more rearranging of include file order to put implementation headers first

src/LATTE/fix_latte.cpp

@@ -15,9 +15,9 @@
    Contributing author: Christian Negre (LANL)
 ------------------------------------------------------------------------- */
 
+#include "fix_latte.h"
 #include <cstdio>
 #include <cstring>
-#include "fix_latte.h"
 #include "atom.h"
 #include "comm.h"
 #include "update.h"

src/MANYBODY/fix_qeq_comb.cpp

@@ -15,13 +15,13 @@
    Contributing authors: Ray Shan (Sandia, tnshan@sandia.gov)
 ------------------------------------------------------------------------- */
 
+#include "fix_qeq_comb.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
 #include "pair_comb.h"
 #include "pair_comb3.h"
-#include "fix_qeq_comb.h"
 #include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"

src/MANYBODY/pair_adp.cpp

@@ -16,11 +16,11 @@
                          Chandra Veer Singh (Cornell)
 ------------------------------------------------------------------------- */
 
+#include "pair_adp.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_adp.h"
 #include "atom.h"
 #include "force.h"
 #include "comm.h"

src/MANYBODY/pair_airebo.cpp

@@ -20,12 +20,12 @@
      Thomas C. O'Connor (JHU) 2014
 ------------------------------------------------------------------------- */
 
+#include "pair_airebo.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
 #include <mpi.h>
-#include "pair_airebo.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "force.h"

src/MANYBODY/pair_atm.cpp

@@ -15,8 +15,8 @@
    Contributing author: Sergey Lishchuk
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_atm.h"
+#include <cmath>
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"

src/MANYBODY/pair_bop.cpp

@@ -32,12 +32,12 @@
    Rules"_http://lammps.sandia.gov/open_source.html
 ------------------------------------------------------------------------- */
 
+#include "pair_bop.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
 #include <mpi.h>
-#include "pair_bop.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_request.h"

src/MANYBODY/pair_comb.cpp

@@ -18,11 +18,11 @@
    and Aidan Thompson's Tersoff code in LAMMPS
 ------------------------------------------------------------------------- */
 
+#include "pair_comb.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_comb.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MANYBODY/pair_comb3.cpp

@@ -17,11 +17,11 @@
                       Dundar Yilmaz (dundar.yilmaz@zirve.edu.tr)
 ------------------------------------------------------------------------- */
 
+#include "pair_comb3.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_comb3.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MANYBODY/pair_eam.cpp

@@ -15,11 +15,11 @@
    Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_eam.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_eam.h"
 #include "atom.h"
 #include "force.h"
 #include "comm.h"

src/MANYBODY/pair_eam_alloy.cpp

@@ -15,10 +15,10 @@
    Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_eam_alloy.h"
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_eam_alloy.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MANYBODY/pair_eam_cd.cpp

@@ -17,11 +17,11 @@
                         Germany Department of Materials Science
 ------------------------------------------------------------------------- */
 
+#include "pair_eam_cd.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_eam_cd.h"
 #include "atom.h"
 #include "force.h"
 #include "comm.h"

src/MANYBODY/pair_eam_fs.cpp

@@ -15,10 +15,10 @@
    Contributing authors: Tim Lau (MIT)
 ------------------------------------------------------------------------- */
 
+#include "pair_eam_fs.h"
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_eam_fs.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MANYBODY/pair_eim.cpp

@@ -15,11 +15,11 @@
    Contributing author: Xiaowang Zhou (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_eim.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_eim.h"
 #include "atom.h"
 #include "force.h"
 #include "comm.h"

src/MANYBODY/pair_gw.cpp

@@ -16,11 +16,11 @@
    based on PairTersoff by Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_gw.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_gw.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/MANYBODY/pair_gw_zbl.cpp

@@ -16,11 +16,11 @@
    Based on PairTersoffZBL by Aidan Thompson (SNL) and David Farrell (NWU)
 ------------------------------------------------------------------------- */
 
+#include "pair_gw_zbl.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_gw_zbl.h"
 #include "atom.h"
 #include "update.h"
 #include "neighbor.h"

src/MANYBODY/pair_lcbop.cpp

@@ -16,12 +16,12 @@
      based on pair_airebo by Ase Henry (MIT)
 ------------------------------------------------------------------------- */
 
