diff --git a/src/LATTE/fix_latte.cpp b/src/LATTE/fix_latte.cpp index 645b298e09..7d4e89272d 100644 --- a/src/LATTE/fix_latte.cpp +++ b/src/LATTE/fix_latte.cpp @@ -15,9 +15,9 @@ Contributing author: Christian Negre (LANL) ------------------------------------------------------------------------- */ +#include "fix_latte.h" #include #include -#include "fix_latte.h" #include "atom.h" #include "comm.h" #include "update.h" diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp index 5019e7711a..9e9bbcc9d6 100644 --- a/src/MANYBODY/fix_qeq_comb.cpp +++ b/src/MANYBODY/fix_qeq_comb.cpp @@ -15,13 +15,13 @@ Contributing authors: Ray Shan (Sandia, tnshan@sandia.gov) ------------------------------------------------------------------------- */ +#include "fix_qeq_comb.h" #include #include #include #include #include "pair_comb.h" #include "pair_comb3.h" -#include "fix_qeq_comb.h" #include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 68511b8709..8051f97634 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -16,11 +16,11 @@ Chandra Veer Singh (Cornell) ------------------------------------------------------------------------- */ +#include "pair_adp.h" #include #include #include #include -#include "pair_adp.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index e3c5a1627b..fd2016b7a7 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -20,12 +20,12 @@ Thomas C. O'Connor (JHU) 2014 ------------------------------------------------------------------------- */ +#include "pair_airebo.h" #include #include #include #include #include -#include "pair_airebo.h" #include "atom.h" #include "neighbor.h" #include "force.h" diff --git a/src/MANYBODY/pair_atm.cpp b/src/MANYBODY/pair_atm.cpp index c157e0763c..ba68033721 100644 --- a/src/MANYBODY/pair_atm.cpp +++ b/src/MANYBODY/pair_atm.cpp @@ -15,8 +15,8 @@ Contributing author: Sergey Lishchuk ------------------------------------------------------------------------- */ -#include #include "pair_atm.h" +#include #include "atom.h" #include "citeme.h" #include "comm.h" diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index ac157e071c..27c24ce3d7 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -32,12 +32,12 @@ Rules"_http://lammps.sandia.gov/open_source.html ------------------------------------------------------------------------- */ +#include "pair_bop.h" #include #include #include #include #include -#include "pair_bop.h" #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 980aa84b2a..b9a17eeb35 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -18,11 +18,11 @@ and Aidan Thompson's Tersoff code in LAMMPS ------------------------------------------------------------------------- */ +#include "pair_comb.h" #include #include #include #include -#include "pair_comb.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 097f235ff2..846ef7d4b9 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -17,11 +17,11 @@ Dundar Yilmaz (dundar.yilmaz@zirve.edu.tr) ------------------------------------------------------------------------- */ +#include "pair_comb3.h" #include #include #include #include -#include "pair_comb3.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index b7957349b6..e6476b78c5 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -15,11 +15,11 @@ Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL) ------------------------------------------------------------------------- */ +#include "pair_eam.h" #include #include #include #include -#include "pair_eam.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index c004030240..7aae786720 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -15,10 +15,10 @@ Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL) ------------------------------------------------------------------------- */ +#include "pair_eam_alloy.h" #include #include #include -#include "pair_eam_alloy.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp index c111c6d950..55ad597cce 100644 --- a/src/MANYBODY/pair_eam_cd.cpp +++ b/src/MANYBODY/pair_eam_cd.cpp @@ -17,11 +17,11 @@ Germany Department of Materials Science ------------------------------------------------------------------------- */ +#include "pair_eam_cd.h" #include #include #include #include -#include "pair_eam_cd.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index bbda84fdf1..7b13988d0c 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -15,10 +15,10 @@ Contributing authors: Tim Lau (MIT) ------------------------------------------------------------------------- */ +#include "pair_eam_fs.h" #include #include #include -#include "pair_eam_fs.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index f1c028ef38..58cb1fd2e0 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -15,11 +15,11 @@ Contributing author: Xiaowang Zhou (SNL) ------------------------------------------------------------------------- */ +#include "pair_eim.h" #include #include #include #include -#include "pair_eim.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index e4b74f7a29..07e9201f94 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -16,11 +16,11 @@ based on PairTersoff by Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "pair_gw.h" #include #include #include #include -#include "pair_gw.h" #include "atom.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index f3dd1bc04b..cd83727ed3 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/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 #include #include #include -#include "pair_gw_zbl.h" #include "atom.h" #include "update.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp index 05cdea8055..b0240978a9 100644 --- a/src/MANYBODY/pair_lcbop.cpp +++ b/src/MANYBODY/pair_lcbop.cpp @@ -16,12 +16,12 @@ based on pair_airebo by Ase Henry (MIT) ------------------------------------------------------------------------- */ +#include "pair_lcbop.h" #include #include #include #include #include -#include "pair_lcbop.h" #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index a61b403459..ac20c3e61f 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -16,11 +16,11 @@ (based on Stillinger-Weber pair style) ------------------------------------------------------------------------- */ +#include "pair_nb3b_harmonic.h" #include #include #include #include -#include "pair_nb3b_harmonic.h" #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index d3aca4e889..0cca50823d 100644 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -16,11 +16,11 @@ This modifies from pair_tersoff.cpp by Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "pair_polymorphic.h" #include #include #include #include -#include "pair_polymorphic.h" #include "atom.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 5a148fb152..ea47fc97c3 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -15,11 +15,11 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "pair_sw.h" #include #include #include #include -#include "pair_sw.h" #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 213b1037bb..9d7f804f9a 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -15,11 +15,11 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "pair_tersoff.h" #include #include #include #include -#include "pair_tersoff.h" #include "atom.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index e8fdecfe01..df3c41fc33 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -16,11 +16,11 @@ Vitaly Dozhdikov (JIHT of RAS) - MOD addition ------------------------------------------------------------------------- */ +#include "pair_tersoff_mod.h" #include #include #include #include -#include "pair_tersoff_mod.h" #include "atom.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index 4a5904c106..d34291f6cd 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/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 #include #include #include -#include "pair_tersoff_mod_c.h" #include "atom.h" #include "neighbor.h" #include "neigh_list.h" diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index 353e3d2264..6a8aa40782 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -16,11 +16,11 @@ David Farrell (NWU) - ZBL addition ------------------------------------------------------------------------- */ +#include "pair_tersoff_zbl.h" #include #include #include #include -#include "pair_tersoff_zbl.h" #include "atom.h" #include "update.h" #include "neighbor.h" diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index 3d4b1d900e..5055dadfaf 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -16,11 +16,11 @@ Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "pair_vashishta.h" #include #include #include #include -#include "pair_vashishta.h" #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/MANYBODY/pair_vashishta_table.cpp b/src/MANYBODY/pair_vashishta_table.cpp index d4eaa59f1a..726e0f83f1 100644 --- a/src/MANYBODY/pair_vashishta_table.cpp +++ b/src/MANYBODY/pair_vashishta_table.cpp @@ -15,11 +15,11 @@ Contributing author: Anders Hafreager (UiO), andershaf@gmail.com ------------------------------------------------------------------------- */ +#include "pair_vashishta_table.h" #include #include #include #include -#include "pair_vashishta_table.h" #include "atom.h" #include "neighbor.h" #include "neigh_request.h" diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp index 7d817ffbb1..c14efcca46 100644 --- a/src/MC/fix_atom_swap.cpp +++ b/src/MC/fix_atom_swap.cpp @@ -16,11 +16,11 @@ Alexander Stukowski ------------------------------------------------------------------------- */ +#include "fix_atom_swap.h" #include #include #include #include -#include "fix_atom_swap.h" #include "atom.h" #include "atom_vec.h" #include "atom_vec_hybrid.h" diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp index 05edc0509e..1b07395f1e 100644 --- a/src/MC/fix_bond_break.cpp +++ b/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 #include #include #include -#include "fix_bond_break.h" #include "update.h" #include "respa.h" #include "atom.h" diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index e1dd18cb5b..d2d93b67f6 100644 --- a/src/MC/fix_bond_create.cpp +++ b/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 #include #include #include -#include "fix_bond_create.h" #include "update.h" #include "respa.h" #include "atom.h" diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp index 5da2b845d6..187c552416 100644 --- a/src/MC/fix_bond_swap.cpp +++ b/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 #include #include -#include "fix_bond_swap.h" #include "atom.h" #include "force.h" #include "pair.h" diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 4e48b71611..8fe6042c2e 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier, Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "fix_gcmc.h" #include #include #include -#include "fix_gcmc.h" #include "atom.h" #include "atom_vec.h" #include "atom_vec_hybrid.h" diff --git a/src/MC/pair_dsmc.cpp b/src/MC/pair_dsmc.cpp index c71eaa2295..cf48706133 100644 --- a/src/MC/pair_dsmc.cpp +++ b/src/MC/pair_dsmc.cpp @@ -15,12 +15,12 @@ Contributing authors: Paul Crozier (SNL) ------------------------------------------------------------------------- */ +#include "pair_dsmc.h" #include #include #include #include #include -#include "pair_dsmc.