more include cleanup and IWYU tweaks

src/KIM/kim_param.cpp

@@ -57,7 +57,6 @@
 
 #include "kim_param.h"
 
-#include "comm.h"
 #include "error.h"
 #include "fix_store_kim.h"
 #include "force.h"

src/KIM/pair_kim.cpp

@@ -55,21 +55,20 @@
    Designed for use with the kim-api-2.0.2 (and newer) package
 ------------------------------------------------------------------------- */
 #include "pair_kim.h"
-#include <cstring>
 
-
-#include <sstream>
 #include "atom.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "update.h"
-#include "memory.h"
-#include "domain.h"
 
-#include "error.h"
+#include <cstring>
+#include <sstream>
 
 using namespace LAMMPS_NS;
 

src/MISC/fix_orient_fcc.cpp

@@ -16,25 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_orient_fcc.h"
-#include <cmath>
-#include <cstring>
-
-
 
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "neighbor.h"
+#include "citeme.h"
+#include "comm.h"
+#include "error.h"
+#include "math_const.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "comm.h"
-#include "force.h"
-#include "math_const.h"
-#include "citeme.h"
-#include "memory.h"
-#include "error.h"
-
+#include "neighbor.h"
+#include "respa.h"
+#include "update.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/MLIAP/mliap_model.cpp

@@ -13,7 +13,6 @@
 
 #include "mliap_model.h"
 
-#include "atom.h"
 #include "comm.h"
 #include "error.h"
 #include "memory.h"

src/SPIN/min_spin.cpp

@@ -18,17 +18,17 @@
 ------------------------------------------------------------------------- */
 
 #include "min_spin.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "universe.h"
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "output.h"
-#include "timer.h"
 #include "error.h"
 #include "math_const.h"
+#include "output.h"
+#include "timer.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/SPIN/min_spin_cg.cpp

@@ -21,25 +21,22 @@
    preprint arXiv:1904.02669.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "min_spin_cg.h"
-#include "universe.h"
+
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
+#include "math_const.h"
+#include "memory.h"
 #include "output.h"
 #include "timer.h"
-#include "error.h"
-#include "memory.h"
-#include "modify.h"
-#include "math_special.h"
-#include "math_const.h"
 #include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/SPIN/min_spin_lbfgs.cpp

@@ -21,24 +21,22 @@
    preprint arXiv:1904.02669.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "min_spin_lbfgs.h"
+
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
+#include "math_const.h"
+#include "memory.h"
 #include "output.h"
 #include "timer.h"
-#include "error.h"
-#include "memory.h"
-#include "modify.h"
-#include "math_special.h"
-#include "math_const.h"
 #include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/SPIN/neb_spin.cpp

@@ -22,29 +22,26 @@
 ------------------------------------------------------------------------- */
 
 #include "neb_spin.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "citeme.h"
-#include "force.h"
-#include "universe.h"
+
 #include "atom.h"
-#include "update.h"
-#include "domain.h"
+#include "citeme.h"
 #include "comm.h"
-#include "min.h"
-#include "modify.h"
+#include "domain.h"
+#include "error.h"
+#include "finish.h"
 #include "fix.h"
 #include "fix_neb_spin.h"
+#include "memory.h"
+#include "min.h"
+#include "modify.h"
 #include "output.h"
 #include "thermo.h"
-#include "finish.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "math_const.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/SPIN/pair_spin_dipole_cut.cpp

@@ -23,19 +23,16 @@
 
 #include "pair_spin_dipole_cut.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "fix.h"
+#include "error.h"
 #include "force.h"
 #include "math_const.h"
 #include "memory.h"
-#include "modify.h"
-#include "error.h"
-#include "update.h"
+#include "neigh_list.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/SPIN/pair_spin_dipole_long.cpp

@@ -18,20 +18,17 @@
 
 #include "pair_spin_dipole_long.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "fix.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
 #include "math_const.h"
 #include "memory.h"
-#include "modify.h"
-#include "error.h"
-#include "update.h"
+#include "neigh_list.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/SPIN/pair_spin_dmi.cpp

