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include file cleanup in some more packages

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This commit is contained in:
Axel Kohlmeyer
2019-07-10 00:50:34 -04:00
parent 93748a18ae
commit 0f691de031
55 changed files with 93 additions and 208 deletions
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1
src/SPIN/fix_setforce_spin.cpp
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@ -22,7 +22,6 @@
------------------------------------------------------------------------- */
#include "fix_setforce_spin.h"
#include <cstdlib>
#include "atom.h"
#include "update.h"
#include "modify.h"

1
src/USER-CGDNA/bond_oxdna_fene.cpp
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@ -15,6 +15,7 @@
------------------------------------------------------------------------- */
#include "bond_oxdna_fene.h"
#include <mpi.h>
#include <cmath>
#include "atom.h"
#include "neighbor.h"

2
src/USER-CGSDK/angle_sdk.cpp
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@ -19,8 +19,8 @@
------------------------------------------------------------------------- */
#include "angle_sdk.h"
#include <mpi.h>
#include <cmath>
#include <cstdlib>
#include "atom.h"
#include "neighbor.h"
#include "pair.h"

7
src/USER-CGSDK/pair_lj_sdk.cpp
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@ -17,18 +17,13 @@
------------------------------------------------------------------------- */
#include "pair_lj_sdk.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "update.h"
#include "integrate.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"

8
src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
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@ -17,9 +17,8 @@
------------------------------------------------------------------------- */
#include "pair_lj_sdk_coul_long.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "atom.h"
#include "comm.h"
@ -27,10 +26,6 @@
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "update.h"
#include "integrate.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
@ -38,7 +33,6 @@
#include "lj_sdk_common.h"
using namespace LAMMPS_NS;
using namespace MathConst;
using namespace LJSDKParms;
#define EWALD_F 1.12837917

9
src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp
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@ -18,26 +18,17 @@
#include "pair_lj_sdk_coul_msm.h"
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "update.h"
#include "integrate.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include "lj_sdk_common.h"
using namespace LAMMPS_NS;
using namespace MathConst;
using namespace LJSDKParms;
/* ---------------------------------------------------------------------- */

3
src/USER-DIFFRACTION/compute_saed.cpp
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@ -15,13 +15,12 @@
Contributing authors: Shawn Coleman & Douglas Spearot (Arkansas)
------------------------------------------------------------------------- */
#include "compute_saed.h"
#include <mpi.h>
#include <cmath>
#include <cstdlib>
#include <cstdio>
#include <cstring>
#include "math_const.h"
#include "compute_saed.h"
#include "compute_saed_consts.h"
#include "atom.h"
#include "comm.h"

3
src/USER-DIFFRACTION/compute_xrd.cpp
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@ -16,13 +16,12 @@
Updated: 06/17/2015-2
------------------------------------------------------------------------- */
#include "compute_xrd.h"
#include <mpi.h>
#include <cmath>
#include <cstdlib>
#include <cstdio>
#include <cstring>
#include "math_const.h"
#include "compute_xrd.h"
#include "compute_xrd_consts.h"
#include "atom.h"
#include "comm.h"

5
src/USER-DIFFRACTION/fix_saed_vtk.cpp
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@ -16,17 +16,14 @@
Incorporating SAED: Shawn Coleman (Arkansas)
------------------------------------------------------------------------- */
#include "fix_saed_vtk.h"
#include <cstdlib>
#include <cstring>
#include <cmath>
#include "fix_saed_vtk.h"
#include "update.h"
#include "modify.h"
#include "compute.h"
#include "compute_saed.h"
#include "group.h"
#include "input.h"
#include "variable.h"
#include "memory.h"
#include "error.h"
#include "force.h"

5
src/USER-DPD/compute_dpd.cpp
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@ -15,13 +15,10 @@
Contributing author: James Larentzos (U.S. Army Research Laboratory)
------------------------------------------------------------------------- */
#include <mpi.h>
#include "compute_dpd.h"
#include <mpi.h>
#include "atom.h"
#include "update.h"
#include "force.h"
#include "domain.h"
#include "group.h"
#include "error.h"
using namespace LAMMPS_NS;