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MESSAGE/fix_client_md.cpp b/src/MESSAGE/fix_client_md.cpp index 727481dcc0..7d4ae13f0f 100644 --- a/src/MESSAGE/fix_client_md.cpp +++ b/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 #include -#include "fix_client_md.h" #include "update.h" #include "atom.h" #include "comm.h" diff --git a/src/MESSAGE/message.cpp b/src/MESSAGE/message.cpp index 61221ca26e..f8fc349746 100644 --- a/src/MESSAGE/message.cpp +++ b/src/MESSAGE/message.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "message.h" +#include #include "error.h" // CSlib interface diff --git a/src/MESSAGE/server.cpp b/src/MESSAGE/server.cpp index f587fb76df..dbcec08488 100644 --- a/src/MESSAGE/server.cpp +++ b/src/MESSAGE/server.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "server.h" +#include #include "error.h" // customize by adding a new server protocol include and enum diff --git a/src/MESSAGE/server_md.cpp b/src/MESSAGE/server_md.cpp index bef327616e..e16095ad4c 100644 --- a/src/MESSAGE/server_md.cpp +++ b/src/MESSAGE/server_md.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "server_md.h" #include #include -#include "server_md.h" #include "atom.h" #include "atom_vec.h" #include "update.h" diff --git a/src/MISC/compute_msd_nongauss.cpp b/src/MISC/compute_msd_nongauss.cpp index f6291f4204..e02dd633cb 100644 --- a/src/MISC/compute_msd_nongauss.cpp +++ b/src/MISC/compute_msd_nongauss.cpp @@ -15,8 +15,8 @@ Contributing authors: Rob Hoy ------------------------------------------------------------------------- */ -#include #include "compute_msd_nongauss.h" +#include #include "atom.h" #include "update.h" #include "group.h" diff --git a/src/MISC/compute_ti.cpp b/src/MISC/compute_ti.cpp index d2e43a9f69..266263785f 100644 --- a/src/MISC/compute_ti.cpp +++ b/src/MISC/compute_ti.cpp @@ -15,10 +15,10 @@ Contributing author: Sai Jayaraman (University of Notre Dame) ------------------------------------------------------------------------- */ -#include -#include "atom.h" -#include #include "compute_ti.h" +#include +#include +#include "atom.h" #include "update.h" #include "modify.h" #include "domain.h" diff --git a/src/MISC/dump_xtc.cpp b/src/MISC/dump_xtc.cpp index a82cba20bd..7abe4c4093 100644 --- a/src/MISC/dump_xtc.cpp +++ b/src/MISC/dump_xtc.cpp @@ -22,12 +22,12 @@ support for groups ------------------------------------------------------------------------- */ +#include "dump_xtc.h" #include #include #include #include #include -#include "dump_xtc.h" #include "domain.h" #include "atom.h" #include "update.h" diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp index 66aed34846..22a144da60 100644 --- a/src/MISC/fix_deposit.cpp +++ b/src/MISC/fix_deposit.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_deposit.h" #include #include #include -#include "fix_deposit.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/MISC/fix_efield.cpp b/src/MISC/fix_efield.cpp index 004c8ad7bc..87ece82f57 100644 --- a/src/MISC/fix_efield.cpp +++ b/src/MISC/fix_efield.cpp @@ -16,10 +16,10 @@ Stan Moore (Sandia) for dipole terms ------------------------------------------------------------------------- */ +#include "fix_efield.h" #include #include #include -#include "fix_efield.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/MISC/fix_evaporate.cpp b/src/MISC/fix_evaporate.cpp index 1bf7a15f1f..e2c7844853 100644 --- a/src/MISC/fix_evaporate.cpp +++ b/src/MISC/fix_evaporate.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_evaporate.h" #include #include #include -#include "fix_evaporate.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/MISC/fix_gld.cpp b/src/MISC/fix_gld.cpp index 2bf02889a5..265ee4fb09 100644 --- a/src/MISC/fix_gld.cpp +++ b/src/MISC/fix_gld.cpp @@ -16,10 +16,10 @@ Andrew Baczewski (Michigan State/SNL) ------------------------------------------------------------------------- */ +#include "fix_gld.h" #include #include #include -#include "fix_gld.h" #include "math_extra.h" #include "atom.h" #include "force.h" diff --git a/src/MISC/fix_oneway.cpp b/src/MISC/fix_oneway.cpp index 73853775a3..fcf5a7a0bd 100644 --- a/src/MISC/fix_oneway.cpp +++ b/src/MISC/fix_oneway.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (ICTP, Italy) ------------------------------------------------------------------------- */ -#include #include "fix_oneway.h" +#include #include "atom.h" #include "domain.h" #include "error.h" diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp index 02cce5a014..a300631658 100644 --- a/src/MISC/fix_orient_bcc.cpp +++ b/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 #include #include #include -#include "fix_orient_bcc.h" #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp index fc827ceb8f..d898f95d2c 100644 --- a/src/MISC/fix_orient_fcc.cpp +++ b/src/MISC/fix_orient_fcc.cpp @@ -15,11 +15,11 @@ Contributing authors: Koenraad Janssens and David Olmsted (SNL) ------------------------------------------------------------------------- */ +#include "fix_orient_fcc.h" #include #include #include #include -#include "fix_orient_fcc.h" #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/MISC/fix_thermal_conductivity.cpp b/src/MISC/fix_thermal_conductivity.cpp index f1aec3ff69..8da303c8ab 100644 --- a/src/MISC/fix_thermal_conductivity.cpp +++ b/src/MISC/fix_thermal_conductivity.cpp @@ -16,11 +16,11 @@ for swapping atoms of different masses ------------------------------------------------------------------------- */ +#include "fix_thermal_conductivity.h" #include #include #include #include -#include "fix_thermal_conductivity.h" #include "atom.h" #include "force.h" #include "domain.h" diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp index 170103b0d0..06de732de6 100644 --- a/src/MISC/fix_ttm.cpp +++ b/src/MISC/fix_ttm.cpp @@ -16,11 +16,11 @@ Carolyn Phillips (University of Michigan) ------------------------------------------------------------------------- */ +#include "fix_ttm.h" #include #include #include #include -#include "fix_ttm.h" #include "atom.h" #include "force.h" #include "update.h" diff --git a/src/MISC/fix_viscosity.cpp b/src/MISC/fix_viscosity.cpp index 8e33c1c614..52107954c2 100644 --- a/src/MISC/fix_viscosity.cpp +++ b/src/MISC/fix_viscosity.cpp @@ -16,11 +16,11 @@ for swapping atoms of different masses ------------------------------------------------------------------------- */ +#include "fix_viscosity.h" #include #include #include #include -#include "fix_viscosity.h" #include "atom.h" #include "domain.h" #include "modify.h" diff --git a/src/MISC/pair_nm_cut.cpp b/src/MISC/pair_nm_cut.cpp index 124832b63e..9b8c36da3a 100644 --- a/src/MISC/pair_nm_cut.cpp +++ b/src/MISC/pair_nm_cut.cpp @@ -15,11 +15,11 @@ Contributing Author: Julien Devemy (ICCF) ------------------------------------------------------------------------- */ +#include "pair_nm_cut.h" #include #include #include #include -#include "pair_nm_cut.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp index a8428ab980..069c363817 100644 --- a/src/MISC/pair_nm_cut_coul_cut.cpp +++ b/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 #include #include #include -#include "pair_nm_cut_coul_cut.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp index af21f02881..b3d42b05f8 100644 --- a/src/MISC/pair_nm_cut_coul_long.cpp +++ b/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 #include #include #include -#include "pair_nm_cut_coul_long.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MISC/xdr_compat.cpp b/src/MISC/xdr_compat.cpp index 2d8d0ce7e5..e124d52d7b 100644 --- a/src/MISC/xdr_compat.cpp +++ b/src/MISC/xdr_compat.cpp @@ -1,7 +1,7 @@ +#include "xdr_compat.h" #include #include #include -#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 diff --git a/src/MOLECULE/angle_charmm.cpp b/src/MOLECULE/angle_charmm.cpp index efd1c682f7..fb0afd78c3 100644 --- a/src/MOLECULE/angle_charmm.cpp +++ b/src/MOLECULE/angle_charmm.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ +#include "angle_charmm.h" #include #include -#include "angle_charmm.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/angle_cosine.cpp b/src/MOLECULE/angle_cosine.cpp index 6e1b9fa2fb..aff5130323 100644 --- a/src/MOLECULE/angle_cosine.cpp +++ b/src/MOLECULE/angle_cosine.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "angle_cosine.h" #include #include -#include "angle_cosine.