+#include "pair_lcbop.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
 #include <mpi.h>
-#include "pair_lcbop.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_request.h"

src/MANYBODY/pair_nb3b_harmonic.cpp

@@ -16,11 +16,11 @@
    (based on Stillinger-Weber pair style)
 ------------------------------------------------------------------------- */
 
+#include "pair_nb3b_harmonic.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_nb3b_harmonic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_request.h"

src/MANYBODY/pair_polymorphic.cpp

@@ -16,11 +16,11 @@
    This modifies from pair_tersoff.cpp by Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_polymorphic.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_polymorphic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/MANYBODY/pair_sw.cpp

@@ -15,11 +15,11 @@
    Contributing author: Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_sw.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_sw.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_request.h"

src/MANYBODY/pair_tersoff.cpp

@@ -15,11 +15,11 @@
    Contributing author: Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_tersoff.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_tersoff.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/MANYBODY/pair_tersoff_mod.cpp

@@ -16,11 +16,11 @@
                         Vitaly Dozhdikov (JIHT of RAS) - MOD addition
 ------------------------------------------------------------------------- */
 
+#include "pair_tersoff_mod.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_tersoff_mod.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/MANYBODY/pair_tersoff_mod_c.cpp

@@ -15,11 +15,11 @@
    Contributing author: Ganga P Purja Pun (George Mason University, Fairfax)
 ------------------------------------------------------------------------- */
 
+#include "pair_tersoff_mod_c.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_tersoff_mod_c.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/MANYBODY/pair_tersoff_zbl.cpp

@@ -16,11 +16,11 @@
                         David Farrell (NWU) - ZBL addition
 ------------------------------------------------------------------------- */
 
+#include "pair_tersoff_zbl.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_tersoff_zbl.h"
 #include "atom.h"
 #include "update.h"
 #include "neighbor.h"

src/MANYBODY/pair_vashishta.cpp

@@ -16,11 +16,11 @@
                          Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_vashishta.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_vashishta.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_request.h"

src/MANYBODY/pair_vashishta_table.cpp

@@ -15,11 +15,11 @@
    Contributing author: Anders Hafreager (UiO), andershaf@gmail.com
 ------------------------------------------------------------------------- */
 
+#include "pair_vashishta_table.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_vashishta_table.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "neigh_request.h"

src/MC/fix_atom_swap.cpp

@@ -16,11 +16,11 @@
                          Alexander Stukowski
 ------------------------------------------------------------------------- */
 
+#include "fix_atom_swap.h"
 #include <cmath>
 #include <cfloat>
 #include <cstdlib>
 #include <cstring>
-#include "fix_atom_swap.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_hybrid.h"

src/MC/fix_bond_break.cpp

@@ -11,11 +11,11 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "fix_bond_break.h"
 #include <cmath>
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
-#include "fix_bond_break.h"
 #include "update.h"
 #include "respa.h"
 #include "atom.h"

src/MC/fix_bond_create.cpp

@@ -11,11 +11,11 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "fix_bond_create.h"
 #include <cmath>
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
-#include "fix_bond_create.h"
 #include "update.h"
 #include "respa.h"
 #include "atom.h"

src/MC/fix_bond_swap.cpp

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

src/MC/fix_gcmc.cpp

@@ -15,10 +15,10 @@
    Contributing author: Paul Crozier, Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "fix_gcmc.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "fix_gcmc.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_hybrid.h"

src/MC/pair_dsmc.cpp

@@ -15,12 +15,12 @@
    Contributing authors: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_dsmc.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
 #include <climits>
-#include "pair_dsmc.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MESSAGE/fix_client_md.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "fix_client_md.h"
 #include <cstdio>
 #include <cstring>
-#include "fix_client_md.h"
 #include "update.h"
 #include "atom.h"
 #include "comm.h"

src/MESSAGE/message.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "message.h"
+#include <cstring>
 #include "error.h"
 
 // CSlib interface

src/MESSAGE/server.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "server.h"
+#include <cstring>
 #include "error.h"
 