8
src/USER-DPD/compute_dpd_atom.cpp
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@ -15,21 +15,15 @@
Contributing author: James Larentzos (U.S. Army Research Laboratory)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "compute_dpd_atom.h"
#include <cstring>
#include "atom.h"
#include "update.h"
#include "modify.h"
#include "domain.h"
#include "group.h"
#include "memory.h"
#include "error.h"
#include "comm.h"
#include <vector>
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */

4
src/USER-DPD/fix_dpd_energy.cpp
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@ -11,14 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstdio>
#include <cstring>
#include "fix_dpd_energy.h"
#include "atom.h"
#include "force.h"
#include "update.h"
#include "respa.h"
#include "modify.h"
#include "error.h"
#include "pair_dpd_fdt_energy.h"

2
src/USER-DPD/fix_eos_cv.cpp
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@ -15,8 +15,6 @@
Contributing author: James Larentzos (U.S. Army Research Laboratory)
------------------------------------------------------------------------- */
#include <cstdlib>
#include <cstring>
#include "fix_eos_cv.h"
#include "atom.h"
#include "error.h"

3
src/USER-DPD/fix_eos_table.cpp
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@ -15,9 +15,10 @@
Contributing author: James Larentzos (U.S. Army Research Laboratory)
------------------------------------------------------------------------- */
#include "fix_eos_table.h"
#include <mpi.h>
#include <cstdlib>
#include <cstring>
#include "fix_eos_table.h"
#include "atom.h"
#include "error.h"
#include "force.h"

3
src/USER-DPD/fix_eos_table_rx.cpp
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@ -15,10 +15,11 @@
Contributing author: James Larentzos (U.S. Army Research Laboratory)
------------------------------------------------------------------------- */
#include "fix_eos_table_rx.h"
#include <mpi.h>
#include <cstdlib>
#include <cstring>
#include <cmath>
#include "fix_eos_table_rx.h"
#include "atom.h"
#include "error.h"
#include "force.h"

4
src/USER-DPD/fix_rx.cpp
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@ -11,12 +11,12 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstdio>
#include "fix_rx.h"
#include <mpi.h>
#include <cstdlib>
#include <cstring>
#include <cmath>
#include <cfloat> // DBL_EPSILON
#include "fix_rx.h"
#include "atom.h"
#include "error.h"
#include "group.h"

5
src/USER-DPD/fix_shardlow.cpp
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@ -33,15 +33,13 @@
135, 204105.
------------------------------------------------------------------------- */
#include <cstdio>
#include "fix_shardlow.h"
#include <cstdlib>
#include <cstring>
#include <cmath>
#include "fix_shardlow.h"
#include "atom.h"
#include "force.h"
#include "update.h"
#include "respa.h"
#include "error.h"
#include "atom_vec.h"
#include "comm.h"
@ -53,7 +51,6 @@
#include "modify.h"
#include "pair_dpd_fdt.h"
#include "pair_dpd_fdt_energy.h"
#include "pair.h"
#include "npair_half_bin_newton_ssa.h"
#include "citeme.h"

2
src/USER-DPD/nbin_ssa.cpp
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@ -21,8 +21,6 @@
#include "update.h"
#include "group.h"
#include "domain.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;

2
src/USER-DPD/npair_half_bin_newton_ssa.cpp
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@ -17,7 +17,6 @@
------------------------------------------------------------------------- */
#include "npair_half_bin_newton_ssa.h"
#include "neighbor.h"
#include "nstencil_ssa.h"
#include "nbin_ssa.h"
#include "neigh_list.h"
@ -25,7 +24,6 @@
#include "atom_vec.h"
#include "molecule.h"
#include "domain.h"
#include "group.h"
#include "memory.h"
#include "my_page.h"
#include "error.h"