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/angle_cosine_delta.cpp b/src/MOLECULE/angle_cosine_delta.cpp index eca10970f2..13ed00b327 100644 --- a/src/MOLECULE/angle_cosine_delta.cpp +++ b/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 #include -#include "angle_cosine_delta.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/angle_cosine_periodic.cpp b/src/MOLECULE/angle_cosine_periodic.cpp index cb0a26871a..9f7c02cabc 100644 --- a/src/MOLECULE/angle_cosine_periodic.cpp +++ b/src/MOLECULE/angle_cosine_periodic.cpp @@ -15,9 +15,9 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ +#include "angle_cosine_periodic.h" #include #include -#include "angle_cosine_periodic.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/angle_cosine_squared.cpp b/src/MOLECULE/angle_cosine_squared.cpp index 28d63344a4..789a536c98 100644 --- a/src/MOLECULE/angle_cosine_squared.cpp +++ b/src/MOLECULE/angle_cosine_squared.cpp @@ -15,9 +15,9 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U) ------------------------------------------------------------------------- */ +#include "angle_cosine_squared.h" #include #include -#include "angle_cosine_squared.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/angle_harmonic.cpp b/src/MOLECULE/angle_harmonic.cpp index 48b493d9b2..b626bdfae5 100644 --- a/src/MOLECULE/angle_harmonic.cpp +++ b/src/MOLECULE/angle_harmonic.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "angle_harmonic.h" #include #include -#include "angle_harmonic.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp index c18b4c43b0..ce7fcdcaf2 100644 --- a/src/MOLECULE/angle_table.cpp +++ b/src/MOLECULE/angle_table.cpp @@ -15,10 +15,10 @@ Contributing author: Chuanfu Luo (luochuanfu@gmail.com) ------------------------------------------------------------------------- */ +#include "angle_table.h" #include #include #include -#include "angle_table.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/atom_vec_angle.cpp b/src/MOLECULE/atom_vec_angle.cpp index 6eb5b50fd2..f3c48aa87a 100644 --- a/src/MOLECULE/atom_vec_angle.cpp +++ b/src/MOLECULE/atom_vec_angle.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "atom_vec_angle.h" +#include #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/MOLECULE/atom_vec_bond.cpp b/src/MOLECULE/atom_vec_bond.cpp index 6a7b3585b4..b0f76adc45 100644 --- a/src/MOLECULE/atom_vec_bond.cpp +++ b/src/MOLECULE/atom_vec_bond.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "atom_vec_bond.h" +#include #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/MOLECULE/atom_vec_full.cpp b/src/MOLECULE/atom_vec_full.cpp index d682abf799..c9b2402062 100644 --- a/src/MOLECULE/atom_vec_full.cpp +++ b/src/MOLECULE/atom_vec_full.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "atom_vec_full.h" +#include #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/MOLECULE/atom_vec_molecular.cpp b/src/MOLECULE/atom_vec_molecular.cpp index cdd3f02505..524f7bcb0d 100644 --- a/src/MOLECULE/atom_vec_molecular.cpp +++ b/src/MOLECULE/atom_vec_molecular.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "atom_vec_molecular.h" +#include #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/MOLECULE/atom_vec_template.cpp b/src/MOLECULE/atom_vec_template.cpp index 3172804b95..6a12027b7b 100644 --- a/src/MOLECULE/atom_vec_template.cpp +++ b/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 #include -#include "atom_vec_template.h" #include "atom.h" #include "molecule.h" #include "comm.h" diff --git a/src/MOLECULE/bond_fene.cpp b/src/MOLECULE/bond_fene.cpp index c023a7e81e..d4f2a4010e 100644 --- a/src/MOLECULE/bond_fene.cpp +++ b/src/MOLECULE/bond_fene.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "bond_fene.h" #include #include -#include "bond_fene.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_fene_expand.cpp b/src/MOLECULE/bond_fene_expand.cpp index b1bfdc6a1b..3e4ceab42c 100644 --- a/src/MOLECULE/bond_fene_expand.cpp +++ b/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 #include -#include "bond_fene_expand.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_gromos.cpp b/src/MOLECULE/bond_gromos.cpp index f65adeb2cb..44e99d8fe0 100644 --- a/src/MOLECULE/bond_gromos.cpp +++ b/src/MOLECULE/bond_gromos.cpp @@ -15,10 +15,10 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "bond_gromos.h" #include #include #include -#include "bond_gromos.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_harmonic.cpp b/src/MOLECULE/bond_harmonic.cpp index cb8434ce6e..bbbad4102d 100644 --- a/src/MOLECULE/bond_harmonic.cpp +++ b/src/MOLECULE/bond_harmonic.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "bond_harmonic.h" #include #include #include -#include "bond_harmonic.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_morse.cpp b/src/MOLECULE/bond_morse.cpp index 91dd2dbc49..af476d6fe8 100644 --- a/src/MOLECULE/bond_morse.cpp +++ b/src/MOLECULE/bond_morse.cpp @@ -15,9 +15,9 @@ Contributing author: Jeff Greathouse (SNL) ------------------------------------------------------------------------- */ +#include "bond_morse.h" #include #include -#include "bond_morse.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_nonlinear.cpp b/src/MOLECULE/bond_nonlinear.cpp index 9999ead47f..89ddb7b118 100644 --- a/src/MOLECULE/bond_nonlinear.cpp +++ b/src/MOLECULE/bond_nonlinear.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "bond_nonlinear.h" #include #include -#include "bond_nonlinear.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_quartic.cpp b/src/MOLECULE/bond_quartic.cpp index 895202ff00..34b3ad8288 100644 --- a/src/MOLECULE/bond_quartic.cpp +++ b/src/MOLECULE/bond_quartic.cpp @@ -15,9 +15,9 @@ Contributing authors: Chris Lorenz and Mark Stevens (SNL) ------------------------------------------------------------------------- */ +#include "bond_quartic.h" #include #include -#include "bond_quartic.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp index 10851774d7..e80baee6e8 100644 --- a/src/MOLECULE/bond_table.cpp +++ b/src/MOLECULE/bond_table.cpp @@ -15,10 +15,10 @@ Contributing author: Chuanfu Luo (luochuanfu@gmail.com) ------------------------------------------------------------------------- */ +#include "bond_table.h" #include #include #include -#include "bond_table.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index 68c62eb4fd..1905c14358 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -15,11 +15,11 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ +#include "dihedral_charmm.h" #include #include #include #include -#include "dihedral_charmm.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp index f65d01e9ed..9b02b908d6 100644 --- a/src/MOLECULE/dihedral_charmmfsw.cpp +++ b/src/MOLECULE/dihedral_charmmfsw.cpp @@ -18,11 +18,11 @@ with additional assistance from Robert A. Latour, Clemson University ------------------------------------------------------------------------- */ +#include "dihedral_charmmfsw.h" #include #include #include #include -#include "dihedral_charmmfsw.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/dihedral_harmonic.cpp b/src/MOLECULE/dihedral_harmonic.cpp index ddb94dc571..159636ecd5 100644 --- a/src/MOLECULE/dihedral_harmonic.cpp +++ b/src/MOLECULE/dihedral_harmonic.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ +#include "dihedral_harmonic.h" #include #include #include -#include "dihedral_harmonic.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp index d19731c097..a7d2aba1d6 100644 --- a/src/MOLECULE/dihedral_helix.cpp +++ b/src/MOLECULE/dihedral_helix.cpp @@ -16,10 +16,10 @@ Mark Stevens (Sandia) ------------------------------------------------------------------------- */ +#include "dihedral_helix.h" #include #include #include -#include "dihedral_helix.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/dihedral_multi_harmonic.cpp b/src/MOLECULE/dihedral_multi_harmonic.cpp index 04e7bbb627..ba98cf6ddf 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.cpp +++ b/src/MOLECULE/dihedral_multi_harmonic.cpp @@ -15,9 +15,9 @@ Contributing author: Mathias Puetz (SNL) and friends ------------------------------------------------------------------------- */ +#include "dihedral_multi_harmonic.h" #include #include -#include "dihedral_multi_harmonic.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/MOLECULE/dihedral_opls.cpp b/src/MOLECULE/dihedral_opls.cpp index 293245e411..d68eba0bec 100644 --- a/src/MOLECULE/dihedral_opls.cpp +++ b/src/MOLECULE/dihedral_opls.cpp @@ -15,9 +15,9 @@ Contributing author: Mark Stevens (SNL) ------------------------------------------------------------------------- */ +#include "dihedral_opls.h" #include #include -#include "dihedral_opls.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index 3395c7ef14..3d5bf90bdc 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -27,12 +27,12 @@ - MacKerell et al., J. Comput. Chem. 25(2004):1400-1415. ------------------------------------------------------------------------- */ +#include "fix_cmap.h" #include #include #include #include #include -#include "fix_cmap.h" #include "atom.h" #include "atom_vec.h" #include "update.h" diff --git a/src/MOLECULE/improper_cvff.cpp b/src/MOLECULE/improper_cvff.cpp index 01e9729e80..fd24ab69c3 100644 --- a/src/MOLECULE/improper_cvff.cpp +++ b/src/MOLECULE/improper_cvff.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "improper_cvff.h" #include #include #include -#include "improper_cvff.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/improper_harmonic.cpp b/src/MOLECULE/improper_harmonic.cpp index c5421fffdb..936c22e94a 100644 --- a/src/MOLECULE/improper_harmonic.cpp +++ b/src/MOLECULE/improper_harmonic.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "improper_harmonic.h" #include #include #include -#include "improper_harmonic.