 // customize by adding a new server protocol include and enum

src/MESSAGE/server_md.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "server_md.h"
 #include <mpi.h>
 #include <cstring>
-#include "server_md.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "update.h"

src/MISC/compute_msd_nongauss.cpp

@@ -15,8 +15,8 @@
    Contributing authors: Rob Hoy
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "compute_msd_nongauss.h"
+#include <cstring>
 #include "atom.h"
 #include "update.h"
 #include "group.h"

src/MISC/compute_ti.cpp

@@ -15,10 +15,10 @@
    Contributing author: Sai Jayaraman (University of Notre Dame)
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include "atom.h"
-#include <cstring>
 #include "compute_ti.h"
+#include <mpi.h>
+#include <cstring>
+#include "atom.h"
 #include "update.h"
 #include "modify.h"
 #include "domain.h"

src/MISC/dump_xtc.cpp

@@ -22,12 +22,12 @@
                            support for groups
 ------------------------------------------------------------------------- */
 
+#include "dump_xtc.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
 #include <climits>
-#include "dump_xtc.h"
 #include "domain.h"
 #include "atom.h"
 #include "update.h"

src/MISC/fix_deposit.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "fix_deposit.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "fix_deposit.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "molecule.h"

src/MISC/fix_efield.cpp

@@ -16,10 +16,10 @@
                         Stan Moore (Sandia) for dipole terms
 ------------------------------------------------------------------------- */
 
+#include "fix_efield.h"
 #include <cmath>
 #include <cstring>
 #include <cstdlib>
-#include "fix_efield.h"
 #include "atom.h"
 #include "update.h"
 #include "domain.h"

src/MISC/fix_evaporate.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "fix_evaporate.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "fix_evaporate.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "molecule.h"

src/MISC/fix_gld.cpp

@@ -16,10 +16,10 @@
                          Andrew Baczewski (Michigan State/SNL)
 ------------------------------------------------------------------------- */
 
+#include "fix_gld.h"
 #include <cmath>
 #include <cstdio>
 #include <cstring>
-#include "fix_gld.h"
 #include "math_extra.h"
 #include "atom.h"
 #include "force.h"

src/MISC/fix_oneway.cpp

@@ -15,8 +15,8 @@
    Contributing author: Axel Kohlmeyer (ICTP, Italy)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "fix_oneway.h"
+#include <cstring>
 #include "atom.h"
 #include "domain.h"
 #include "error.h"

src/MISC/fix_orient_bcc.cpp

@@ -18,11 +18,11 @@
             (https://dx.doi.org/10.6084/m9.figshare.1488628.v1
 ------------------------------------------------------------------------- */
 
+#include "fix_orient_bcc.h"
 #include <cmath>
 #include <cstring>
 #include <cstdlib>
 #include <mpi.h>
-#include "fix_orient_bcc.h"
 #include "atom.h"
 #include "update.h"
 #include "respa.h"

src/MISC/fix_orient_fcc.cpp

@@ -15,11 +15,11 @@
    Contributing authors: Koenraad Janssens and David Olmsted (SNL)
 ------------------------------------------------------------------------- */
 
+#include "fix_orient_fcc.h"
 #include <cmath>
 #include <cstring>
 #include <cstdlib>
 #include <mpi.h>
-#include "fix_orient_fcc.h"
 #include "atom.h"
 #include "update.h"
 #include "respa.h"

src/MISC/fix_thermal_conductivity.cpp

@@ -16,11 +16,11 @@
                         for swapping atoms of different masses
 ------------------------------------------------------------------------- */
 
+#include "fix_thermal_conductivity.h"
 #include <cmath>
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
-#include "fix_thermal_conductivity.h"
 #include "atom.h"
 #include "force.h"
 #include "domain.h"

src/MISC/fix_ttm.cpp

@@ -16,11 +16,11 @@
                          Carolyn Phillips (University of Michigan)
 ------------------------------------------------------------------------- */
 
+#include "fix_ttm.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
 #include <cstdlib>
-#include "fix_ttm.h"
 #include "atom.h"
 #include "force.h"
 #include "update.h"

src/MISC/fix_viscosity.cpp

@@ -16,11 +16,11 @@
                         for swapping atoms of different masses
 ------------------------------------------------------------------------- */
 