2
src/USER-DPD/nstencil_half_bin_2d_newton_ssa.cpp
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@ -17,8 +17,6 @@
------------------------------------------------------------------------- */
#include "nstencil_half_bin_2d_newton_ssa.h"
#include "neighbor.h"
#include "neigh_list.h"
using namespace LAMMPS_NS;

2
src/USER-DPD/nstencil_half_bin_3d_newton_ssa.cpp
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@ -17,8 +17,6 @@
------------------------------------------------------------------------- */
#include "nstencil_half_bin_3d_newton_ssa.h"
#include "neighbor.h"
#include "neigh_list.h"
using namespace LAMMPS_NS;

7
src/USER-DPD/pair_dpd_fdt.cpp
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@ -15,23 +15,20 @@
Contributing author: James Larentzos (U.S. Army Research Laboratory)
------------------------------------------------------------------------- */
#include "pair_dpd_fdt.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "update.h"
#include "fix.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "random_mars.h"
#include "memory.h"
#include "modify.h"
#include "pair_dpd_fdt.h"
#include "error.h"
using namespace LAMMPS_NS;

4
src/USER-DPD/pair_table_rx.cpp
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@ -15,14 +15,12 @@
Contributing author: Paul Crozier (SNL)
------------------------------------------------------------------------- */
#include "pair_table_rx.h"
#include <mpi.h>
#include <cmath>
#include <cstdlib>
#include <cstring>
#include "pair_table_rx.h"
#include "atom.h"
#include "force.h"
#include "comm.h"
#include "neigh_list.h"
#include "memory.h"
#include "error.h"

10
src/USER-DRUDE/compute_temp_drude.cpp
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@ -11,19 +11,15 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <mpi.h>
#include <cstdlib>
#include <cstring>
#include "compute_temp_drude.h"
#include <mpi.h>
#include <cstring>
#include "atom.h"
#include "update.h"
#include "force.h"
#include "group.h"
#include "modify.h"
#include "fix.h"
#include "fix_drude.h"
#include "domain.h"
#include "lattice.h"
#include "memory.h"
#include "error.h"
#include "comm.h"

3
src/USER-DRUDE/compute_temp_drude.h
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@ -21,7 +21,6 @@ ComputeStyle(temp/drude,ComputeTempDrude)
#define LMP_COMPUTE_TEMP_DRUDE_H
#include "compute.h"
#include "fix_drude.h"
namespace LAMMPS_NS {
@ -37,7 +36,7 @@ class ComputeTempDrude : public Compute {
private:
int fix_dof;
FixDrude * fix_drude;
class FixDrude * fix_drude;
char *id_temp;
class Compute *temperature;
bigint dof_core, dof_drude;

5
src/USER-DRUDE/fix_drude.cpp
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@ -11,9 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstring>
#include <cstdlib>
#include "fix_drude.h"
#include <mpi.h>
#include <cstring>
#include <map>
#include "atom.h"
#include "comm.h"
#include "modify.h"

4
src/USER-DRUDE/fix_drude_transform.cpp
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@ -12,15 +12,15 @@
------------------------------------------------------------------------- */
/** Fix Drude Transform ******************************************************/
#include "fix_drude_transform.h"
#include <cmath>
#include <cstring>
#include "fix_drude_transform.h"
#include "fix_drude.h"
#include "atom.h"
#include "domain.h"
#include "comm.h"
#include "error.h"
#include "modify.h"
#include "force.h"
using namespace LAMMPS_NS;
using namespace FixConst;

3
src/USER-DRUDE/fix_drude_transform.h
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@ -22,7 +22,6 @@ FixStyle(drude/transform/inverse,FixDrudeTransform<true>)
#define LMP_FIX_DRUDE_TRANSFORM_H
#include "fix.h"
#include "fix_drude.h"
namespace LAMMPS_NS {
@ -42,7 +41,7 @@ class FixDrudeTransform : public Fix {
void unpack_forward_comm(int n, int first, double *buf);
protected:
double * mcoeff;
FixDrude * fix_drude;
class FixDrude * fix_drude;
};
}

