forked from lijiext/lammps
more IWYU cleanup
This commit is contained in:
parent
047c14d17c
commit
a4a1f7e848
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@ -31,9 +31,7 @@
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#include "pair.h"
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#include "pair_hybrid.h"
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#include "pair_hybrid_overlay.h"
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#include "update.h"
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#include <cctype>
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#include <cstring>
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using namespace LAMMPS_NS;
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42
src/force.h
42
src/force.h
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@ -19,6 +19,12 @@
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#include <map>
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namespace LAMMPS_NS {
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class Angle;
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class Bond;
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class Dihedral;
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class Improper;
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class KSpace;
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class Pair;
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class Force : protected Pointers {
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public:
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@ -47,23 +53,23 @@ class Force : protected Pointers {
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int newton,newton_pair,newton_bond; // Newton's 3rd law settings
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class Pair *pair;
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Pair *pair;
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char *pair_style;
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char *pair_restart;
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class Bond *bond;
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Bond *bond;
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char *bond_style;
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class Angle *angle;
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Angle *angle;
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char *angle_style;
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class Dihedral *dihedral;
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Dihedral *dihedral;
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char *dihedral_style;
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class Improper *improper;
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Improper *improper;
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char *improper_style;
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class KSpace *kspace;
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KSpace *kspace;
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char *kspace_style;
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typedef Pair *(*PairCreator)(LAMMPS *);
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@ -102,29 +108,29 @@ class Force : protected Pointers {
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void setup();
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void create_pair(const std::string &, int);
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class Pair *new_pair(const std::string &, int, int &);
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class Pair *pair_match(const std::string &, int, int nsub=0);
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Pair *new_pair(const std::string &, int, int &);
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Pair *pair_match(const std::string &, int, int nsub=0);
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char *pair_match_ptr(Pair *);
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void create_bond(const std::string &, int);
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class Bond *new_bond(const std::string &, int, int &);
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class Bond *bond_match(const std::string &);
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Bond *new_bond(const std::string &, int, int &);
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Bond *bond_match(const std::string &);
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void create_angle(const std::string &, int);
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class Angle *new_angle(const std::string &, int, int &);
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class Angle *angle_match(const std::string &);
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Angle *new_angle(const std::string &, int, int &);
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Angle *angle_match(const std::string &);
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void create_dihedral(const std::string &, int);
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class Dihedral *new_dihedral(const std::string &, int, int &);
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class Dihedral *dihedral_match(const std::string &);
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Dihedral *new_dihedral(const std::string &, int, int &);
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Dihedral *dihedral_match(const std::string &);
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void create_improper(const std::string &, int);
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class Improper *new_improper(const std::string &, int, int &);
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class Improper *improper_match(const std::string &);
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Improper *new_improper(const std::string &, int, int &);
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Improper *improper_match(const std::string &);
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void create_kspace(const std::string &, int);
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class KSpace *new_kspace(const std::string &, int, int &);
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class KSpace *kspace_match(const std::string &, int);
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KSpace *new_kspace(const std::string &, int, int &);
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KSpace *kspace_match(const std::string &, int);
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void store_style(char *&, const std::string &, int);
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void set_special(int, char **);
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@ -15,7 +15,6 @@
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#include "atom.h"
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#include "error.h"
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#include "force.h"
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#include "group.h"
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using namespace LAMMPS_NS;
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@ -25,7 +25,6 @@
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#include "dihedral.h"
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#include "domain.h"
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#include "error.h"
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#include "fix.h"
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#include "force.h"
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#include "group.h"
