put implementation header first for all remaining main folder source files

src/imbalance_neigh.cpp

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

src/imbalance_store.cpp

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

src/imbalance_time.cpp

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

src/imbalance_var.cpp

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

src/improper_deprecated.cpp

@@ -15,8 +15,8 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "improper_deprecated.h"
+#include <cstring>
 #include "improper_hybrid.h"
 #include "comm.h"
 #include "force.h"

src/improper_hybrid.cpp

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

src/improper_zero.cpp

@@ -15,8 +15,8 @@
    Contributing author: Carsten Svaneborg (SDU)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "improper_zero.h"
+#include <cstring>
 #include "atom.h"
 #include "force.h"
 #include "memory.h"

src/info.cpp

@@ -16,6 +16,7 @@
                           Richard Berger (Temple U)
 ------------------------------------------------------------------------- */
 
+#include "info.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
@@ -23,7 +24,6 @@
 #include <ctime>
 #include <map>
 #include <string>
-#include "info.h"
 #include "accelerator_kokkos.h"
 #include "atom.h"
 #include "comm.h"

src/input.cpp

@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "input.h"
 #include <mpi.h>
 #include <cstdlib>
 #include <cstring>
@@ -18,7 +19,6 @@
 #include <cctype>
 #include <unistd.h>
 #include <sys/stat.h>
-#include "input.h"
 #include "style_command.h"
 #include "universe.h"
 #include "atom.h"

src/irregular.cpp

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

src/kspace.cpp

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

src/kspace_deprecated.cpp

@@ -15,8 +15,8 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "kspace_deprecated.h"
+#include <cstring>
 #include "comm.h"
 #include "force.h"
 #include "error.h"

src/lammps.cpp

@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lammps.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
@@ -18,7 +19,6 @@
 #include <cctype>
 #include <map>
 #include <string>
-#include "lammps.h"
 #include "style_angle.h"     // IWYU pragma: keep
 #include "style_atom.h"      // IWYU pragma: keep
 #include "style_bond.h"      // IWYU pragma: keep

src/lattice.cpp

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

src/library.cpp

@@ -14,11 +14,11 @@
 // C or Fortran style library interface to LAMMPS
 // customize by adding new LAMMPS-specific functions
 
+#include "library.h"
 #include <mpi.h>
 #include <cctype>
 #include <cstring>
 #include <cstdlib>
-#include "library.h"
 #include "universe.h"
 #include "atom_vec.h"
 #include "atom.h"

src/main.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
 #include "lammps.h"
+#include <mpi.h>
 #include "input.h"
 
 #if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE)

src/math_extra.cpp

@@ -15,9 +15,9 @@
    Contributing author: Mike Brown (SNL)
 ------------------------------------------------------------------------- */
 
+#include "math_extra.h"
 #include <cstdio>
 #include <cstring>
-#include "math_extra.h"
 
 #define MAXJACOBI 50
 

src/math_special.cpp

@@ -1,6 +1,6 @@
+#include "math_special.h"
 #include <cmath>
 #include <stdint.h> // IWYU pragma: keep
-#include "math_special.h"
 
 using namespace LAMMPS_NS;
 

src/memory.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
 #include "memory.h"
+#include <cstdlib>
 #include "error.h"
 
 #if defined(LMP_USER_INTEL) && defined(__INTEL_COMPILER)

src/min.cpp

@@ -19,10 +19,10 @@
             JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
 ------------------------------------------------------------------------- */
 
+#include "min.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "min.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "domain.h"

src/min_cg.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "min_cg.h"
 #include <mpi.h>
 #include <cmath>
-#include "min_cg.h"
 #include "update.h"
 #include "output.h"
 #include "timer.h"

src/min_fire.cpp

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

src/min_hftn.cpp

@@ -17,12 +17,12 @@
             "Parallel Unconstrained Min", Plantenga, SAND98-8201
 ------------------------------------------------------------------------- */
 
+#include "min_hftn.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
 #include "atom.h"
 #include "fix_minimize.h"
-#include "min_hftn.h"
 #include "modify.h"
 #include "output.h"
 #include "pair.h"

src/min_linesearch.cpp

@@ -21,9 +21,9 @@
             JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
 ------------------------------------------------------------------------- */
 
+#include "min_linesearch.h"
 #include <mpi.h>
 #include <cmath>
-#include "min_linesearch.h"
 #include "atom.h"
 #include "modify.h"
 #include "fix_minimize.h"

src/min_quickmin.cpp

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

src/min_sd.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "min_sd.h"
+#include <cmath>
 #include "update.h"
 #include "output.h"
 #include "timer.h"

src/modify.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "modify.h"
+#include <cstring>
 #include "style_compute.h"
 #include "style_fix.h"
 #include "atom.h"

src/molecule.cpp

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

src/nbin.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "nbin.h"
+#include <cmath>
 #include "neighbor.h"
 #include "neigh_request.h"
 #include "domain.h"

src/neighbor.cpp

@@ -15,10 +15,10 @@
    Contributing author (triclinic and multi-neigh) : Pieter in 't Veld (SNL)
 ------------------------------------------------------------------------- */
 