7
src/USER-DRUDE/fix_langevin_drude.cpp
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@ -11,17 +11,16 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstring>
#include <cstdlib>
#include <cmath>
#include "fix_langevin_drude.h"
#include <cstring>
#include <cmath>
#include "fix_drude.h"
#include "atom.h"
#include "force.h"
#include "comm.h"
#include "input.h"
#include "variable.h"
#include "random_mars.h"
#include "group.h"
#include "update.h"
#include "modify.h"
#include "compute.h"

3
src/USER-DRUDE/fix_langevin_drude.h
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@ -21,7 +21,6 @@ FixStyle(langevin/drude,FixLangevinDrude)
#define LMP_FIX_LANGEVIN_DRUDE_H
#include "fix.h"
#include "fix_drude.h"
namespace LAMMPS_NS {
@ -51,7 +50,7 @@ class FixLangevinDrude : public Fix {
class RanMars *random_core, *random_drude;
int zero;
bigint ncore;
FixDrude * fix_drude;
class FixDrude * fix_drude;
class Compute *temperature;
char *id_temp;
};

11
src/USER-DRUDE/pair_lj_cut_thole_long.cpp
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@ -15,20 +15,17 @@
Contributing author: Paul Crozier (SNL)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_thole_long.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "fix_drude.h"
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "integrate.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"

3
src/USER-DRUDE/pair_lj_cut_thole_long.h
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@ -21,7 +21,6 @@ PairStyle(lj/cut/thole/long,PairLJCutTholeLong)
#define LMP_PAIR_LJ_CUT_THOLE_LONG_H
#include "pair.h"
#include "fix_drude.h"
namespace LAMMPS_NS {
@ -58,7 +57,7 @@ class PairLJCutTholeLong : public Pair {
double cut_global;
double **cut,**scale;
double **polar,**thole,**ascreen;
FixDrude *fix_drude;
class FixDrude *fix_drude;
virtual void allocate();
};

9
src/USER-DRUDE/pair_thole.cpp
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@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_thole.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
@ -24,7 +23,7 @@
#include "memory.h"
#include "error.h"
#include "fix.h"
#include "fix_store.h"
#include "fix_drude.h"
#include "domain.h"
#include "modify.h"

3
src/USER-DRUDE/pair_thole.h
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@ -21,7 +21,6 @@ PairStyle(thole,PairThole)
#define LMP_PAIR_THOLE_H
#include "pair.h"
#include "fix_drude.h"
namespace LAMMPS_NS {
@ -46,7 +45,7 @@ class PairThole : public Pair {
double cut_global;
double **cut,**scale;
double **polar,**thole,**ascreen;
FixDrude * fix_drude;
class FixDrude * fix_drude;
virtual void allocate();
};

3
src/USER-EFF/compute_temp_eff.cpp
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@ -15,9 +15,8 @@
Contributing author: Andres Jaramillo-Botero (Caltech)
------------------------------------------------------------------------- */
#include <mpi.h>
#include <cmath>
#include "compute_temp_eff.h"
#include <mpi.h>
#include "atom.h"
#include "update.h"
#include "force.h"

3
src/USER-FEP/compute_fep.cpp
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@ -15,7 +15,7 @@
Contributing author: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cstdlib>
#include "compute_fep.h"
#include <cstring>
#include <cmath>
#include <mpi.h>
@ -34,7 +34,6 @@
#include "timer.h"
#include "memory.h"
#include "error.h"
#include "compute_fep.h"
using namespace LAMMPS_NS;

4
src/USER-FEP/fix_adapt_fep.cpp
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@ -15,10 +15,8 @@
Charges by type and after option: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstring>
#include <cstdlib>
#include "fix_adapt_fep.h"
#include <cstring>
#include "atom.h"
#include "update.h"
#include "group.h"

7
src/USER-FEP/pair_coul_cut_soft.cpp
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@ -15,11 +15,10 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_cut_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

9
src/USER-FEP/pair_coul_long_soft.cpp
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@ -16,19 +16,16 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_coul_long_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "update.h"
#include "integrate.h"
#include "memory.h"
#include "error.h"