+#include "fix_viscosity.h"
 #include <cmath>
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
-#include "fix_viscosity.h"
 #include "atom.h"
 #include "domain.h"
 #include "modify.h"

src/MISC/pair_nm_cut.cpp

@@ -15,11 +15,11 @@
    Contributing Author: Julien Devemy (ICCF)
 ------------------------------------------------------------------------- */
 
+#include "pair_nm_cut.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_nm_cut.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MISC/pair_nm_cut_coul_cut.cpp

@@ -15,11 +15,11 @@
    Contributing Author: Julien Devemy (ICCF)
 ------------------------------------------------------------------------- */
 
+#include "pair_nm_cut_coul_cut.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_nm_cut_coul_cut.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MISC/pair_nm_cut_coul_long.cpp

@@ -15,11 +15,11 @@
    Contributing Author: Julien Devemy (ICCF)
 ------------------------------------------------------------------------- */
 
+#include "pair_nm_cut_coul_long.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_nm_cut_coul_long.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MISC/xdr_compat.cpp

@@ -1,7 +1,7 @@
+#include "xdr_compat.h"
 #include <cstdlib>
 #include <climits>
 #include <cstring>
-#include "xdr_compat.h"
 
 /* This file is needed for systems, that do not provide XDR support
  * in their system libraries. It was written for windows, but will

src/MOLECULE/angle_charmm.cpp

@@ -15,9 +15,9 @@
    Contributing author: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
+#include "angle_charmm.h"
 #include <cmath>
 #include <cstdlib>
-#include "angle_charmm.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/angle_cosine.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "angle_cosine.h"
 #include <cmath>
 #include <cstdlib>
-#include "angle_cosine.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/angle_cosine_delta.cpp

@@ -15,9 +15,9 @@
    Contributing author: Axel Kohlmeyer (Temple U), akohlmey at gmail.com
 ------------------------------------------------------------------------- */
 
+#include "angle_cosine_delta.h"
 #include <cmath>
 #include <cstdlib>
-#include "angle_cosine_delta.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/angle_cosine_periodic.cpp

@@ -15,9 +15,9 @@
    Contributing author: Tod A Pascal (Caltech)
 ------------------------------------------------------------------------- */
 
+#include "angle_cosine_periodic.h"
 #include <cmath>
 #include <cstdlib>
-#include "angle_cosine_periodic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/angle_cosine_squared.cpp

@@ -15,9 +15,9 @@
    Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U)
 ------------------------------------------------------------------------- */
 
+#include "angle_cosine_squared.h"
 #include <cmath>
 #include <cstdlib>
-#include "angle_cosine_squared.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/angle_harmonic.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "angle_harmonic.h"
 #include <cmath>
 #include <cstdlib>
-#include "angle_harmonic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/angle_table.cpp

@@ -15,10 +15,10 @@
    Contributing author: Chuanfu Luo (luochuanfu@gmail.com)
 ------------------------------------------------------------------------- */
 
+#include "angle_table.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "angle_table.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/atom_vec_angle.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
 #include "atom_vec_angle.h"
+#include <cstdlib>
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"

src/MOLECULE/atom_vec_bond.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
 #include "atom_vec_bond.h"
+#include <cstdlib>
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"

src/MOLECULE/atom_vec_full.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
 #include "atom_vec_full.h"
+#include <cstdlib>
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"

src/MOLECULE/atom_vec_molecular.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
 #include "atom_vec_molecular.h"
+#include <cstdlib>
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"

src/MOLECULE/atom_vec_template.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "atom_vec_template.h"
 #include <cstring>
 #include <cstdlib>
-#include "atom_vec_template.h"
 #include "atom.h"
 #include "molecule.h"
 #include "comm.h"

src/MOLECULE/bond_fene.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "bond_fene.h"
 #include <cmath>
 #include <cstdlib>
-#include "bond_fene.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_fene_expand.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "bond_fene_expand.h"
 #include <cmath>
 #include <cstdlib>
-#include "bond_fene_expand.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_gromos.cpp

@@ -15,10 +15,10 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
+#include "bond_gromos.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "bond_gromos.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_harmonic.cpp

@@ -11,10 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "bond_harmonic.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "bond_harmonic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_morse.cpp