@@ -23,18 +23,15 @@
 
 #include "pair_spin_dmi.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
 #include "force.h"
-#include "fix.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
+#include "neigh_list.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/SPIN/pair_spin_exchange.cpp

@@ -23,18 +23,15 @@
 
 #include "pair_spin_exchange.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "fix.h"
 #include "force.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
+#include "neigh_list.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/SPIN/pair_spin_magelec.cpp

@@ -23,18 +23,15 @@
 
 #include "pair_spin_magelec.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "fix.h"
 #include "force.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
+#include "neigh_list.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/SPIN/pair_spin_neel.cpp

@@ -23,18 +23,15 @@
 
 #include "pair_spin_neel.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "fix.h"
 #include "force.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
+#include "neigh_list.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/SRD/fix_wall_srd.cpp

@@ -13,17 +13,17 @@
 
 #include "fix_wall_srd.h"
 
-#include <cstring>
-#include "fix.h"
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
+#include "fix.h"
 #include "input.h"
+#include "lattice.h"
+#include "memory.h"
 #include "modify.h"
 #include "update.h"
 #include "variable.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-ATC/fix_atc.cpp

@@ -12,23 +12,15 @@
    ------------------------------------------------------------------------- */
 
 #include "fix_atc.h"
-#include <cstdio>
-#include <cstring>
-#include <sstream>
-#include "fix_nve.h"
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
-#include "error.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "pointers.h"
 #include "comm.h"
+#include "error.h"
 #include "group.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 
 #include "ATC_Method.h"
-#include "ATC_Transfer.h"
 #include "ATC_TransferKernel.h"
 #include "ATC_TransferPartitionOfUnity.h"
 #include "ATC_CouplingEnergy.h"
@@ -37,6 +29,8 @@
 #include "ATC_CouplingMomentumEnergy.h"
 #include "LammpsInterface.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 using std::string;

src/USER-ATC/fix_atc.h

@@ -8,7 +8,6 @@ FixStyle(atc,FixATC)
 #define FIX_ATC_H
 
 #include "fix.h"
-#include "pointers.h" // access to lammps pointers
 
 namespace ATC {
   class ATC_Method;

src/USER-AWPMD/atom_vec_wavepacket.cpp

@@ -16,9 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_wavepacket.h"
-#include <cstring>
+
 #include "atom.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/USER-AWPMD/pair_awpmd_cut.cpp

@@ -17,28 +17,29 @@
 
 #include "pair_awpmd_cut.h"
 
-#include <cmath>
-#include <cstring>
-#include <map>
-#include <utility>
 #include "atom.h"
-#include "update.h"
-#include "min.h"
-#include "domain.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
+#include "memory.h"
+#include "min.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
-
+#include "neighbor.h"
+#include "update.h"
 
 #include "logexc.h"
 #include "vector_3.h"
 #include "TCP/wpmd.h"
 #include "TCP/wpmd_split.h"
 
+#include <cmath>
+#include <cstring>
+#include <map>
+#include <utility>
+#include <vector>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */

src/USER-BOCS/compute_pressure_bocs.cpp

@@ -16,11 +16,6 @@
 
 #include "compute_pressure_bocs.h"
 
-
-#include <cmath>
-#include <cstring>
-
-
 #include "angle.h"
 #include "atom.h"
 #include "bond.h"
@@ -28,15 +23,15 @@
 #include "domain.h"
 #include "error.h"
 #include "fix.h"
-
 #include "force.h"
 #include "improper.h"
 #include "kspace.h"
-#include "memory.h"
 #include "modify.h"
 #include "pair.h"
 #include "update.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/USER-COLVARS/fix_colvars.cpp

@@ -26,28 +26,25 @@
 
 #include "fix_colvars.h"
 
-
-#include <cstring>
-#include <iostream>
-
-#include <vector>
-#include <memory>
-
 #include "atom.h"
+#include "citeme.h"
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
 #include "memory.h"
 #include "modify.h"
 #include "respa.h"
 #include "universe.h"
 #include "update.h"
-#include "citeme.h"
 