8
src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
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@ -16,17 +16,15 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_charmm_coul_long_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "neighbor.h"
#include "neigh_list.h"

7
src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
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@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_coul_cut_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

7
src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
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@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_coul_long_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

7
src/USER-FEP/pair_lj_class2_soft.cpp
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@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

7
src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
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@ -15,11 +15,10 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_cut_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

8
src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
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@ -16,17 +16,15 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_coul_long_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "neighbor.h"
#include "neigh_list.h"

8
src/USER-FEP/pair_lj_cut_soft.cpp
View File

@ -16,11 +16,10 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"
@ -28,7 +27,6 @@
#include "neigh_list.h"
#include "neigh_request.h"
#include "update.h"
#include "integrate.h"
#include "respa.h"
#include "math_const.h"
#include "memory.h"

11
src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
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@ -17,23 +17,18 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_cut_tip4p_long_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "angle.h"
#include "atom.h"
#include "bond.h"
#include "comm.h"
#include "domain.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "respa.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "memory.h"
#include "error.h"

7
src/USER-FEP/pair_morse_soft.cpp
View File

@ -11,11 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_morse_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "force.h"

11
src/USER-FEP/pair_tip4p_long_soft.cpp
View File

@ -17,23 +17,18 @@
Soft-core version: Agilio Padua (Univ Blaise Pascal & CNRS)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_tip4p_long_soft.h"
#include <mpi.h>
#include <cmath>
#include <cstring>
#include "angle.h"
#include "atom.h"
#include "bond.h"
#include "comm.h"
#include "domain.h"
#include "force.h"
#include "kspace.h"
#include "update.h"
#include "respa.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "memory.h"
#include "error.h"

4
src/USER-MESO/fix_mvv_dpd.cpp
View File

@ -20,13 +20,11 @@
Email: zhen_li@brown.edu
------------------------------------------------------------------------- */
#include <cstdio>
#include <cstring>
#include "fix_mvv_dpd.h"
#include <cstring>
#include "atom.h"
#include "force.h"
#include "update.h"
#include "respa.h"
#include "error.h"
using namespace LAMMPS_NS;

11
src/USER-MESO/fix_tdpd_source.cpp
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@ -11,17 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstdlib>
#include <cstring>
#include "fix_tdpd_source.h"
#include <cmath>
#include <cstring>
#include "atom.h"
#include "comm.h"
#include "update.h"
#include "modify.h"
#include "domain.h"
#include "lattice.h"
#include "input.h"
#include "variable.h"
#include "error.h"
#include "force.h"

6
src/USER-MESO/pair_edpd.cpp
View File

@ -16,14 +16,12 @@
Email: zhen_li@brown.edu
------------------------------------------------------------------------- */
#include "pair_edpd.h"
#include <mpi.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <ctime>
#include <cstring>
#include "pair_edpd.h"
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "update.h"
#include "force.h"

8
src/USER-MESO/pair_mdpd.cpp
View File

@ -16,13 +16,11 @@
Email: zhen_li@brown.edu
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <ctime>
#include "pair_mdpd.h"
#include <mpi.h>
#include <cmath>
#include <ctime>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "update.h"
#include "force.h"

5
src/USER-MESO/pair_mdpd_rhosum.cpp
View File

@ -19,9 +19,8 @@
Contributing author: Zhen Li (Brown University)
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdlib>
#include "pair_mdpd_rhosum.h"
#include <cmath>
#include "atom.h"
#include "force.h"
#include "comm.h"
@ -30,8 +29,6 @@
#include "memory.h"
#include "error.h"
#include "neighbor.h"
#include "update.h"
#include "domain.h"
using namespace LAMMPS_NS;

7
src/USER-MESO/pair_tdpd.cpp
View File

@ -16,13 +16,10 @@
Email: zhen_li@brown.edu
------------------------------------------------------------------------- */
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <ctime>
#include "pair_tdpd.h"
#include <cmath>
#include <ctime>
#include "atom.h"
#include "atom_vec.h"
#include "comm.h"
#include "update.h"
#include "force.h"