ -54,12 +54,12 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
qqr2e_lammps_real = 332.06371; // these constants are toggled
qqr2e_charmm_real = 332.0716; // by new CHARMM pair styles
pair = NULL;
bond = NULL;
angle = NULL;
dihedral = NULL;
improper = NULL;
kspace = NULL;
pair = nullptr;
bond = nullptr;
angle = nullptr;
dihedral = nullptr;
improper = nullptr;
kspace = nullptr;
char *str = (char *) "none";
int n = strlen(str) + 1;
@ -76,7 +76,7 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
kspace_style = new char[n];
strcpy(kspace_style,str);
pair_restart = NULL;
pair_restart = nullptr;
create_factories();
}
@ -159,12 +159,12 @@ Force::~Force()
if (improper) delete improper;
if (kspace) delete kspace;
pair = NULL;
bond = NULL;
angle = NULL;
dihedral = NULL;
improper = NULL;
kspace = NULL;
pair = nullptr;
bond = nullptr;
angle = nullptr;
dihedral = nullptr;
improper = nullptr;
kspace = nullptr;
delete pair_map;
delete bond_map;
@ -233,9 +233,9 @@ void Force::create_pair(const std::string &style, int trysuffix)
delete [] pair_style;
if (pair) delete pair;
if (pair_restart) delete [] pair_restart;
pair_style = NULL;
pair = NULL;
pair_restart = NULL;
pair_style = nullptr;
pair = nullptr;
pair_restart = nullptr;
int sflag;
pair = new_pair(style,trysuffix,sflag);
@ -270,7 +270,7 @@ Pair *Force::new_pair(const std::string &style, int trysuffix, int &sflag)
}
sflag = 0;
if (style == "none") return NULL;
if (style == "none") return nullptr;
if (pair_map->find(style) != pair_map->end()) {
PairCreator &pair_creator = (*pair_map)[style];
return pair_creator(lmp);
@ -278,7 +278,7 @@ Pair *Force::new_pair(const std::string &style, int trysuffix, int &sflag)
error->all(FLERR,utils::check_packages_for_style("pair",style,lmp));
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -296,7 +296,7 @@ Pair *Force::pair_creator(LAMMPS *lmp)
if exact, then style name must be exact match to word
if not exact, style name must contain word
if nsub > 0, match Nth hybrid sub-style
return NULL if no match or if nsub=0 and multiple sub-styles match
return nullptr if no match or if nsub=0 and multiple sub-styles match
------------------------------------------------------------------------- */
Pair *Force::pair_match(const std::string &word, int exact, int nsub)
@ -318,13 +318,13 @@ Pair *Force::pair_match(const std::string &word, int exact, int nsub)
if (count == 1) return hybrid->styles[iwhich];
}
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
return style name of Pair class that matches Pair ptr
called by Neighbor::print_neigh_info()
return NULL if no match
return nullptr if no match
------------------------------------------------------------------------- */
char *Force::pair_match_ptr(Pair *ptr)
@ -337,7 +337,7 @@ char *Force::pair_match_ptr(Pair *ptr)
if (ptr == hybrid->styles[i]) return hybrid->keywords[i];
}
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -381,7 +381,7 @@ Bond *Force::new_bond(const std::string &style, int trysuffix, int &sflag)
}
sflag = 0;
if (style == "none") return NULL;
if (style == "none") return nullptr;
if (bond_map->find(style) != bond_map->end()) {
BondCreator &bond_creator = (*bond_map)[style];
return bond_creator(lmp);
@ -389,7 +389,7 @@ Bond *Force::new_bond(const std::string &style, int trysuffix, int &sflag)
error->all(FLERR,utils::check_packages_for_style("bond",style,lmp));
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -414,7 +414,7 @@ Bond *Force::bond_match(const std::string &style)
for (int i = 0; i < hybrid->nstyles; i++)
if (style == hybrid->keywords[i]) return hybrid->styles[i];
}
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -458,7 +458,7 @@ Angle *Force::new_angle(const std::string &style, int trysuffix, int &sflag)
}
sflag = 0;
if (style == "none") return NULL;
if (style == "none") return nullptr;
if (angle_map->find(style) != angle_map->end()) {
AngleCreator &angle_creator = (*angle_map)[style];
return angle_creator(lmp);
@ -466,7 +466,7 @@ Angle *Force::new_angle(const std::string &style, int trysuffix, int &sflag)
error->all(FLERR,utils::check_packages_for_style("angle",style,lmp));
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -491,7 +491,7 @@ Angle *Force::angle_match(const std::string &style)
for (int i = 0; i < hybrid->nstyles; i++)
if (style == hybrid->keywords[i]) return hybrid->styles[i];
}
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -535,7 +535,7 @@ Dihedral *Force::new_dihedral(const std::string &style, int trysuffix, int &sfla
}
sflag = 0;
if (style == "none") return NULL;
if (style == "none") return nullptr;
if (dihedral_map->find(style) != dihedral_map->end()) {
DihedralCreator &dihedral_creator = (*dihedral_map)[style];
return dihedral_creator(lmp);
@ -543,7 +543,7 @@ Dihedral *Force::new_dihedral(const std::string &style, int trysuffix, int &sfla
error->all(FLERR,utils::check_packages_for_style("dihedral",style,lmp));
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -568,7 +568,7 @@ Dihedral *Force::dihedral_match(const std::string &style)
for (int i = 0; i < hybrid->nstyles; i++)
if (style == hybrid->keywords[i]) return hybrid->styles[i];
}
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -612,7 +612,7 @@ Improper *Force::new_improper(const std::string &style, int trysuffix, int &sfla
}
sflag = 0;
if (style == "none") return NULL;
if (style == "none") return nullptr;
if (improper_map->find(style) != improper_map->end()) {
ImproperCreator &improper_creator = (*improper_map)[style];
return improper_creator(lmp);
@ -620,7 +620,7 @@ Improper *Force::new_improper(const std::string &style, int trysuffix, int &sfla
error->all(FLERR,utils::check_packages_for_style("improper",style,lmp));
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -645,7 +645,7 @@ Improper *Force::improper_match(const std::string &style)
for (int i = 0; i < hybrid->nstyles; i++)
if (style == hybrid->keywords[i]) return hybrid->styles[i];
}
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -689,7 +689,7 @@ KSpace *Force::new_kspace(const std::string &style, int trysuffix, int &sflag)
}
sflag = 0;
if (style == "none") return NULL;
if (style == "none") return nullptr;
if (kspace_map->find(style) != kspace_map->end()) {
KSpaceCreator &kspace_creator = (*kspace_map)[style];
return kspace_creator(lmp);
@ -697,7 +697,7 @@ KSpace *Force::new_kspace(const std::string &style, int trysuffix, int &sflag)
error->all(FLERR,utils::check_packages_for_style("kspace",style,lmp));
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------
@ -714,14 +714,14 @@ KSpace *Force::kspace_creator(LAMMPS *lmp)
return ptr to Kspace class if matches word
if exact, then style name must be exact match to word
if not exact, style name must contain word
return NULL if no match
return nullptr if no match
------------------------------------------------------------------------- */
KSpace *Force::kspace_match(const std::string &word, int exact)
{
if (exact && (word == kspace_style)) return kspace;
else if (!exact && utils::strmatch(kspace_style,word)) return kspace;
return NULL;
return nullptr;
}
/* ----------------------------------------------------------------------