@@ -15,9 +15,9 @@
    Contributing author: Jeff Greathouse (SNL)
 ------------------------------------------------------------------------- */
 
+#include "bond_morse.h"
 #include <cmath>
 #include <cstdlib>
-#include "bond_morse.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_nonlinear.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "bond_nonlinear.h"
 #include <cmath>
 #include <cstdlib>
-#include "bond_nonlinear.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_quartic.cpp

@@ -15,9 +15,9 @@
    Contributing authors: Chris Lorenz and Mark Stevens (SNL)
 ------------------------------------------------------------------------- */
 
+#include "bond_quartic.h"
 #include <cmath>
 #include <cstdlib>
-#include "bond_quartic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/bond_table.cpp

@@ -15,10 +15,10 @@
    Contributing author: Chuanfu Luo (luochuanfu@gmail.com)
 ------------------------------------------------------------------------- */
 
+#include "bond_table.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "bond_table.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/dihedral_charmm.cpp

@@ -15,11 +15,11 @@
    Contributing author: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
+#include "dihedral_charmm.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "dihedral_charmm.h"
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"

src/MOLECULE/dihedral_charmmfsw.cpp

@@ -18,11 +18,11 @@
      with additional assistance from Robert A. Latour, Clemson University
 ------------------------------------------------------------------------- */
 
+#include "dihedral_charmmfsw.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "dihedral_charmmfsw.h"
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"

src/MOLECULE/dihedral_harmonic.cpp

@@ -15,10 +15,10 @@
    Contributing author: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
+#include "dihedral_harmonic.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
-#include "dihedral_harmonic.h"
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"

src/MOLECULE/dihedral_helix.cpp

@@ -16,10 +16,10 @@
                          Mark Stevens (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "dihedral_helix.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
-#include "dihedral_helix.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/dihedral_multi_harmonic.cpp

@@ -15,9 +15,9 @@
    Contributing author: Mathias Puetz (SNL) and friends
 ------------------------------------------------------------------------- */
 
+#include "dihedral_multi_harmonic.h"
 #include <cmath>
 #include <cstdlib>
-#include "dihedral_multi_harmonic.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/MOLECULE/dihedral_opls.cpp

@@ -15,9 +15,9 @@
    Contributing author: Mark Stevens (SNL)
 ------------------------------------------------------------------------- */
 
+#include "dihedral_opls.h"
 #include <cmath>
 #include <cstdlib>
-#include "dihedral_opls.h"
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"

src/MOLECULE/fix_cmap.cpp

@@ -27,12 +27,12 @@
    - MacKerell et al., J. Comput. Chem. 25(2004):1400-1415.
 ------------------------------------------------------------------------- */
 
+#include "fix_cmap.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
 #include <cstdio>
-#include "fix_cmap.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "update.h"

src/MOLECULE/improper_cvff.cpp

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

src/MOLECULE/improper_harmonic.cpp

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

src/MOLECULE/improper_umbrella.cpp

@@ -15,10 +15,10 @@
    Contributing author: Tod A Pascal (Caltech)
 ------------------------------------------------------------------------- */
 
+#include "improper_umbrella.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
-#include "improper_umbrella.h"
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"

src/MOLECULE/pair_hbond_dreiding_lj.cpp

@@ -15,11 +15,11 @@
    Contributing author: Tod A Pascal (Caltech)
 ------------------------------------------------------------------------- */
 
+#include "pair_hbond_dreiding_lj.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_hbond_dreiding_lj.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "molecule.h"

src/MOLECULE/pair_hbond_dreiding_morse.cpp

@@ -15,11 +15,11 @@
    Contributing author: Tod A Pascal (Caltech)
 ------------------------------------------------------------------------- */
 
