more IWYU cleanup

This commit is contained in:
Axel Kohlmeyer 2020-09-02 23:42:08 -04:00
parent 047c14d17c
commit a4a1f7e848
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
36 changed files with 195 additions and 210 deletions

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@ -31,9 +31,7 @@
#include "pair.h"
#include "pair_hybrid.h"
#include "pair_hybrid_overlay.h"
#include "update.h"
#include <cctype>
#include <cstring>
using namespace LAMMPS_NS;

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@ -19,6 +19,12 @@
#include <map>
namespace LAMMPS_NS {
class Angle;
class Bond;
class Dihedral;
class Improper;
class KSpace;
class Pair;
class Force : protected Pointers {
public:
@ -47,23 +53,23 @@ class Force : protected Pointers {
int newton,newton_pair,newton_bond; // Newton's 3rd law settings
class Pair *pair;
Pair *pair;
char *pair_style;
char *pair_restart;
class Bond *bond;
Bond *bond;
char *bond_style;
class Angle *angle;
Angle *angle;
char *angle_style;
class Dihedral *dihedral;
Dihedral *dihedral;
char *dihedral_style;
class Improper *improper;
Improper *improper;
char *improper_style;
class KSpace *kspace;
KSpace *kspace;
char *kspace_style;
typedef Pair *(*PairCreator)(LAMMPS *);
@ -102,29 +108,29 @@ class Force : protected Pointers {
void setup();
void create_pair(const std::string &, int);
class Pair *new_pair(const std::string &, int, int &);
class Pair *pair_match(const std::string &, int, int nsub=0);
Pair *new_pair(const std::string &, int, int &);
Pair *pair_match(const std::string &, int, int nsub=0);
char *pair_match_ptr(Pair *);
void create_bond(const std::string &, int);
class Bond *new_bond(const std::string &, int, int &);
class Bond *bond_match(const std::string &);
Bond *new_bond(const std::string &, int, int &);
Bond *bond_match(const std::string &);
void create_angle(const std::string &, int);
class Angle *new_angle(const std::string &, int, int &);
class Angle *angle_match(const std::string &);
Angle *new_angle(const std::string &, int, int &);
Angle *angle_match(const std::string &);
void create_dihedral(const std::string &, int);
class Dihedral *new_dihedral(const std::string &, int, int &);
class Dihedral *dihedral_match(const std::string &);
Dihedral *new_dihedral(const std::string &, int, int &);
Dihedral *dihedral_match(const std::string &);
void create_improper(const std::string &, int);
class Improper *new_improper(const std::string &, int, int &);
class Improper *improper_match(const std::string &);
Improper *new_improper(const std::string &, int, int &);
Improper *improper_match(const std::string &);
void create_kspace(const std::string &, int);
class KSpace *new_kspace(const std::string &, int, int &);
class KSpace *kspace_match(const std::string &, int);
KSpace *new_kspace(const std::string &, int, int &);
KSpace *kspace_match(const std::string &, int);
void store_style(char *&, const std::string &, int);
void set_special(int, char **);

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@ -15,7 +15,6 @@
#include "atom.h"
#include "error.h"
#include "force.h"
#include "group.h"
using namespace LAMMPS_NS;

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@ -25,7 +25,6 @@
#include "dihedral.h"
#include "domain.h"
#include "error.h"
#include "fix.h"
#include "force.h"
#include "group.h"
#include "improper.h"
@ -44,7 +43,6 @@
#include "update.h"
#include "variable.h"
#include <cstdlib>
#include <cstring>
#include <errno.h>
#include <cctype>

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@ -20,32 +20,32 @@
------------------------------------------------------------------------- */
#include "min.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "angle.h"
#include "atom.h"
#include "atom_vec.h"
#include "domain.h"
#include "comm.h"
#include "update.h"
#include "modify.h"
#include "fix_minimize.h"
#include "compute.h"
#include "neighbor.h"
#include "force.h"
#include "pair.h"
#include "bond.h"
#include "angle.h"
#include "comm.h"
#include "compute.h"
#include "dihedral.h"
#include "domain.h"
#include "error.h"
#include "fix_minimize.h"
#include "force.h"
#include "improper.h"
#include "kspace.h"
#include "output.h"
#include "thermo.h"
#include "timer.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
#include "modify.h"
#include "neighbor.h"
#include "output.h"
#include "pair.h"
#include "thermo.h"
#include "timer.h"
#include "update.h"
#include <cmath>
#include <cstring>
using namespace LAMMPS_NS;
using namespace MathConst;