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/improper_umbrella.cpp b/src/MOLECULE/improper_umbrella.cpp index 3de46df0f3..2e41ac6493 100644 --- a/src/MOLECULE/improper_umbrella.cpp +++ b/src/MOLECULE/improper_umbrella.cpp @@ -15,10 +15,10 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ +#include "improper_umbrella.h" #include #include #include -#include "improper_umbrella.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp index ddc1110081..58666f27d1 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp @@ -15,11 +15,11 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ +#include "pair_hbond_dreiding_lj.h" #include #include #include #include -#include "pair_hbond_dreiding_lj.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp index 055f0ed46b..120a2d8d55 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp @@ -15,11 +15,11 @@ Contributing author: Tod A Pascal (Caltech) ------------------------------------------------------------------------- */ +#include "pair_hbond_dreiding_morse.h" #include #include #include #include -#include "pair_hbond_dreiding_morse.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp index af4611e014..c9becb75c3 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp +++ b/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 #include #include #include -#include "pair_lj_charmm_coul_charmm.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp index d68d5e8f6d..a2be2936b2 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.cpp +++ b/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 #include -#include "pair_lj_charmm_coul_charmm_implicit.h" #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp index 0e1cbd85a5..f2f16c88ce 100644 --- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp +++ b/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 #include #include #include -#include "pair_lj_charmmfsw_coul_charmmfsh.h" #include "atom.h" #include "update.h" #include "comm.h" diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp index 2b3d2c60f5..5bb82d7635 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp +++ b/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 #include #include -#include "pair_lj_cut_tip4p_cut.h" #include "atom.h" #include "force.h" #include "neighbor.h" diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp index e6fb9aab99..1511c09384 100644 --- a/src/MOLECULE/pair_tip4p_cut.cpp +++ b/src/MOLECULE/pair_tip4p_cut.cpp @@ -15,9 +15,9 @@ Contributing author: Pavel Elkind (Gothenburg University) ------------------------------------------------------------------------- */ +#include "pair_tip4p_cut.h" #include #include -#include "pair_tip4p_cut.h" #include "atom.h" #include "force.h" #include "neighbor.h" diff --git a/src/MPIIO/dump_atom_mpiio.cpp b/src/MPIIO/dump_atom_mpiio.cpp index f2f2991442..cde5b6258b 100644 --- a/src/MPIIO/dump_atom_mpiio.cpp +++ b/src/MPIIO/dump_atom_mpiio.cpp @@ -15,8 +15,8 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ -#include #include "dump_atom_mpiio.h" +#include #include "domain.h" #include "atom.h" #include "update.h" diff --git a/src/MPIIO/dump_cfg_mpiio.cpp b/src/MPIIO/dump_cfg_mpiio.cpp index c580d2e7af..90f92d094d 100644 --- a/src/MPIIO/dump_cfg_mpiio.cpp +++ b/src/MPIIO/dump_cfg_mpiio.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ +#include "dump_cfg_mpiio.h" #include #include #include -#include "dump_cfg_mpiio.h" #include "atom.h" #include "domain.h" #include "comm.h" diff --git a/src/MPIIO/dump_custom_mpiio.cpp b/src/MPIIO/dump_custom_mpiio.cpp index 3650ca994e..5838c61124 100644 --- a/src/MPIIO/dump_custom_mpiio.cpp +++ b/src/MPIIO/dump_custom_mpiio.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ +#include "dump_custom_mpiio.h" #include #include #include -#include "dump_custom_mpiio.h" #include "atom.h" #include "force.h" #include "domain.h" diff --git a/src/MPIIO/dump_xyz_mpiio.cpp b/src/MPIIO/dump_xyz_mpiio.cpp index f15d340cd1..7b647561bf 100644 --- a/src/MPIIO/dump_xyz_mpiio.cpp +++ b/src/MPIIO/dump_xyz_mpiio.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ +#include "dump_xyz_mpiio.h" #include #include #include -#include "dump_xyz_mpiio.h" #include "atom.h" #include "force.h" #include "domain.h" diff --git a/src/MPIIO/restart_mpiio.cpp b/src/MPIIO/restart_mpiio.cpp index 804df211dc..e8ef5c6c4e 100644 --- a/src/MPIIO/restart_mpiio.cpp +++ b/src/MPIIO/restart_mpiio.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Coffman (IBM) ------------------------------------------------------------------------- */ +#include "restart_mpiio.h" #include #include -#include "restart_mpiio.h" #include "error.h" using namespace LAMMPS_NS; diff --git a/src/MSCG/fix_mscg.cpp b/src/MSCG/fix_mscg.cpp index b282595240..caa9a528a7 100644 --- a/src/MSCG/fix_mscg.cpp +++ b/src/MSCG/fix_mscg.cpp @@ -15,10 +15,10 @@ Contributing authors: Lauren Abbott (Sandia) ------------------------------------------------------------------------- */ +#include "fix_mscg.h" #include #include #include -#include "fix_mscg.h" #include "mscg.h" #include "atom.h" #include "comm.h" diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp index fc2b6731ee..ad24aaee63 100644 --- a/src/OPT/pair_eam_opt.cpp +++ b/src/OPT/pair_eam_opt.cpp @@ -19,9 +19,9 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ +#include "pair_eam_opt.h" #include #include -#include "pair_eam_opt.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.cpp b/src/OPT/pair_lj_charmm_coul_long_opt.cpp index d80d3d1ec4..3dc6bdb6b4 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.cpp +++ b/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 #include -#include "pair_lj_charmm_coul_long_opt.h" #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/OPT/pair_lj_cut_coul_long_opt.cpp b/src/OPT/pair_lj_cut_coul_long_opt.cpp index a25010cf1f..a1f97aaae9 100644 --- a/src/OPT/pair_lj_cut_coul_long_opt.cpp +++ b/src/OPT/pair_lj_cut_coul_long_opt.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "pair_lj_cut_coul_long_opt.h" +#include #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/OPT/pair_lj_cut_opt.cpp b/src/OPT/pair_lj_cut_opt.cpp index c6684461be..3b3a19a9e8 100644 --- a/src/OPT/pair_lj_cut_opt.cpp +++ b/src/OPT/pair_lj_cut_opt.cpp @@ -18,8 +18,8 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ -#include #include "pair_lj_cut_opt.h" +#include #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp index 92facca43e..f8181d69a6 100644 --- a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp +++ b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp @@ -15,8 +15,8 @@ OPT version: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include #include "pair_lj_cut_tip4p_long_opt.h" +#include #include "atom.h" #include "domain.h" #include "force.h" diff --git a/src/OPT/pair_lj_long_coul_long_opt.cpp b/src/OPT/pair_lj_long_coul_long_opt.cpp index 03853057f4..c323d078c4 100644 --- a/src/OPT/pair_lj_long_coul_long_opt.cpp +++ b/src/OPT/pair_lj_long_coul_long_opt.cpp @@ -15,9 +15,9 @@ OPT version: Wayne Mitchell (Loyola University New Orleans) ------------------------------------------------------------------------- */ +#include "pair_lj_long_coul_long_opt.h" #include #include -#include "pair_lj_long_coul_long_opt.h" #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/OPT/pair_morse_opt.cpp b/src/OPT/pair_morse_opt.cpp index c9c6bba355..1d2e226777 100644 --- a/src/OPT/pair_morse_opt.cpp +++ b/src/OPT/pair_morse_opt.cpp @@ -18,9 +18,9 @@ Vincent Natoli, Stone Ridge Technology ------------------------------------------------------------------------- */ +#include "pair_morse_opt.h" #include #include -#include "pair_morse_opt.h" #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/OPT/pair_ufm_opt.cpp b/src/OPT/pair_ufm_opt.cpp index f463dac3f1..eabb093b18 100644 --- a/src/OPT/pair_ufm_opt.cpp +++ b/src/OPT/pair_ufm_opt.cpp @@ -17,9 +17,9 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ +#include "pair_ufm_opt.h" #include #include -#include "pair_ufm_opt.h" #include "atom.h" #include "force.h" #include "neigh_list.h" diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp index d78fe27c94..f677b24eb2 100644 --- a/src/PERI/atom_vec_peri.cpp +++ b/src/PERI/atom_vec_peri.cpp @@ -15,10 +15,10 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ +#include "atom_vec_peri.h" #include #include #include -#include "atom_vec_peri.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/PERI/compute_damage_atom.cpp b/src/PERI/compute_damage_atom.cpp index 4bf8fa17a5..f5a532cd0b 100644 --- a/src/PERI/compute_damage_atom.cpp +++ b/src/PERI/compute_damage_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ -#include #include "compute_damage_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/PERI/compute_dilatation_atom.cpp b/src/PERI/compute_dilatation_atom.cpp index 990731a227..7a6607d65c 100644 --- a/src/PERI/compute_dilatation_atom.cpp +++ b/src/PERI/compute_dilatation_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Rezwanur Rahman, John Foster (UTSA) ------------------------------------------------------------------------- */ -#include #include "compute_dilatation_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/PERI/compute_plasticity_atom.cpp b/src/PERI/compute_plasticity_atom.cpp index d08fb98e07..0b20bc5075 100644 --- a/src/PERI/compute_plasticity_atom.cpp +++ b/src/PERI/compute_plasticity_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Rezwanur Rahman, John Foster (UTSA) ------------------------------------------------------------------------- */ -#include #include "compute_plasticity_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index 66137e6a01..297936577f 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -15,8 +15,8 @@ Contributing authors: Mike Parks (SNL), Ezwanur Rahman, J.T. Foster (UTSA) ------------------------------------------------------------------------- */ -#include #include "fix_peri_neigh.h" +#include #include "pair_peri_pmb.h" #include "pair_peri_lps.h" #include "pair_peri_ves.h" diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp index c00495ba4d..07314081da 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -15,10 +15,10 @@ Contributing author: Rezwanur Rahman, John Foster (UTSA) ------------------------------------------------------------------------- */ +#include "pair_peri_eps.h" #include #include #include -#include "pair_peri_eps.h" #include "atom.h" #include "domain.h" #include "lattice.h" diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index f0418c8c8d..660209f3f5 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -15,10 +15,10 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ +#include "pair_peri_lps.h" #include #include #include -#include "pair_peri_lps.h" #include "atom.h" #include "domain.h" #include "lattice.h" diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp index ad2f3fb7c7..fa53efc344 100644 --- a/src/PERI/pair_peri_pmb.cpp +++ b/src/PERI/pair_peri_pmb.cpp @@ -15,11 +15,11 @@ Contributing author: Mike Parks (SNL) ------------------------------------------------------------------------- */ +#include "pair_peri_pmb.h" #include #include #include #include -#include "pair_peri_pmb.h" #include "atom.h" #include "domain.h" #include "lattice.h" diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index 24a9f92a97..1687bed35d 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -15,10 +15,10 @@ Contributing authors: Rezwanur Rahman, J.T. Foster (UTSA) ------------------------------------------------------------------------- */ +#include "pair_peri_ves.h" #include #include #include -#include "pair_peri_ves.h" #include "atom.h" #include "domain.h" #include "lattice.h" diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp index 41cfcede34..6d943a79db 100644 --- a/src/POEMS/fix_poems.cpp +++ b/src/POEMS/fix_poems.cpp @@ -17,13 +17,13 @@ Kurt Anderson (anderk5@rpi.edu) ------------------------------------------------------------------------- */ +#include "fix_poems.h" #include #include #include #include #include #include "workspace.h" -#include "fix_poems.h" #include "atom.h" #include "domain.h" #include "update.h" diff --git a/src/PYTHON/fix_python_invoke.cpp b/src/PYTHON/fix_python_invoke.cpp index 7fa9861c3f..57ea2e9148 100644 --- a/src/PYTHON/fix_python_invoke.cpp +++ b/src/PYTHON/fix_python_invoke.cpp @@ -15,9 +15,9 @@ Contributing author: Richard Berger (Temple U) ------------------------------------------------------------------------- */ +#include "fix_python_invoke.h" #include // IWYU pragma: keep #include -#include "fix_python_invoke.h" #include "force.h" #include "update.h" #include "error.h" diff --git a/src/PYTHON/fix_python_move.cpp b/src/PYTHON/fix_python_move.cpp index b253df6828..be63b851a2 100644 --- a/src/PYTHON/fix_python_move.cpp +++ b/src/PYTHON/fix_python_move.cpp @@ -15,9 +15,9 @@ Contributing author: Richard Berger (Temple U) ------------------------------------------------------------------------- */ +#include "fix_python_move.h" #include // IWYU pragma: keep #include -#include "fix_python_move.h" #include "lmppython.h" #include "error.h" #include "python_compat.h" diff --git a/src/PYTHON/pair_python.cpp b/src/PYTHON/pair_python.cpp index 5b8f23400b..0d79a31946 100644 --- a/src/PYTHON/pair_python.cpp +++ b/src/PYTHON/pair_python.cpp @@ -15,10 +15,10 @@ Contributing authors: Axel Kohlmeyer and Richard Berger (Temple U) ------------------------------------------------------------------------- */ +#include "pair_python.h" #include // IWYU pragma: keep #include #include -#include "pair_python.h" #include "atom.h" #include "force.h" #include "memory.h" diff --git a/src/PYTHON/python_impl.cpp b/src/PYTHON/python_impl.cpp index 7456021675..1188942e75 100644 --- a/src/PYTHON/python_impl.cpp +++ b/src/PYTHON/python_impl.cpp @@ -15,10 +15,10 @@ Contributing author: Richard Berger and Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "python_impl.h" #include #include #include // IWYU pragma: keep -#include "python_impl.h" #include "force.h" #include "input.h" #include "variable.h" diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index 0ab010b7bb..2e0b7edbe5 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -16,11 +16,11 @@ Based on fix qeq/reax by H. Metin Aktulga ------------------------------------------------------------------------- */ +#include "fix_qeq.h" #include #include #include #include -#include "fix_qeq.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index ba88f4f1c3..fb5fd2ddac 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -15,11 +15,11 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ +#include "fix_qeq_dynamic.h" #include #include #include #include -#include "fix_qeq_dynamic.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/QEQ/fix_qeq_fire.cpp b/src/QEQ/fix_qeq_fire.cpp index 1e3686f99c..561a82b714 100644 --- a/src/QEQ/fix_qeq_fire.cpp +++ b/src/QEQ/fix_qeq_fire.cpp @@ -15,11 +15,11 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ +#include "fix_qeq_fire.h" #include #include #include #include -#include "fix_qeq_fire.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index 9517343974..bb3ce835fc 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -15,11 +15,11 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ +#include "fix_qeq_point.h" #include #include #include #include -#include "fix_qeq_point.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index a74eee7d29..60ff62ca07 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -15,11 +15,11 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ +#include "fix_qeq_shielded.h" #include #include #include #include -#include "fix_qeq_shielded.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp index 3443a519a2..95105b5ef2 100644 --- a/src/QEQ/fix_qeq_slater.cpp +++ b/src/QEQ/fix_qeq_slater.cpp @@ -15,11 +15,11 @@ Contributing author: Ray Shan (Sandia) ------------------------------------------------------------------------- */ +#include "fix_qeq_slater.h" #include #include #include #include -#include "fix_qeq_slater.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/REPLICA/compute_event_displace.cpp b/src/REPLICA/compute_event_displace.cpp index df14221586..4c8d022d70 100644 --- a/src/REPLICA/compute_event_displace.cpp +++ b/src/REPLICA/compute_event_displace.cpp @@ -15,11 +15,11 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ +#include "compute_event_displace.h" #include #include #include #include -#include "compute_event_displace.h" #include "atom.h" #include "domain.h" #include "modify.h" diff --git a/src/REPLICA/fix_event.cpp b/src/REPLICA/fix_event.cpp index 8fc5de6b16..8cf1acba94 100644 --- a/src/REPLICA/fix_event.cpp +++ b/src/REPLICA/fix_event.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL), Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "fix_event.h" #include #include -#include "fix_event.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/REPLICA/fix_event_hyper.cpp b/src/REPLICA/fix_event_hyper.cpp index eae1ad021d..3dd1a03eb9 100644 --- a/src/REPLICA/fix_event_hyper.cpp +++ b/src/REPLICA/fix_event_hyper.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_event_hyper.h" #include #include -#include "fix_event_hyper.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/REPLICA/fix_event_prd.cpp b/src/REPLICA/fix_event_prd.cpp index a311a6444a..63c9c2718b 100644 --- a/src/REPLICA/fix_event_prd.cpp +++ b/src/REPLICA/fix_event_prd.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ +#include "fix_event_prd.h" #include #include -#include "fix_event_prd.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/REPLICA/fix_event_tad.cpp b/src/REPLICA/fix_event_tad.cpp index 0916fdf493..b92bc1fd73 100644 --- a/src/REPLICA/fix_event_tad.cpp +++ b/src/REPLICA/fix_event_tad.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ +#include "fix_event_tad.h" #include #include -#include "fix_event_tad.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/REPLICA/fix_hyper.cpp b/src/REPLICA/fix_hyper.cpp index c86c00ad45..21a4fde04d 100644 --- a/src/REPLICA/fix_hyper.cpp +++ b/src/REPLICA/fix_hyper.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_hyper.h" +#include using namespace LAMMPS_NS; diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp index 0c76b29911..a58798a63e 100644 --- a/src/REPLICA/fix_hyper_global.cpp +++ b/src/REPLICA/fix_hyper_global.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_hyper_global.h" #include #include #include #include -#include "fix_hyper_global.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp index a6db4419f0..555c5234f6 100644 --- a/src/REPLICA/fix_hyper_local.cpp +++ b/src/REPLICA/fix_hyper_local.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_hyper_local.h" #include #include #include #include -#include "fix_hyper_local.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index e1b1e46a53..2803c37b23 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -16,11 +16,11 @@ new options for inter-replica forces, first/last replica treatment ------------------------------------------------------------------------- */ +#include "fix_neb.h" #include #include #include #include -#include "fix_neb.h" #include "universe.h" #include "update.h" #include "atom.h" diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp index 00b91684e9..c400ae097d 100644 --- a/src/REPLICA/hyper.cpp +++ b/src/REPLICA/hyper.