+#include "neighbor.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
 #include "nbin.h"

src/npair.cpp

@@ -11,8 +11,8 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "npair.h"
+#include <cmath>
 #include "neighbor.h"
 #include "neigh_request.h"
 #include "nbin.h"

src/ntopo.cpp

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

src/ntopo_angle_all.cpp

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

src/ntopo_angle_partial.cpp

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

src/ntopo_angle_template.cpp

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

src/ntopo_bond_all.cpp

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

src/ntopo_bond_partial.cpp

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

src/ntopo_bond_template.cpp

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

src/ntopo_dihedral_all.cpp

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

src/ntopo_dihedral_partial.cpp

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

src/ntopo_dihedral_template.cpp

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

src/ntopo_improper_all.cpp

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

src/ntopo_improper_partial.cpp

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

src/ntopo_improper_template.cpp

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

src/output.cpp

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

src/pair.cpp

@@ -15,12 +15,12 @@
    Contributing author: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair.h"
 #include <mpi.h>
 #include <cfloat>    // IWYU pragma: keep
 #include <climits>   // IWYU pragma: keep
 #include <cmath>
 #include <cstring>
-#include "pair.h"
 #include "atom.h"
 #include "neighbor.h"
 #include "domain.h"

src/pair_beck.cpp

@@ -15,9 +15,9 @@
    Contributing author: Jonathan Zimmerman (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "pair_beck.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_beck.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_born.cpp

@@ -15,10 +15,10 @@
    Contributing Author: Sai Jayaraman (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "pair_born.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "pair_born.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_born_coul_dsf.cpp

@@ -16,9 +16,9 @@
    References: Fennell and Gezelter, JCP 124, 234104 (2006)
 ------------------------------------------------------------------------- */
 
+#include "pair_born_coul_dsf.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_born_coul_dsf.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_born_coul_wolf.cpp

@@ -15,9 +15,9 @@
    Contributing author: Yongfeng Zhang (INL), yongfeng.zhang@inl.gov
 ------------------------------------------------------------------------- */
 
+#include "pair_born_coul_wolf.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_born_coul_wolf.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_buck.cpp

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

src/pair_buck_coul_cut.cpp

@@ -15,9 +15,9 @@
    Contributing author: Eduardo Bringa (LLNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_buck_coul_cut.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_buck_coul_cut.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_coul_cut.cpp

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

src/pair_coul_debye.cpp

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

src/pair_coul_dsf.cpp

@@ -16,10 +16,10 @@
    References: Fennell and Gezelter, JCP 124, 234104 (2006)
 ------------------------------------------------------------------------- */
 
+#include "pair_coul_dsf.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "pair_coul_dsf.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_coul_streitz.cpp

@@ -15,11 +15,11 @@
    Contributing author: Ray Shan (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "pair_coul_streitz.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "pair_coul_streitz.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_coul_wolf.cpp

@@ -15,9 +15,9 @@
    Contributing author: Yongfeng Zhang (INL), yongfeng.zhang@inl.gov
 ------------------------------------------------------------------------- */
 
+#include "pair_coul_wolf.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_coul_wolf.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_deprecated.cpp

@@ -15,8 +15,8 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "pair_deprecated.h"
+#include <cstring>
 #include "pair_hybrid.h"
 #include "comm.h"
 #include "force.h"

src/pair_dpd.cpp

@@ -15,9 +15,9 @@
    Contributing author: Kurt Smith (U Pittsburgh)
 ------------------------------------------------------------------------- */
 
+#include "pair_dpd.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_dpd.h"
 #include "atom.h"
 #include "comm.h"
 #include "update.h"

src/pair_dpd_tstat.cpp

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

src/pair_gauss.cpp

@@ -15,10 +15,10 @@
    Contributing author: Sai Jayaraman (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "pair_gauss.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "pair_gauss.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_hybrid.cpp

@@ -12,10 +12,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "pair_hybrid.h"
 #include <mpi.h>
 #include <cstring>
 #include <cctype>
-#include "pair_hybrid.h"
 #include "atom.h"
 #include "force.h"
 #include "pair.h"

src/pair_hybrid_overlay.cpp

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

src/pair_lj96_cut.cpp

@@ -15,10 +15,10 @@
    Contributing author: Chuanfu Luo (luochuanfu@gmail.com)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj96_cut.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
-#include "pair_lj96_cut.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_lj_cubic.cpp

@@ -16,9 +16,9 @@
    Contributing author: Aidan Thompson (SNL)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_cubic.h"
 #include <mpi.h>
 #include <cmath>
-#include "pair_lj_cubic.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_lj_cut.cpp

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

src/pair_lj_cut_coul_cut.cpp

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

src/pair_lj_cut_coul_debye.cpp

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

src/pair_lj_cut_coul_wolf.cpp

@@ -15,11 +15,11 @@
    Contributing author: Vishal Boddu (FAU)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_cut_coul_wolf.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_lj_cut_coul_wolf.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_lj_expand.cpp