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#include "improper.h"
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@ -44,7 +43,6 @@
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#include "update.h"
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#include "variable.h"
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#include <cstdlib>
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#include <cstring>
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#include <errno.h>
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#include <cctype>
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36
src/min.cpp
36
src/min.cpp
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@ -20,32 +20,32 @@
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------------------------------------------------------------------------- */
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#include "min.h"
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#include <mpi.h>
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#include <cmath>
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#include <cstring>
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#include "angle.h"
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#include "atom.h"
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#include "atom_vec.h"
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#include "domain.h"
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#include "comm.h"
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#include "update.h"
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#include "modify.h"
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#include "fix_minimize.h"
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#include "compute.h"
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#include "neighbor.h"
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#include "force.h"
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#include "pair.h"
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#include "bond.h"
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#include "angle.h"
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#include "comm.h"
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#include "compute.h"
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#include "dihedral.h"
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#include "domain.h"
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#include "error.h"
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#include "fix_minimize.h"
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#include "force.h"
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#include "improper.h"
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#include "kspace.h"
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#include "output.h"
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#include "thermo.h"
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#include "timer.h"
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#include "math_const.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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#include "modify.h"
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#include "neighbor.h"
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#include "output.h"
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#include "pair.h"
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#include "thermo.h"
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#include "timer.h"
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#include "update.h"
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#include <cmath>
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#include <cstring>
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using namespace LAMMPS_NS;
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using namespace MathConst;
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@ -16,21 +16,18 @@
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Erik Bitzek, FAU Erlangen-Nuernberg
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------------------------------------------------------------------------- */
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#include <cmath>
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#include "min_fire.h"
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#include "universe.h"
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#include "atom.h"
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#include "comm.h"
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#include "error.h"
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#include "force.h"
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#include "update.h"
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#include "output.h"
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#include "timer.h"
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#include "error.h"
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#include "variable.h"
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#include "modify.h"
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#include "compute.h"
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#include "domain.h"
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#include "neighbor.h"
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#include "comm.h"
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#include "universe.h"
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#include "update.h"
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#include <cmath>
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using namespace LAMMPS_NS;
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@ -12,13 +12,13 @@
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------------------------------------------------------------------------- */
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#include "ntopo.h"
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#include <mpi.h>
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#include "atom.h"
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#include "neighbor.h"
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#include "comm.h"
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#include "domain.h"
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#include "memory.h"
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#include "error.h"
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#include "memory.h"
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#include "neighbor.h"
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using namespace LAMMPS_NS;
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@ -12,7 +12,7 @@
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------------------------------------------------------------------------- */
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#include "ntopo_angle_all.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_angle_partial.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_angle_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.h"
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#include "molecule.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_bond_all.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_bond_partial.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_bond_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.h"