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "hyper.h" #include #include #include -#include "hyper.h" #include "update.h" #include "atom.h" #include "domain.h" diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp index 6b68c52dbb..b670f3d8f1 100644 --- a/src/REPLICA/neb.cpp +++ b/src/REPLICA/neb.cpp @@ -15,12 +15,12 @@ // 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 "neb.h" #include "lmptype.h" #include #include #include #include -#include "neb.h" #include "universe.h" #include "atom.h" #include "update.h" diff --git a/src/REPLICA/prd.cpp b/src/REPLICA/prd.cpp index 6d450f48e3..19a12ddbbb 100644 --- a/src/REPLICA/prd.cpp +++ b/src/REPLICA/prd.cpp @@ -19,12 +19,12 @@ // 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 "prd.h" #include "lmptype.h" #include #include #include #include -#include "prd.h" #include "universe.h" #include "update.h" #include "atom.h" diff --git a/src/REPLICA/tad.cpp b/src/REPLICA/tad.cpp index da42ba6fae..90667b8865 100644 --- a/src/REPLICA/tad.cpp +++ b/src/REPLICA/tad.cpp @@ -19,12 +19,12 @@ // 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 "tad.h" #include "lmptype.h" #include #include #include #include -#include "tad.h" #include "universe.h" #include "update.h" #include "atom.h" diff --git a/src/REPLICA/temper.cpp b/src/REPLICA/temper.cpp index fe3e3fb993..6eb50c8d9f 100644 --- a/src/REPLICA/temper.cpp +++ b/src/REPLICA/temper.cpp @@ -15,10 +15,10 @@ Contributing author: Mark Sears (SNL) ------------------------------------------------------------------------- */ +#include "temper.h" #include #include #include -#include "temper.h" #include "universe.h" #include "domain.h" #include "atom.h" diff --git a/src/REPLICA/verlet_split.cpp b/src/REPLICA/verlet_split.cpp index 7042fc6993..f268afe7f8 100644 --- a/src/REPLICA/verlet_split.cpp +++ b/src/REPLICA/verlet_split.cpp @@ -15,8 +15,8 @@ Contributing authors: Yuxing Peng and Chris Knight (U Chicago) ------------------------------------------------------------------------- */ -#include #include "verlet_split.h" +#include #include "universe.h" #include "neighbor.h" #include "domain.h" diff --git a/src/RIGID/compute_erotate_rigid.cpp b/src/RIGID/compute_erotate_rigid.cpp index a3ddffd9ab..1a7236e263 100644 --- a/src/RIGID/compute_erotate_rigid.cpp +++ b/src/RIGID/compute_erotate_rigid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_erotate_rigid.h" #include #include -#include "compute_erotate_rigid.h" #include "update.h" #include "force.h" #include "modify.h" diff --git a/src/RIGID/compute_ke_rigid.cpp b/src/RIGID/compute_ke_rigid.cpp index 4de13532b2..66b7a92566 100644 --- a/src/RIGID/compute_ke_rigid.cpp +++ b/src/RIGID/compute_ke_rigid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_ke_rigid.h" #include #include -#include "compute_ke_rigid.h" #include "update.h" #include "force.h" #include "modify.h" diff --git a/src/RIGID/compute_rigid_local.cpp b/src/RIGID/compute_rigid_local.cpp index ec2799b6bc..75334bb759 100644 --- a/src/RIGID/compute_rigid_local.cpp +++ b/src/RIGID/compute_rigid_local.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_rigid_local.h" #include #include -#include "compute_rigid_local.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/RIGID/fix_ehex.cpp b/src/RIGID/fix_ehex.cpp index 0bbdea51c6..a5efc22d11 100644 --- a/src/RIGID/fix_ehex.cpp +++ b/src/RIGID/fix_ehex.cpp @@ -22,10 +22,10 @@ which implements the heat exchange (HEX) algorithm. ------------------------------------------------------------------------- */ +#include "fix_ehex.h" #include #include #include -#include "fix_ehex.h" #include "atom.h" #include "domain.h" #include "region.h" diff --git a/src/RIGID/fix_rattle.cpp b/src/RIGID/fix_rattle.cpp index db43b9e82d..93bf610e94 100644 --- a/src/RIGID/fix_rattle.cpp +++ b/src/RIGID/fix_rattle.cpp @@ -15,10 +15,10 @@ Contributing author: Peter Wirnsberger (University of Cambridge) ------------------------------------------------------------------------- */ +#include "fix_rattle.h" #include #include #include -#include "fix_rattle.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index 19eb22a7fa..912f529403 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_rigid.h" #include #include #include #include -#include "fix_rigid.h" #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/RIGID/fix_rigid_nh.cpp b/src/RIGID/fix_rigid_nh.cpp index 2e1090ec88..4738e253f6 100644 --- a/src/RIGID/fix_rigid_nh.cpp +++ b/src/RIGID/fix_rigid_nh.cpp @@ -17,9 +17,9 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ +#include "fix_rigid_nh.h" #include #include -#include "fix_rigid_nh.h" #include "math_extra.h" #include "atom.h" #include "compute.h" diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 8de588bd9b..1545e913c0 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -17,10 +17,10 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ +#include "fix_rigid_nh_small.h" #include #include #include -#include "fix_rigid_nh_small.h" #include "math_extra.h" #include "atom.h" #include "compute.h" diff --git a/src/RIGID/fix_rigid_nph.cpp b/src/RIGID/fix_rigid_nph.cpp index 6080fb05af..706e08ec12 100644 --- a/src/RIGID/fix_rigid_nph.cpp +++ b/src/RIGID/fix_rigid_nph.cpp @@ -17,8 +17,8 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include #include "fix_rigid_nph.h" +#include #include "modify.h" #include "error.h" diff --git a/src/RIGID/fix_rigid_nph_small.cpp b/src/RIGID/fix_rigid_nph_small.cpp index 9b045eaf13..32ac58220d 100644 --- a/src/RIGID/fix_rigid_nph_small.cpp +++ b/src/RIGID/fix_rigid_nph_small.cpp @@ -17,8 +17,8 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include #include "fix_rigid_nph_small.h" +#include #include "modify.h" #include "error.h" diff --git a/src/RIGID/fix_rigid_npt.cpp b/src/RIGID/fix_rigid_npt.cpp index 526fc8f614..1f19fb4ec7 100644 --- a/src/RIGID/fix_rigid_npt.cpp +++ b/src/RIGID/fix_rigid_npt.cpp @@ -17,8 +17,8 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include #include "fix_rigid_npt.h" +#include #include "modify.h" #include "error.h" diff --git a/src/RIGID/fix_rigid_npt_small.cpp b/src/RIGID/fix_rigid_npt_small.cpp index fff338d687..e8924be79f 100644 --- a/src/RIGID/fix_rigid_npt_small.cpp +++ b/src/RIGID/fix_rigid_npt_small.cpp @@ -17,8 +17,8 @@ Miller et al., J Chem Phys. 116, 8649-8659 (2002) ------------------------------------------------------------------------- */ -#include #include "fix_rigid_npt_small.h" +#include #include "modify.h" #include "error.h" diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 8c2feb6436..14e230ab9c 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -11,12 +11,12 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_rigid_small.h" #include #include #include #include #include -#include "fix_rigid_small.h" #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp index 5c202706af..48a08118c5 100644 --- a/src/RIGID/fix_shake.cpp +++ b/src/RIGID/fix_shake.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_shake.h" #include #include #include #include -#include "fix_shake.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp index 5e81b75c0d..5e85b39076 100644 --- a/src/SHOCK/fix_append_atoms.cpp +++ b/src/SHOCK/fix_append_atoms.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_append_atoms.h" #include #include #include -#include "fix_append_atoms.h" #include "atom.h" #include "atom_vec.h" #include "comm.h" diff --git a/src/SHOCK/fix_msst.cpp b/src/SHOCK/fix_msst.cpp index 15ee4d370f..2e9f751824 100644 --- a/src/SHOCK/fix_msst.cpp +++ b/src/SHOCK/fix_msst.cpp @@ -17,10 +17,10 @@ see Reed, Fried, Joannopoulos, Phys Rev Lett, 90, 235503 (2003) ------------------------------------------------------------------------- */ +#include "fix_msst.h" #include #include #include -#include "fix_msst.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/SHOCK/fix_nphug.cpp b/src/SHOCK/fix_nphug.cpp index 5d5a1642c0..8ad787d759 100644 --- a/src/SHOCK/fix_nphug.cpp +++ b/src/SHOCK/fix_nphug.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_nphug.h" #include #include -#include "fix_nphug.h" #include "modify.h" #include "error.h" #include "update.h" diff --git a/src/SHOCK/fix_wall_piston.cpp b/src/SHOCK/fix_wall_piston.cpp index 31f70b4174..5a359d9f6f 100644 --- a/src/SHOCK/fix_wall_piston.cpp +++ b/src/SHOCK/fix_wall_piston.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_wall_piston.h" #include #include -#include "fix_wall_piston.h" #include "atom.h" #include "domain.h" #include "lattice.h" diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp index cc7a84281e..7ca9d52467 100644 --- a/src/SNAP/compute_sna_atom.cpp +++ b/src/SNAP/compute_sna_atom.cpp @@ -10,10 +10,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "sna.h" + +#include "compute_sna_atom.h" #include #include -#include "compute_sna_atom.h" +#include "sna.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp index 37587a0aae..7e71e4a556 100644 --- a/src/SNAP/compute_snad_atom.cpp +++ b/src/SNAP/compute_snad_atom.cpp @@ -10,10 +10,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "sna.h" + +#include "compute_snad_atom.h" #include #include -#include "compute_snad_atom.h" +#include "sna.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp index 5faf7a1872..28c018b1cc 100644 --- a/src/SNAP/compute_snav_atom.cpp +++ b/src/SNAP/compute_snav_atom.cpp @@ -10,9 +10,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ + +#include "compute_snav_atom.h" #include #include -#include "compute_snav_atom.h" #include "sna.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index f0f3ef72c6..56f59c7fcc 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "pair_snap.h" #include #include #include #include -#include "pair_snap.