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

src/pair_lj_gromacs.cpp

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

src/pair_lj_gromacs_coul_gromacs.cpp

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

src/pair_lj_smooth.cpp

@@ -15,10 +15,10 @@
    Contributing author: Craig Maloney (UCSB)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_smooth.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
-#include "pair_lj_smooth.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_lj_smooth_linear.cpp

@@ -15,10 +15,10 @@
    Contributing author: Jonathan Zimmerman (Sandia)
 ------------------------------------------------------------------------- */
 
+#include "pair_lj_smooth_linear.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
-#include "pair_lj_smooth_linear.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_mie_cut.cpp

@@ -15,11 +15,11 @@
    Contributing author: Cassiano Aimoli (aimoli@gmail.com)
 ------------------------------------------------------------------------- */
 
+#include "pair_mie_cut.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_mie_cut.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_morse.cpp

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

src/pair_soft.cpp

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

src/pair_table.cpp

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

src/pair_ufm.cpp

@@ -17,11 +17,11 @@
             Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br
  ------------------------------------------------------------------------- */
 
+#include "pair_ufm.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_ufm.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_yukawa.cpp

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

src/pair_zbl.cpp

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

src/pair_zero.cpp

@@ -15,11 +15,11 @@
    Contributing author: Carsten Svaneborg (SDU)
 ------------------------------------------------------------------------- */
 
+#include "pair_zero.h"
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
 #include <cstring>
-#include "pair_zero.h"
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/procmap.cpp

@@ -15,8 +15,8 @@
    Contributing author (NUMA option) : Mike Brown (ORNL)
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "procmap.h"
+#include <cstring>
 #include "universe.h"
 #include "comm.h"
 #include "domain.h"

src/random_mars.cpp

@@ -14,8 +14,8 @@
 // Marsaglia random number generator
 // see RANMAR in F James, Comp Phys Comm, 60, 329 (1990)
 
-#include <cmath>
 #include "random_mars.h"
+#include <cmath>
 #include "error.h"
 
 using namespace LAMMPS_NS;

src/random_park.cpp

@@ -13,8 +13,8 @@
 
 // Park/Miller RNG
 
-#include <cmath>
 #include "random_park.h"
+#include <cmath>
 #include "error.h"
 
 using namespace LAMMPS_NS;

src/rcb.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "rcb.h"
 #include <mpi.h>
 #include <cstring>
-#include "rcb.h"
 #include "irregular.h"
 #include "memory.h"
 #include "error.h"

src/read_data.cpp

@@ -15,13 +15,13 @@
 // due to OpenMPI bug which sets INT64_MAX via its mpi.h
 //   before lmptype.h can set flags to insure it is done correctly
 
+#include "read_data.h"
 #include "lmptype.h"
 #include <mpi.h>
 #include <cmath>
 #include <cstring>
 #include <cstdlib>
 #include <cctype>
-#include "read_data.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_ellipsoid.h"

src/read_dump.cpp

@@ -19,11 +19,11 @@
 // due to OpenMPI bug which sets INT64_MAX via its mpi.h
 //   before lmptype.h can set flags to insure it is done correctly
 
+#include "read_dump.h"
 #include "lmptype.h"
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
-#include "read_dump.h"
 #include "reader.h"
 #include "style_reader.h"
 #include "atom.h"

src/read_restart.cpp

@@ -11,11 +11,11 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "read_restart.h"
 #include <mpi.h>
 #include <cstring>
 #include <cstdlib>
 #include <dirent.h>
-#include "read_restart.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "domain.h"

src/reader.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "reader.h"
 #include <cstdio>
 #include <cstring>
-#include "reader.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;

src/reader_native.cpp

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

src/reader_xyz.cpp

@@ -15,9 +15,9 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
+#include "reader_xyz.h"
 #include <cstring>
 #include <cstdlib>
-#include "reader_xyz.h"
 #include "atom.h"
 #include "memory.h"
 #include "error.h"

src/region.cpp

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

src/region_block.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "region_block.h"
 #include <cstdlib>
 #include <cstring>
-#include "region_block.h"
 #include "force.h"
 #include "domain.h"
 #include "math_extra.h"

src/region_cone.cpp

@@ -15,10 +15,10 @@
    Contributing author: Pim Schravendijk
 ------------------------------------------------------------------------- */
 
+#include "region_cone.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "region_cone.h"
 #include "domain.h"
 #include "error.h"
 #include "force.h"

src/region_cylinder.cpp

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

src/region_deprecated.cpp

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

src/region_intersect.cpp

@@ -11,9 +11,9 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "region_intersect.h"
 #include <cstdlib>
 #include <cstring>
-#include "region_intersect.h"
 #include "domain.h"
 #include "error.h"
 #include "force.h"

src/region_plane.cpp

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

src/region_prism.cpp

@@ -15,10 +15,10 @@
    Contributing author: Pieter in 't Veld (SNL)
 ------------------------------------------------------------------------- */
 
+#include "region_prism.h"
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
-#include "region_prism.h"
 #include "domain.h"
 #include "force.h"
 #include "math_extra.h"