 #include "colvarproxy_lammps.h"
 #include "colvarmodule.h"
 
+#include <cstring>
+#include <iostream>
+#include <memory>
+#include <vector>
+
 static const char colvars_pub[] =
   "fix colvars command:\n\n"
   "@Article{fiorin13,\n"

src/USER-COLVARS/fix_colvars.h

@@ -34,7 +34,6 @@ FixStyle(colvars,FixColvars)
 #define LMP_FIX_COLVARS_H
 
 #include "fix.h"
-#include <mpi.h>
 
 class colvarproxy_lammps;
 

src/USER-COLVARS/group_ndx.cpp

@@ -17,12 +17,11 @@
 ------------------------------------------------------------------------- */
 
 #include "group_ndx.h"
-#include <mpi.h>
-#include <cstdlib>
+
 #include "atom.h"
 #include "comm.h"
-#include "group.h"
 #include "error.h"
+#include "group.h"
 
 using namespace LAMMPS_NS;
 

src/USER-COLVARS/ndx_group.cpp

@@ -17,13 +17,13 @@
 ------------------------------------------------------------------------- */
 
 #include "ndx_group.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "group.h"
 #include "error.h"
+#include "group.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 #define BUFLEN 4096

src/USER-DIFFRACTION/compute_saed.cpp

@@ -15,23 +15,23 @@
    Contributing authors: Shawn Coleman & Douglas Spearot (Arkansas)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "compute_saed.h"
 
-#include <cmath>
-
-#include <cstring>
-#include "math_const.h"
-#include "compute_saed_consts.h"
 #include "atom.h"
-#include "comm.h"
-#include "update.h"
-#include "domain.h"
-#include "group.h"
 #include "citeme.h"
-#include "memory.h"
+#include "comm.h"
+#include "compute_saed_consts.h"
+#include "domain.h"
 #include "error.h"
+#include "group.h"
+#include "math_const.h"
+#include "memory.h"
+#include "update.h"
 
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 

src/USER-DIFFRACTION/compute_xrd.cpp

@@ -16,23 +16,23 @@
    Updated: 06/17/2015-2
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "compute_xrd.h"
+#include "compute_xrd_consts.h"
+
+#include "atom.h"
+#include "citeme.h"
+#include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "group.h"
+#include "math_const.h"
+#include "memory.h"
+#include "update.h"
 
 #include <cmath>
-
 #include <cstring>
-#include "math_const.h"
-#include "compute_xrd_consts.h"
-#include "atom.h"
-#include "comm.h"
-#include "update.h"
-#include "domain.h"
-#include "group.h"
-#include "citeme.h"
-#include "memory.h"
-#include "error.h"
 
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 

src/USER-DIFFRACTION/fix_saed_vtk.cpp

@@ -18,17 +18,16 @@
 
 #include "fix_saed_vtk.h"
 
-#include <cstring>
-#include <cmath>
-#include "update.h"
-#include "modify.h"
 #include "compute.h"
 #include "compute_saed.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
 #include "domain.h"
+#include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
 
+#include <cstring>
+#include <cmath>
 using namespace LAMMPS_NS;
 using namespace FixConst;
 

src/USER-DPD/fix_eos_cv.cpp

@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_eos_cv.h"
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-DPD/fix_eos_table.cpp

@@ -17,13 +17,11 @@
 
 #include "fix_eos_table.h"
 
-
-#include <cstring>
 #include "atom.h"
 #include "error.h"
-#include "force.h"
 #include "memory.h"
 
+#include <cstring>
 
 #define MAXLINE 1024
 

src/USER-DPD/fix_shardlow.cpp

@@ -35,26 +35,25 @@
 
 #include "fix_shardlow.h"
 