+#include "pair_hbond_dreiding_morse.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_hbond_dreiding_morse.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "molecule.h"

src/MOLECULE/pair_lj_charmm_coul_charmm.cpp

@@ -15,11 +15,11 @@
    Contributing author: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_charmm_coul_charmm.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_lj_charmm_coul_charmm.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_charmm_coul_charmm_implicit.h"
 #include <cmath>
 #include <cstring>
-#include "pair_lj_charmm_coul_charmm_implicit.h"
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"

src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp

@@ -19,11 +19,11 @@
      with additional assistance from Robert A. Latour, Clemson University
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_charmmfsw_coul_charmmfsh.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_lj_charmmfsw_coul_charmmfsh.h"
 #include "atom.h"
 #include "update.h"
 #include "comm.h"

src/MOLECULE/pair_lj_cut_tip4p_cut.cpp

@@ -15,10 +15,10 @@
    Contributing author: Pavel Elkind (Gothenburg University)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_cut_tip4p_cut.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "pair_lj_cut_tip4p_cut.h"
 #include "atom.h"
 #include "force.h"
 #include "neighbor.h"

src/MOLECULE/pair_tip4p_cut.cpp

@@ -15,9 +15,9 @@
    Contributing author: Pavel Elkind (Gothenburg University)
 ------------------------------------------------------------------------- */
 
+#include "pair_tip4p_cut.h"
 #include <cmath>
 #include <cstdlib>
-#include "pair_tip4p_cut.h"
 #include "atom.h"
 #include "force.h"
 #include "neighbor.h"

src/MPIIO/dump_atom_mpiio.cpp

@@ -15,8 +15,8 @@
    Contributing author: Paul Coffman (IBM)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "dump_atom_mpiio.h"
+#include <cstring>
 #include "domain.h"
 #include "atom.h"
 #include "update.h"

src/MPIIO/dump_cfg_mpiio.cpp

@@ -15,10 +15,10 @@
    Contributing author: Paul Coffman (IBM)
 ------------------------------------------------------------------------- */
 
+#include "dump_cfg_mpiio.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "dump_cfg_mpiio.h"
 #include "atom.h"
 #include "domain.h"
 #include "comm.h"

src/MPIIO/dump_custom_mpiio.cpp

@@ -15,10 +15,10 @@
    Contributing author: Paul Coffman (IBM)
 ------------------------------------------------------------------------- */
 
+#include "dump_custom_mpiio.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "dump_custom_mpiio.h"
 #include "atom.h"
 #include "force.h"
 #include "domain.h"

src/MPIIO/dump_xyz_mpiio.cpp

@@ -15,10 +15,10 @@
    Contributing author: Paul Coffman (IBM)
 ------------------------------------------------------------------------- */
 
+#include "dump_xyz_mpiio.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "dump_xyz_mpiio.h"
 #include "atom.h"
 #include "force.h"
 #include "domain.h"

src/MPIIO/restart_mpiio.cpp

@@ -15,9 +15,9 @@
    Contributing author: Paul Coffman (IBM)
 ------------------------------------------------------------------------- */
 
+#include "restart_mpiio.h"
 #include <mpi.h>
 #include <climits>
-#include "restart_mpiio.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;

src/MSCG/fix_mscg.cpp

@@ -15,10 +15,10 @@
    Contributing authors: Lauren Abbott (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "fix_mscg.h"
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
-#include "fix_mscg.h"
 #include "mscg.h"
 #include "atom.h"
 #include "comm.h"

src/OPT/pair_eam_opt.cpp

@@ -19,9 +19,9 @@
      Vincent Natoli, Stone Ridge Technology
 ------------------------------------------------------------------------- */
 
+#include "pair_eam_opt.h"
 #include <cmath>
 #include <cstdlib>
-#include "pair_eam_opt.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/OPT/pair_lj_charmm_coul_long_opt.cpp

@@ -18,9 +18,9 @@
      Vincent Natoli, Stone Ridge Technology
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_charmm_coul_long_opt.h"
 #include <cmath>
 #include <cstdlib>
-#include "pair_lj_charmm_coul_long_opt.h"
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"

src/OPT/pair_lj_cut_coul_long_opt.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_cut_coul_long_opt.h"
+#include <cmath>
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"

src/OPT/pair_lj_cut_opt.cpp

@@ -18,8 +18,8 @@
      Vincent Natoli, Stone Ridge Technology
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
 #include "pair_lj_cut_opt.h"
+#include <cstdlib>
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"

src/OPT/pair_lj_cut_tip4p_long_opt.cpp

@@ -15,8 +15,8 @@
    OPT version: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_cut_tip4p_long_opt.h"
+#include <cmath>
 #include "atom.h"
 #include "domain.h"
 #include "force.h"