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#include "molecule.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_dihedral_all.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_dihedral_partial.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_dihedral_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.h"
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#include "molecule.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_improper_all.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_improper_partial.h"
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#include <mpi.h>
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#include "atom.h"
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#include "force.h"
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#include "domain.h"
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#include "thermo.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "ntopo_improper_template.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_vec.h"
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#include "force.h"
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#include "molecule.h"
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#include "memory.h"
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#include "error.h"
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#include "fmt/format.h"
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using namespace LAMMPS_NS;
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------------------------------------------------------------------------- */
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#include "output.h"
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#include <mpi.h>
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#include <cstring>
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#include <string>
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#include "style_dump.h"
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#include "atom.h"
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#include "neighbor.h"
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#include "input.h"
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#include "variable.h"
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#include "comm.h"
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#include "update.h"
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#include "group.h"
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#include "domain.h"
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#include "thermo.h"
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#include "modify.h"
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#include "force.h"
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#include "dump.h"
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#include "write_restart.h"
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#include "memory.h"
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#include "error.h"
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#include "utils.h"
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#include "fmt/format.h"
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#include "force.h"
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#include "group.h"
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#include "input.h"
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#include "memory.h"
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#include "modify.h"
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#include "neighbor.h"
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#include "thermo.h"
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#include "update.h"
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#include "variable.h"
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#include "write_restart.h"
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#include <cstring>
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using namespace LAMMPS_NS;
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#define LMP_OUTPUT_H
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#include "pointers.h"
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#include <map>
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#include <string>
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namespace LAMMPS_NS {
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class Dump;
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class Output : protected Pointers {
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public:
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bigint next; // next timestep for any kind of output
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bigint *last_dump; // last timestep each snapshot was output
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char **var_dump; // variable name for dump frequency
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int *ivar_dump; // variable index for dump frequency
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class Dump **dump; // list of defined Dumps
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Dump **dump; // list of defined Dumps
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int restart_flag; // 1 if any restart files are written
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int restart_flag_single; // 1 if single restart files are written
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32
src/pair.cpp
32
src/pair.cpp
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------------------------------------------------------------------------- */
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#include "pair.h"
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#include <mpi.h>
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#include "atom.h"
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#include "atom_masks.h"
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#include "comm.h"
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#include "compute.h"
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#include "domain.h"
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#include "error.h"
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#include "force.h"
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#include "kspace.h"
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#include "math_const.h"
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#include "memory.h"
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#include "neighbor.h"
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#include "suffix.h"
|
||||
#include "update.h"
|
||||
|
||||
#include <cfloat> // IWYU pragma: keep
|
||||
#include <climits> // IWYU pragma: keep
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include <ctime>
|
||||
#include <string>
|
||||
#include "atom.h"
|
||||
#include "neighbor.h"
|
||||
#include "domain.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
#include "kspace.h"
|
||||
#include "compute.h"
|
||||
#include "suffix.h"
|
||||
#include "atom_masks.h"
|
||||
#include "memory.h"
|
||||
#include "math_const.h"
|
||||
#include "error.h"
|
||||
#include "update.h"
|
||||
#include "utils.h"
|
||||
#include "fmt/format.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
using namespace MathConst;
|
||||
|
|
|
@ -17,22 +17,21 @@
|
|||
|
||||
#include "pair_coul_streitz.h"
|
||||
|
||||
#include <cmath>
|
||||
|
||||
#include <cstring>
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "error.h"
|
||||
#include "force.h"
|
||||
#include "kspace.h"
|
||||
#include "neighbor.h"
|
||||
#include "neigh_list.h"
|
||||
#include "neigh_request.h"
|
||||
#include "math_const.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