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@ -16,21 +16,18 @@
Erik Bitzek, FAU Erlangen-Nuernberg
------------------------------------------------------------------------- */
#include <cmath>
#include "min_fire.h"
#include "universe.h"
#include "atom.h"
#include "comm.h"
#include "error.h"
#include "force.h"
#include "update.h"
#include "output.h"
#include "timer.h"
#include "error.h"
#include "variable.h"
#include "modify.h"
#include "compute.h"
#include "domain.h"
#include "neighbor.h"
#include "comm.h"
#include "universe.h"
#include "update.h"
#include <cmath>
using namespace LAMMPS_NS;

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@ -12,13 +12,13 @@
------------------------------------------------------------------------- */
#include "ntopo.h"
#include <mpi.h>
#include "atom.h"
#include "neighbor.h"
#include "comm.h"
#include "domain.h"
#include "memory.h"
#include "error.h"
#include "memory.h"
#include "neighbor.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_angle_all.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_angle_partial.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_angle_template.h"
#include <mpi.h>
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
@ -23,7 +23,7 @@
#include "molecule.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_bond_all.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_bond_partial.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_bond_template.h"
#include <mpi.h>
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
@ -23,7 +23,7 @@
#include "molecule.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_dihedral_all.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_dihedral_partial.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_dihedral_template.h"
#include <mpi.h>
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
@ -23,7 +23,7 @@
#include "molecule.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_improper_all.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_improper_partial.h"
#include <mpi.h>
#include "atom.h"
#include "force.h"
#include "domain.h"
@ -21,7 +21,7 @@
#include "thermo.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */
#include "ntopo_improper_template.h"
#include <mpi.h>
#include "atom.h"
#include "atom_vec.h"
#include "force.h"
@ -23,7 +23,7 @@
#include "molecule.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;

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@ -12,27 +12,25 @@
------------------------------------------------------------------------- */
#include "output.h"
#include <mpi.h>
#include <cstring>
#include <string>
#include "style_dump.h"
#include "atom.h"
#include "neighbor.h"
#include "input.h"
#include "variable.h"
#include "comm.h"
#include "update.h"
#include "group.h"
#include "domain.h"
#include "thermo.h"
#include "modify.h"
#include "force.h"
#include "dump.h"
#include "write_restart.h"
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
#include "force.h"
#include "group.h"
#include "input.h"
#include "memory.h"
#include "modify.h"
#include "neighbor.h"
#include "thermo.h"
#include "update.h"
#include "variable.h"
#include "write_restart.h"
#include <cstring>
using namespace LAMMPS_NS;

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@ -15,11 +15,13 @@
#define LMP_OUTPUT_H
#include "pointers.h"
#include <map>
#include <string>
namespace LAMMPS_NS {
class Dump;
class Output : protected Pointers {
public:
bigint next; // next timestep for any kind of output
@ -39,7 +41,7 @@ class Output : protected Pointers {
bigint *last_dump; // last timestep each snapshot was output
char **var_dump; // variable name for dump frequency
int *ivar_dump; // variable index for dump frequency
class Dump **dump; // list of defined Dumps
Dump **dump; // list of defined Dumps
int restart_flag; // 1 if any restart files are written
int restart_flag_single; // 1 if single restart files are written

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@ -16,28 +16,26 @@
------------------------------------------------------------------------- */
#include "pair.h"
#include <mpi.h>
#include "atom.h"
#include "atom_masks.h"
#include "comm.h"
#include "compute.h"
#include "domain.h"
#include "error.h"
#include "force.h"
#include "kspace.h"
#include "math_const.h"
#include "memory.h"
#include "neighbor.h"
#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;

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@ -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;

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@ -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;

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@ -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;

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@ -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;

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@ -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;

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@ -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;

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@ -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

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@ -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;

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@ -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;

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@ -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"

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@ -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;

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@ -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;

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@ -23,9 +23,8 @@ ReaderStyle(native,ReaderNative)
#define LMP_READER_NATIVE_H
#include "reader.h"
#include <string>
#include <map>
#include <vector>
namespace LAMMPS_NS {

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@ -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;