include file cleanup in some more packages

src/SPIN/fix_setforce_spin.cpp

@@ -22,7 +22,6 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_setforce_spin.h"
-#include <cstdlib>
 #include "atom.h"
 #include "update.h"
 #include "modify.h"

src/USER-CGDNA/bond_oxdna_fene.cpp

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

src/USER-CGSDK/angle_sdk.cpp

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

src/USER-CGSDK/pair_lj_sdk.cpp

@@ -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"

src/USER-CGSDK/pair_lj_sdk_coul_long.cpp

@@ -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

src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp

@@ -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;
 
 /* ---------------------------------------------------------------------- */

src/USER-DIFFRACTION/compute_saed.cpp

@@ -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"

src/USER-DIFFRACTION/compute_xrd.cpp

@@ -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"

src/USER-DIFFRACTION/fix_saed_vtk.cpp

@@ -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"

src/USER-DPD/compute_dpd.cpp

@@ -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;

src/USER-DPD/compute_dpd_atom.cpp

@@ -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;
 
 /* ---------------------------------------------------------------------- */

src/USER-DPD/fix_dpd_energy.cpp

@@ -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"
 

src/USER-DPD/fix_eos_cv.cpp

@@ -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"

src/USER-DPD/fix_eos_table.cpp

@@ -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"

src/USER-DPD/fix_eos_table_rx.cpp

@@ -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"

src/USER-DPD/fix_rx.cpp

@@ -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"

src/USER-DPD/fix_shardlow.cpp

@@ -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"
 

src/USER-DPD/nbin_ssa.cpp

@@ -21,8 +21,6 @@
 #include "update.h"
 #include "group.h"
 #include "domain.h"
-#include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 

src/USER-DPD/npair_half_bin_newton_ssa.cpp

@@ -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"

src/USER-DPD/nstencil_half_bin_2d_newton_ssa.cpp

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

src/USER-DPD/nstencil_half_bin_3d_newton_ssa.cpp

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

src/USER-DPD/pair_dpd_fdt.cpp

@@ -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;

src/USER-DPD/pair_table_rx.cpp

@@ -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"

src/USER-DRUDE/compute_temp_drude.cpp

@@ -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"
 

src/USER-DRUDE/compute_temp_drude.h

@@ -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;

src/USER-DRUDE/fix_drude.cpp

@@ -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"

src/USER-DRUDE/fix_drude_transform.cpp

@@ -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;

src/USER-DRUDE/fix_drude_transform.h

@@ -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;
 };
 
 }

src/USER-DRUDE/fix_langevin_drude.cpp

@@ -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"

src/USER-DRUDE/fix_langevin_drude.h

@@ -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;
 };

src/USER-DRUDE/pair_lj_cut_thole_long.cpp

@@ -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"

src/USER-DRUDE/pair_lj_cut_thole_long.h

@@ -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();
 };

src/USER-DRUDE/pair_thole.cpp

@@ -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"
 

src/USER-DRUDE/pair_thole.h

@@ -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();
 };

src/USER-EFF/compute_temp_eff.cpp

@@ -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"

src/USER-FEP/compute_fep.cpp

@@ -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;
 

src/USER-FEP/fix_adapt_fep.cpp

@@ -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"

src/USER-FEP/pair_coul_cut_soft.cpp

@@ -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"

src/USER-FEP/pair_coul_long_soft.cpp

@@ -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"
 

src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_class2_coul_long_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_class2_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_cut_coul_long_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_cut_soft.cpp

@@ -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"

src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp

@@ -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"
 

src/USER-FEP/pair_morse_soft.cpp

@@ -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"

src/USER-FEP/pair_tip4p_long_soft.cpp

@@ -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"
 

src/USER-MESO/fix_mvv_dpd.cpp

@@ -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;

src/USER-MESO/fix_tdpd_source.cpp

@@ -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"
 

src/USER-MESO/pair_edpd.cpp

@@ -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"

src/USER-MESO/pair_mdpd.cpp

@@ -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"

src/USER-MESO/pair_mdpd_rhosum.cpp

@@ -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;
 

src/USER-MESO/pair_tdpd.cpp

@@ -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"