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/SNAP/sna.cpp b/src/SNAP/sna.cpp index d7d9b5163d..9194e44c21 100644 --- a/src/SNAP/sna.cpp +++ b/src/SNAP/sna.cpp @@ -15,8 +15,8 @@ Contributing authors: Aidan Thompson, Christian Trott, SNL ------------------------------------------------------------------------- */ -#include #include "sna.h" +#include #include "math_const.h" #include "memory.h" #include "error.h" diff --git a/src/SPIN/atom_vec_spin.cpp b/src/SPIN/atom_vec_spin.cpp index 37d6fb1e59..5810ecf85b 100644 --- a/src/SPIN/atom_vec_spin.cpp +++ b/src/SPIN/atom_vec_spin.cpp @@ -23,11 +23,11 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "atom_vec_spin.h" #include #include #include #include "atom.h" -#include "atom_vec_spin.h" #include "comm.h" #include "domain.h" #include "error.h" diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp index ec11bc68f2..8dad128994 100644 --- a/src/SPIN/compute_spin.cpp +++ b/src/SPIN/compute_spin.cpp @@ -21,9 +21,9 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "compute_spin.h" #include #include -#include "compute_spin.h" #include "atom.h" #include "error.h" #include "force.h" diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp index 6936c701c6..ec9c98c4f8 100644 --- a/src/SPIN/fix_langevin_spin.cpp +++ b/src/SPIN/fix_langevin_spin.cpp @@ -21,9 +21,9 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "fix_langevin_spin.h" #include #include -#include "fix_langevin_spin.h" #include "comm.h" #include "error.h" #include "force.h" diff --git a/src/SPIN/fix_neb_spin.cpp b/src/SPIN/fix_neb_spin.cpp index 7ed8967a24..5acbbf59e8 100644 --- a/src/SPIN/fix_neb_spin.cpp +++ b/src/SPIN/fix_neb_spin.cpp @@ -21,10 +21,10 @@ Computer Physics Communications, 196, 335-347. ------------------------------------------------------------------------- */ +#include "fix_neb_spin.h" #include #include #include -#include "fix_neb_spin.h" #include "universe.h" #include "update.h" #include "atom.h" diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp index d35585c7a6..1165048723 100644 --- a/src/SPIN/fix_nve_spin.cpp +++ b/src/SPIN/fix_nve_spin.cpp @@ -21,8 +21,8 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ -#include #include "fix_nve_spin.h" +#include #include "atom.h" #include "citeme.h" #include "comm.h" diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp index 7764bb0438..3296b28228 100644 --- a/src/SPIN/fix_precession_spin.cpp +++ b/src/SPIN/fix_precession_spin.cpp @@ -21,10 +21,10 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "fix_precession_spin.h" #include #include #include -#include "fix_precession_spin.h" #include "atom.h" #include "error.h" #include "force.h" diff --git a/src/SPIN/fix_setforce_spin.cpp b/src/SPIN/fix_setforce_spin.cpp index 1ab35c9663..15e5aacfb6 100644 --- a/src/SPIN/fix_setforce_spin.cpp +++ b/src/SPIN/fix_setforce_spin.cpp @@ -21,8 +21,8 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ -#include #include "fix_setforce_spin.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/SPIN/min_spin.cpp b/src/SPIN/min_spin.cpp index 3a330f448a..2514645325 100644 --- a/src/SPIN/min_spin.cpp +++ b/src/SPIN/min_spin.cpp @@ -17,10 +17,10 @@ Please cite the related publication: ------------------------------------------------------------------------- */ +#include "min_spin.h" #include #include #include -#include "min_spin.h" #include "universe.h" #include "atom.h" #include "force.h" diff --git a/src/SPIN/neb_spin.cpp b/src/SPIN/neb_spin.cpp index 400ce3d363..2bcfe6573a 100644 --- a/src/SPIN/neb_spin.cpp +++ b/src/SPIN/neb_spin.cpp @@ -21,11 +21,11 @@ Computer Physics Communications, 196, 335-347. ------------------------------------------------------------------------- */ +#include "neb_spin.h" #include #include #include #include -#include "neb_spin.h" #include "citeme.h" #include "force.h" #include "universe.h" diff --git a/src/SPIN/pair_spin.cpp b/src/SPIN/pair_spin.cpp index 93d9a1e127..fef247c09b 100644 --- a/src/SPIN/pair_spin.cpp +++ b/src/SPIN/pair_spin.cpp @@ -21,8 +21,8 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ -#include #include "pair_spin.h" +#include #include "atom.h" #include "error.h" #include "fix.h" diff --git a/src/SPIN/pair_spin_dipole_cut.cpp b/src/SPIN/pair_spin_dipole_cut.cpp index 8d9b5b8f2b..fb0ec8bb20 100644 --- a/src/SPIN/pair_spin_dipole_cut.cpp +++ b/src/SPIN/pair_spin_dipole_cut.cpp @@ -21,10 +21,10 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "pair_spin_dipole_cut.h" #include #include #include -#include "pair_spin_dipole_cut.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/SPIN/pair_spin_dipole_long.cpp b/src/SPIN/pair_spin_dipole_long.cpp index 84c55a8c3c..670fccfce2 100644 --- a/src/SPIN/pair_spin_dipole_long.cpp +++ b/src/SPIN/pair_spin_dipole_long.cpp @@ -16,10 +16,10 @@ Stan Moore (SNL) ------------------------------------------------------------------------- */ +#include "pair_spin_dipole_long.h" #include #include #include -#include "pair_spin_dipole_long.h" #include "atom.h" #include "comm.h" #include "neighbor.h" diff --git a/src/SPIN/pair_spin_dmi.cpp b/src/SPIN/pair_spin_dmi.cpp index 651f4397bd..afd2deaa6a 100644 --- a/src/SPIN/pair_spin_dmi.cpp +++ b/src/SPIN/pair_spin_dmi.cpp @@ -21,10 +21,10 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "pair_spin_dmi.h" #include #include #include -#include "pair_spin_dmi.h" #include "atom.h" #include "comm.h" #include "error.h" diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp index 059a8f5f34..cc28018ad0 100644 --- a/src/SPIN/pair_spin_exchange.cpp +++ b/src/SPIN/pair_spin_exchange.cpp @@ -21,10 +21,10 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "pair_spin_exchange.h" #include #include #include -#include "pair_spin_exchange.h" #include "atom.h" #include "comm.h" #include "error.h" diff --git a/src/SPIN/pair_spin_magelec.cpp b/src/SPIN/pair_spin_magelec.cpp index 55b96582c8..6756ebc3cc 100644 --- a/src/SPIN/pair_spin_magelec.cpp +++ b/src/SPIN/pair_spin_magelec.cpp @@ -21,10 +21,10 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "pair_spin_magelec.h" #include #include #include -#include "pair_spin_magelec.h" #include "atom.h" #include "comm.h" #include "error.h" diff --git a/src/SPIN/pair_spin_neel.cpp b/src/SPIN/pair_spin_neel.cpp index 4d68dbdc22..355ba20f39 100644 --- a/src/SPIN/pair_spin_neel.cpp +++ b/src/SPIN/pair_spin_neel.cpp @@ -21,10 +21,10 @@ and molecular dynamics. Journal of Computational Physics. ------------------------------------------------------------------------- */ +#include "pair_spin_neel.h" #include #include #include -#include "pair_spin_neel.h" #include "atom.h" #include "comm.h" #include "error.h" diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp index a20ec212fd..d5eec91f50 100644 --- a/src/SRD/fix_srd.cpp +++ b/src/SRD/fix_srd.cpp @@ -15,10 +15,10 @@ Contributing authors: Jeremy Lechman (SNL), Pieter in 't Veld (BASF) ------------------------------------------------------------------------- */ +#include "fix_srd.h" #include #include #include -#include "fix_srd.h" #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/SRD/fix_wall_srd.cpp b/src/SRD/fix_wall_srd.cpp index cb0f023640..ab113df28a 100644 --- a/src/SRD/fix_wall_srd.cpp +++ b/src/SRD/fix_wall_srd.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_wall_srd.h" #include #include -#include "fix_wall_srd.h" #include "fix.h" #include "domain.h" #include "lattice.h" diff --git a/src/USER-ADIOS/dump_atom_adios.cpp b/src/USER-ADIOS/dump_atom_adios.cpp index 55d6c5fbf9..e711b8a583 100644 --- a/src/USER-ADIOS/dump_atom_adios.cpp +++ b/src/USER-ADIOS/dump_atom_adios.cpp @@ -16,6 +16,7 @@ ------------------------------------------------------------------------- */ #include "dump_atom_adios.h" +#include #include "atom.h" #include "domain.h" #include "error.h" @@ -23,7 +24,6 @@ #include "memory.h" #include "universe.h" #include "update.h" -#include #include "adios2.h" diff --git a/src/USER-ADIOS/dump_custom_adios.cpp b/src/USER-ADIOS/dump_custom_adios.cpp index 67f3deeb64..ee6d7d7e49 100644 --- a/src/USER-ADIOS/dump_custom_adios.cpp +++ b/src/USER-ADIOS/dump_custom_adios.cpp @@ -16,6 +16,8 @@ ------------------------------------------------------------------------- */ #include "dump_custom_adios.h" +#include +#include #include "atom.h" #include "compute.h" #include "domain.h" @@ -30,8 +32,6 @@ #include "universe.h" #include "update.h" #include "variable.h" -#include -#include #include "adios2.h" diff --git a/src/USER-ATC/fix_atc.cpp b/src/USER-ATC/fix_atc.cpp index f53343ced1..e2a1768f55 100644 --- a/src/USER-ATC/fix_atc.cpp +++ b/src/USER-ATC/fix_atc.cpp @@ -11,8 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -// LAMMPS #include "fix_atc.h" +#include +#include +#include #include "fix_nve.h" #include "atom.h" #include "force.h" @@ -24,7 +26,7 @@ #include "pointers.h" #include "comm.h" #include "group.h" -// ATC + #include "ATC_Method.h" #include "ATC_Transfer.h" #include "ATC_TransferKernel.h" @@ -34,10 +36,6 @@ #include "ATC_CouplingMass.h" #include "ATC_CouplingMomentumEnergy.h" #include "LammpsInterface.h" -// other -#include -#include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-AWPMD/atom_vec_wavepacket.cpp b/src/USER-AWPMD/atom_vec_wavepacket.cpp index 7556dd2c8e..bc70c0dbc2 100644 --- a/src/USER-AWPMD/atom_vec_wavepacket.cpp +++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp @@ -15,10 +15,10 @@ Contributing author: Ilya Valuev (JIHT, Moscow, Russia) ------------------------------------------------------------------------- */ +#include "atom_vec_wavepacket.h" #include #include #include -#include "atom_vec_wavepacket.