|
||||
|
||||
#include "neigh_list.h"
|
||||
#include "neigh_request.h"
|
||||
#include "neighbor.h"
|
||||
#include "potential_file_reader.h"
|
||||
#include "tokenizer.h"
|
||||
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
using namespace MathConst;
|
||||
|
|
|
@ -12,12 +12,12 @@
|
|||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "pair_hybrid_overlay.h"
|
||||
#include <cstring>
|
||||
#include <cctype>
|
||||
|
||||
#include "atom.h"
|
||||
#include "force.h"
|
||||
#include "error.h"
|
||||
|
||||
#include <cstring>
|
||||
#include <cctype>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -17,13 +17,12 @@
|
|||
|
||||
#include "pair_zero.h"
|
||||
|
||||
#include <cstring>
|
||||
#include "atom.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
|
||||
#include <cstring>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -15,17 +15,13 @@
|
|||
Contributing authors: Richard Berger (Temple U)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lammps.h"
|
||||
#include "force.h"
|
||||
#include "error.h"
|
||||
#include "comm.h"
|
||||
#include "potential_file_reader.h"
|
||||
#include "update.h"
|
||||
#include "utils.h"
|
||||
#include "tokenizer.h"
|
||||
#include "fmt/format.h"
|
||||
|
||||
#include <cstring>
|
||||
#include "comm.h"
|
||||
#include "error.h"
|
||||
#include "text_file_reader.h"
|
||||
#include "tokenizer.h"
|
||||
#include "update.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -18,14 +18,13 @@
|
|||
#ifndef LMP_POTENTIAL_FILE_READER_H
|
||||
#define LMP_POTENTIAL_FILE_READER_H
|
||||
|
||||
#include <string>
|
||||
|
||||
#include "pointers.h"
|
||||
#include "tokenizer.h"
|
||||
#include "text_file_reader.h"
|
||||
|
||||
namespace LAMMPS_NS
|
||||
{
|
||||
class TextFileReader;
|
||||
|
||||
class PotentialFileReader : protected Pointers {
|
||||
protected:
|
||||
TextFileReader *reader;
|
||||
|
|
|
@ -16,18 +16,18 @@
|
|||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "procmap.h"
|
||||
#include <mpi.h>
|
||||
|
||||
#include "comm.h"
|
||||
#include "domain.h"
|
||||
#include "error.h"
|
||||
#include "math_extra.h"
|
||||
#include "memory.h"
|
||||
#include "universe.h"
|
||||
|
||||
#include <cmath>
|
||||
#include <cstring>
|
||||
#include <map>
|
||||
#include <string>
|
||||
#include <utility>
|
||||
#include "universe.h"
|
||||
#include "comm.h"
|
||||
#include "domain.h"
|
||||
#include "math_extra.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -12,11 +12,12 @@
|
|||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "rcb.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
|
||||
#include "irregular.h"
|
||||
#include "memory.h"
|
||||
|
||||
#include <cstring>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
#define MYHUGE 1.0e30
|
||||
|
|
|
@ -16,34 +16,33 @@
|
|||
// before lmptype.h can set flags to insure it is done correctly
|
||||
|
||||
#include "read_data.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include <string>
|
||||
#include <cctype>
|
||||
|
||||
#include "angle.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "atom_vec_ellipsoid.h"
|
||||
#include "atom_vec_line.h"
|
||||
#include "atom_vec_tri.h"
|
||||
#include "molecule.h"
|
||||
#include "group.h"
|
||||
#include "bond.h"
|
||||
#include "comm.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
#include "dihedral.h"
|
||||
#include "domain.h"
|
||||
#include "error.h"
|
||||
#include "fix.h"
|
||||
#include "force.h"
|
||||
#include "pair.h"
|
||||
#include "domain.h"
|
||||
#include "bond.h"
|
||||
#include "angle.h"
|
||||
#include "dihedral.h"
|
||||
#include "group.h"
|
||||
#include "improper.h"
|
||||
#include "special.h"
|
||||
#include "irregular.h"
|
||||
#include "error.h"
|
||||
#include "memory.h"
|
||||
#include "utils.h"
|
||||
#include "fmt/format.h"
|
||||
#include "modify.h"
|
||||
#include "molecule.h"
|
||||
#include "pair.h"
|
||||
#include "special.h"
|
||||
#include "update.h"
|
||||
|
||||
#include <string>
|
||||
#include <cctype>
|
||||
#include <cstring>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -20,22 +20,19 @@
|
|||
// before lmptype.h can set flags to insure it is done correctly
|
||||
|
||||
#include "read_dump.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include <string>
|
||||
#include "reader.h"
|
||||
#include "style_reader.h"
|
||||
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "update.h"
|
||||
#include "domain.h"
|
||||
#include "comm.h"
|
||||
#include "force.h"
|
||||
#include "irregular.h"
|
||||
#include "domain.h"
|
||||
#include "error.h"
|
||||
#include "irregular.h"
|
||||
#include "memory.h"
|
||||
#include "utils.h"
|
||||
#include "fmt/format.h"
|
||||
#include "reader.h"
|
||||
#include "style_reader.h"
|
||||
#include "update.h"
|
||||
|
||||
#include <cstring>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -12,31 +12,30 @@
|
|||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "read_restart.h"
|
||||
#include <mpi.h>
|
||||
#include <cstring>
|
||||
#include <dirent.h>
|
||||
|
||||
#include "angle.h"
|
||||
#include "atom.h"
|
||||
#include "atom_vec.h"
|
||||
#include "domain.h"
|
||||
#include "comm.h"
|
||||
#include "irregular.h"
|
||||
#include "update.h"
|
||||
#include "modify.h"
|
||||
#include "fix_read_restart.h"
|
||||
#include "group.h"
|
||||
#include "force.h"
|
||||
#include "pair.h"
|
||||
#include "bond.h"
|
||||
#include "angle.h"
|
||||
#include "comm.h"
|
||||
#include "dihedral.h"
|
||||
#include "domain.h"
|
||||
#include "error.h"
|
||||
#include "fix_read_restart.h"
|
||||
#include "force.h"
|
||||
#include "group.h"
|
||||
#include "improper.h"
|
||||
#include "irregular.h"
|
||||
#include "memory.h"
|
||||
#include "modify.h"
|
||||
#include "mpiio.h"
|
||||
#include "pair.h"
|
||||
#include "special.h"
|
||||
#include "universe.h"
|
||||
#include "mpiio.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
#include "utils.h"
|
||||
#include "fmt/format.h"
|
||||
#include "update.h"
|
||||
|
||||
#include <cstring>
|
||||
#include <dirent.h>
|
||||
|
||||
#include "lmprestart.h"
|
||||
|
||||
|
|
|
@ -12,10 +12,10 @@
|
|||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "reader.h"
|
||||
#include <cstring>
|
||||
|
||||
#include "error.h"
|
||||
#include "utils.h"
|
||||
#include "fmt/format.h"
|
||||
|
||||
#include <cstring>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -12,13 +12,17 @@
|
|||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "reader_native.h"
|
||||
|
||||
#include "atom.h"
|
||||
#include "error.h"
|
||||
#include "memory.h"
|
||||
#include "tokenizer.h"
|
||||
#include "utils.h"
|
||||
|
||||
#include <cstring>
|
||||
#include <cstdlib>
|
||||
#include "atom.h"
|
||||
#include "memory.h"
|
||||
#include "error.h"
|
||||
#include "utils.h"
|
||||
#include "tokenizer.h"
|
||||
#include <utility>
|
||||
#include <vector>
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
|
@ -23,9 +23,8 @@ ReaderStyle(native,ReaderNative)
|
|||
#define LMP_READER_NATIVE_H
|
||||
|
||||
#include "reader.h"
|
||||
#include <string>
|
||||
|
||||
#include <map>
|
||||
#include <vector>
|
||||
|
||||
namespace LAMMPS_NS {
|
||||
|
||||
|
|
|
@ -15,14 +15,11 @@
|
|||
Contributing authors: Richard Berger (Temple U)
|
||||
------------------------------------------------------------------------- */
|
||||
|
||||
#include "lammps.h"
|
||||
#include "error.h"
|
||||
#include "table_file_reader.h"
|
||||
#include "utils.h"
|
||||
#include "tokenizer.h"
|
||||
#include "fmt/format.h"
|
||||
|
||||
#include <cstring>
|
||||
#include "error.h"
|
||||
#include "text_file_reader.h"
|
||||
#include "tokenizer.h"
|
||||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
|
Loading…
Reference in New Issue