-#include <cstring>
-#include <cmath>
-#include <stdint.h>
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "error.h"
+#include "citeme.h"
 #include "comm.h"
-#include "neighbor.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
+#include "memory.h"
+#include "modify.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "npair.h"
-#include "memory.h"
-#include "domain.h"
-#include "modify.h"
+#include "npair_half_bin_newton_ssa.h"
 #include "pair_dpd_fdt.h"
 #include "pair_dpd_fdt_energy.h"
-#include "npair_half_bin_newton_ssa.h"
-#include "citeme.h"
+#include "update.h"
 
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-DPD/pair_dpd_fdt.cpp

@@ -17,20 +17,19 @@
 
 #include "pair_dpd_fdt.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "random_mars.h"
 #include "memory.h"
 #include "modify.h"
-#include "error.h"
+#include "neigh_list.h"
+#include "neighbor.h"
+#include "random_mars.h"
+#include "update.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 

src/USER-DPD/pair_dpd_fdt_energy.cpp

@@ -17,20 +17,19 @@
 
 #include "pair_dpd_fdt_energy.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "random_mars.h"
 #include "memory.h"
 #include "modify.h"
-#include "error.h"
+#include "neigh_list.h"
+#include "neighbor.h"
+#include "random_mars.h"
+#include "update.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 

src/USER-EFF/atom_vec_electron.cpp

@@ -16,10 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_electron.h"
-#include <cstring>
+
 #include "atom.h"
 #include "citeme.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/USER-EFF/fix_nh_eff.cpp

@@ -17,8 +17,8 @@
 
 
 #include "fix_nh_eff.h"
+
 #include "atom.h"
-#include "atom_vec.h"
 #include "error.h"
 #include "domain.h"
 

src/USER-MANIFOLD/fix_manifoldforce.cpp

@@ -13,16 +13,15 @@
 
 #include "fix_manifoldforce.h"  // For stuff
 
-#include <cstring>
-#include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "error.h"
-#include "force.h"
-
 #include "manifold.h"
 #include "manifold_factory.h"   // For constructing manifold
 
+#include "atom.h"
+#include "error.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-MANIFOLD/manifold_gaussian_bump.cpp

@@ -3,6 +3,8 @@
 #include "comm.h"
 #include "error.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace user_manifold;
 

src/USER-MEAMC/meam.h

@@ -1,9 +1,23 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
 #ifndef LMP_MEAM_H
 #define LMP_MEAM_H
 
+#include "math_const.h"         // IWYU pragma: export
+
 #include <cmath>
 #include <cstring>
-#include "math_const.h"
 
 #define maxelt 5
 

src/USER-MEAMC/meam_dens_final.cpp

@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
 
 using namespace LAMMPS_NS;

src/USER-MEAMC/meam_dens_init.cpp

@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
 
 #include "math_special.h"

src/USER-MEAMC/meam_force.cpp

@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
 
 #include "math_special.h"

src/USER-MEAMC/meam_setup_done.cpp

@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
 
 #include "math_special.h"

src/USER-MEAMC/meam_setup_global.cpp

@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
 
 #include <cmath>

src/USER-MEAMC/meam_setup_param.cpp

@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 
 #include "meam.h"
 

src/USER-MESODPD/atom_vec_edpd.cpp

@@ -12,16 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_edpd.h"
-#include <cstring>
-#include "atom.h"
-#include "comm.h"
-#include "domain.h"
-#include "modify.h"
-#include "fix.h"
-#include "update.h"
-#include "memory.h"
-#include "error.h"
 
+#include "atom.h"
+#include "error.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/USER-MESODPD/compute_tdpd_cc_atom.cpp

@@ -11,15 +11,16 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "compute_tdpd_cc_atom.h"
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/USER-MESODPD/fix_edpd_source.cpp

@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_edpd_source.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-MESODPD/fix_tdpd_source.cpp

@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tdpd_source.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/USER-MESODPD/pair_mdpd_rhosum.cpp

@@ -20,16 +20,16 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mdpd_rhosum.h"
-#include <cmath>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
+#include "error.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
 #include "neighbor.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 

src/USER-MISC/fix_propel_self.cpp

@@ -22,7 +22,6 @@
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
 #include "error.h"
-#include "math.h"
 #include "math_const.h"
 #include "math_extra.h"