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/USER-AWPMD/fix_nve_awpmd.cpp b/src/USER-AWPMD/fix_nve_awpmd.cpp index 7722c93121..57ad17f3e6 100644 --- a/src/USER-AWPMD/fix_nve_awpmd.cpp +++ b/src/USER-AWPMD/fix_nve_awpmd.cpp @@ -15,10 +15,10 @@ Contributing author: Ilya Valuev (JIHT, Moscow, Russia) ------------------------------------------------------------------------- */ +#include "fix_nve_awpmd.h" #include #include #include -#include "fix_nve_awpmd.h" #include "atom.h" #include "force.h" #include "update.h" diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp index 1b7bf35c28..ae2fbc59fa 100644 --- a/src/USER-AWPMD/pair_awpmd_cut.cpp +++ b/src/USER-AWPMD/pair_awpmd_cut.cpp @@ -15,11 +15,11 @@ Contributing author: Ilya Valuev (JIHT, Moscow, Russia) ------------------------------------------------------------------------- */ +#include "pair_awpmd_cut.h" #include #include #include #include -#include "pair_awpmd_cut.h" #include "atom.h" #include "update.h" #include "min.h" diff --git a/src/USER-BOCS/compute_pressure_bocs.cpp b/src/USER-BOCS/compute_pressure_bocs.cpp index fc24efab4c..33163f7aff 100644 --- a/src/USER-BOCS/compute_pressure_bocs.cpp +++ b/src/USER-BOCS/compute_pressure_bocs.cpp @@ -14,10 +14,10 @@ from The Pennsylvania State University ------------------------------------------------------------------------- */ +#include "compute_pressure_bocs.h" #include #include #include -#include "compute_pressure_bocs.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/USER-BOCS/fix_bocs.cpp b/src/USER-BOCS/fix_bocs.cpp index 7bdb8933e3..e0952086dd 100644 --- a/src/USER-BOCS/fix_bocs.cpp +++ b/src/USER-BOCS/fix_bocs.cpp @@ -14,10 +14,10 @@ from The Pennsylvania State University ------------------------------------------------------------------------- */ +#include "fix_bocs.h" #include #include #include -#include "fix_bocs.h" #include "math_extra.h" #include "atom.h" #include "force.h" diff --git a/src/USER-CGDNA/bond_oxdna2_fene.cpp b/src/USER-CGDNA/bond_oxdna2_fene.cpp index 39cbb04f88..2cd7883600 100644 --- a/src/USER-CGDNA/bond_oxdna2_fene.cpp +++ b/src/USER-CGDNA/bond_oxdna2_fene.cpp @@ -14,9 +14,9 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "bond_oxdna2_fene.h" #include #include -#include "bond_oxdna2_fene.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/bond_oxdna_fene.cpp b/src/USER-CGDNA/bond_oxdna_fene.cpp index 8271668e3f..8b94fd6a5a 100644 --- a/src/USER-CGDNA/bond_oxdna_fene.cpp +++ b/src/USER-CGDNA/bond_oxdna_fene.cpp @@ -14,9 +14,9 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "bond_oxdna_fene.h" #include #include -#include "bond_oxdna_fene.h" #include "atom.h" #include "neighbor.h" #include "domain.h" diff --git a/src/USER-CGDNA/fix_nve_dot.cpp b/src/USER-CGDNA/fix_nve_dot.cpp index 72b3388793..3bf6757df7 100644 --- a/src/USER-CGDNA/fix_nve_dot.cpp +++ b/src/USER-CGDNA/fix_nve_dot.cpp @@ -14,10 +14,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "fix_nve_dot.h" #include #include #include -#include "fix_nve_dot.h" #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/USER-CGDNA/fix_nve_dotc_langevin.cpp b/src/USER-CGDNA/fix_nve_dotc_langevin.cpp index c73801c97a..61e3552f11 100644 --- a/src/USER-CGDNA/fix_nve_dotc_langevin.cpp +++ b/src/USER-CGDNA/fix_nve_dotc_langevin.cpp @@ -15,10 +15,10 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "fix_nve_dotc_langevin.h" #include #include #include -#include "fix_nve_dotc_langevin.h" #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp index dfea97f0bf..1d0a2eb494 100644 --- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp +++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna2_coaxstk.h" #include #include #include #include -#include "pair_oxdna2_coaxstk.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGDNA/pair_oxdna2_dh.cpp b/src/USER-CGDNA/pair_oxdna2_dh.cpp index b4afad12db..22fc79dae4 100644 --- a/src/USER-CGDNA/pair_oxdna2_dh.cpp +++ b/src/USER-CGDNA/pair_oxdna2_dh.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna2_dh.h" #include #include #include #include -#include "pair_oxdna2_dh.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGDNA/pair_oxdna2_excv.cpp b/src/USER-CGDNA/pair_oxdna2_excv.cpp index 4329fbe071..de4f8319b9 100644 --- a/src/USER-CGDNA/pair_oxdna2_excv.cpp +++ b/src/USER-CGDNA/pair_oxdna2_excv.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna2_excv.h" #include #include #include #include -#include "pair_oxdna2_excv.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/pair_oxdna2_stk.cpp b/src/USER-CGDNA/pair_oxdna2_stk.cpp index f479572aa6..3b9480bff6 100644 --- a/src/USER-CGDNA/pair_oxdna2_stk.cpp +++ b/src/USER-CGDNA/pair_oxdna2_stk.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna2_stk.h" #include #include #include #include -#include "pair_oxdna2_stk.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp index 6f3fa4fa4e..7310f60ec3 100644 --- a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp +++ b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna_coaxstk.h" #include #include #include #include -#include "pair_oxdna_coaxstk.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGDNA/pair_oxdna_excv.cpp b/src/USER-CGDNA/pair_oxdna_excv.cpp index 82af5ed1c7..68091f4190 100644 --- a/src/USER-CGDNA/pair_oxdna_excv.cpp +++ b/src/USER-CGDNA/pair_oxdna_excv.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna_excv.h" #include #include #include #include -#include "pair_oxdna_excv.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGDNA/pair_oxdna_hbond.cpp b/src/USER-CGDNA/pair_oxdna_hbond.cpp index 8cd28f10c8..2de05e66ae 100644 --- a/src/USER-CGDNA/pair_oxdna_hbond.cpp +++ b/src/USER-CGDNA/pair_oxdna_hbond.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna_hbond.h" #include #include #include #include -#include "pair_oxdna_hbond.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGDNA/pair_oxdna_stk.cpp b/src/USER-CGDNA/pair_oxdna_stk.cpp index 93c65979ac..aaa25039ef 100644 --- a/src/USER-CGDNA/pair_oxdna_stk.cpp +++ b/src/USER-CGDNA/pair_oxdna_stk.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna_stk.h" #include #include #include #include -#include "pair_oxdna_stk.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGDNA/pair_oxdna_xstk.cpp b/src/USER-CGDNA/pair_oxdna_xstk.cpp index 1365d0d2b2..806f8a42c6 100644 --- a/src/USER-CGDNA/pair_oxdna_xstk.cpp +++ b/src/USER-CGDNA/pair_oxdna_xstk.cpp @@ -14,11 +14,11 @@ Contributing author: Oliver Henrich (University of Strathclyde, Glasgow) ------------------------------------------------------------------------- */ +#include "pair_oxdna_xstk.h" #include #include #include #include -#include "pair_oxdna_xstk.h" #include "mf_oxdna.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-CGSDK/angle_sdk.cpp b/src/USER-CGSDK/angle_sdk.cpp index 823c725e07..575b0fae69 100644 --- a/src/USER-CGSDK/angle_sdk.cpp +++ b/src/USER-CGSDK/angle_sdk.cpp @@ -18,9 +18,9 @@ lj/sdk potential for coarse grained MD simulations. ------------------------------------------------------------------------- */ +#include "angle_sdk.h" #include #include -#include "angle_sdk.h" #include "atom.h" #include "neighbor.h" #include "pair.h" diff --git a/src/USER-CGSDK/pair_lj_sdk.cpp b/src/USER-CGSDK/pair_lj_sdk.cpp index 7dd6c04436..b22469566e 100644 --- a/src/USER-CGSDK/pair_lj_sdk.cpp +++ b/src/USER-CGSDK/pair_lj_sdk.cpp @@ -16,11 +16,11 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ +#include "pair_lj_sdk.h" #include #include #include #include -#include "pair_lj_sdk.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp index 33a1659df9..5fba8cde66 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp +++ b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp @@ -16,11 +16,11 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ +#include "pair_lj_sdk_coul_long.h" #include #include #include #include -#include "pair_lj_sdk_coul_long.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp index d26f8efcdc..b61ed5528f 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp +++ b/src/USER-CGSDK/pair_lj_sdk_coul_msm.cpp @@ -16,11 +16,11 @@ This style is a simplified re-implementation of the CG/CMM pair style ------------------------------------------------------------------------- */ +#include "pair_lj_sdk_coul_msm.h" #include #include #include #include -#include "pair_lj_sdk_coul_msm.h" #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/USER-COLVARS/colvarproxy_lammps.cpp b/src/USER-COLVARS/colvarproxy_lammps.cpp index 651999f79c..685c698ab6 100644 --- a/src/USER-COLVARS/colvarproxy_lammps.cpp +++ b/src/USER-COLVARS/colvarproxy_lammps.cpp @@ -8,7 +8,20 @@ // Colvars repository at GitHub. +#include "colvarproxy_lammps.h" #include +#include +#include +#include + +#include +#include +#include + +#include +#include +#include + #include "lammps.h" #include "atom.h" #include "error.h" @@ -22,19 +35,6 @@ #include "colvarbias.h" #include "colvaratoms.h" #include "colvarproxy.h" -#include "colvarproxy_lammps.h" - -#include -#include -#include - -#include -#include -#include - -#include -#include -#include #define HASH_FAIL -1 diff --git a/src/USER-COLVARS/fix_colvars.cpp b/src/USER-COLVARS/fix_colvars.cpp index ff0e8fb334..9331fe7abb 100644 --- a/src/USER-COLVARS/fix_colvars.cpp +++ b/src/USER-COLVARS/fix_colvars.cpp @@ -24,13 +24,13 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "fix_colvars.h" #include #include #include #include #include -#include "fix_colvars.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/USER-COLVARS/group_ndx.cpp b/src/USER-COLVARS/group_ndx.cpp index 858336c9d5..7350712c40 100644 --- a/src/USER-COLVARS/group_ndx.cpp +++ b/src/USER-COLVARS/group_ndx.cpp @@ -17,15 +17,14 @@ ------------------------------------------------------------------------- */ #include "group_ndx.h" +#include +#include #include "atom.h" #include "comm.h" #include "group.h" #include "memory.h" #include "error.h" -#include -#include - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- diff --git a/src/USER-COLVARS/ndx_group.cpp b/src/USER-COLVARS/ndx_group.cpp index 7b46364f18..5436ba7b6b 100644 --- a/src/USER-COLVARS/ndx_group.cpp +++ b/src/USER-COLVARS/ndx_group.cpp @@ -17,6 +17,9 @@ ------------------------------------------------------------------------- */ #include "ndx_group.h" +#include +#include +#include #include "atom.h" #include "comm.h" #include "group.h" @@ -24,10 +27,6 @@ #include "force.h" #include "error.h" -#include -#include -#include - using namespace LAMMPS_NS; #define BUFLEN 4096 #define DELTA 16384