From 55704368d0f0ccc785579b574707cfd1d9c6a57e Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 3 Sep 2020 01:45:05 -0400 Subject: [PATCH] include updates for commonly used packages --- src/BODY/body_nparticle.cpp | 15 +++++------ src/BODY/body_rounded_polygon.cpp | 14 +++++----- src/BODY/body_rounded_polyhedron.cpp | 15 +++++------ src/BODY/compute_body_local.cpp | 8 +++--- src/COLLOID/fix_wall_colloid.cpp | 1 - src/COMPRESS/dump_atom_zstd.cpp | 4 +-- src/COMPRESS/dump_cfg_zstd.cpp | 6 ++--- src/COMPRESS/dump_custom_zstd.cpp | 4 +-- src/COMPRESS/dump_xyz_zstd.cpp | 3 +-- src/DIPOLE/atom_vec_dipole.cpp | 11 +++----- src/KSPACE/ewald.cpp | 14 +++++----- src/KSPACE/ewald_dipole.cpp | 16 +++++------- src/KSPACE/ewald_dipole_spin.cpp | 16 +++++------- src/KSPACE/ewald_disp.cpp | 22 ++++++++-------- src/KSPACE/fft3d_wrap.cpp | 2 +- src/KSPACE/fix_tune_kspace.cpp | 20 +++++++-------- src/KSPACE/gridcomm.cpp | 8 +++--- src/KSPACE/msm.cpp | 20 +++++++-------- src/KSPACE/pppm.cpp | 35 ++++++++++++------------- src/KSPACE/pppm_cg.cpp | 16 +++++------- src/KSPACE/pppm_dipole_spin.cpp | 19 ++++++-------- src/KSPACE/pppm_disp.cpp | 32 +++++++++++------------ src/KSPACE/remap_wrap.cpp | 2 +- src/MANYBODY/pair_bop.cpp | 1 - src/MANYBODY/pair_eam_alloy.cpp | 9 +++---- src/MANYBODY/pair_eam_fs.cpp | 9 +++---- src/MANYBODY/pair_eim.cpp | 20 +++++++-------- src/MANYBODY/pair_gw_zbl.cpp | 19 ++++++-------- src/MANYBODY/pair_sw.cpp | 1 - src/MANYBODY/pair_tersoff.cpp | 1 - src/MANYBODY/pair_tersoff_mod.cpp | 13 ++++------ src/MANYBODY/pair_tersoff_mod_c.cpp | 13 ++++------ src/MANYBODY/pair_tersoff_zbl.cpp | 15 +++++------ src/MC/fix_widom.cpp | 38 +++++++++++++--------------- src/MC/pair_dsmc.cpp | 10 +++----- src/MISC/fix_deposit.cpp | 25 +++++++++--------- src/MISC/fix_oneway.cpp | 5 ++-- src/MISC/fix_orient_bcc.cpp | 24 ++++++++---------- src/MISC/fix_viscosity.cpp | 8 +++--- src/MLIAP/mliap_data.cpp | 21 +++++---------- src/MLIAP/mliap_descriptor.cpp | 5 ---- src/reader_native.cpp | 1 - 42 files changed, 234 insertions(+), 307 deletions(-) diff --git a/src/BODY/body_nparticle.cpp b/src/BODY/body_nparticle.cpp index a99c025e1f..e63d50f814 100644 --- a/src/BODY/body_nparticle.cpp +++ b/src/BODY/body_nparticle.cpp @@ -12,16 +12,15 @@ ------------------------------------------------------------------------- */ #include "body_nparticle.h" -#include -#include -#include "my_pool_chunk.h" -#include "math_extra.h" -#include "atom_vec_body.h" + #include "atom.h" -#include "force.h" -#include "memory.h" +#include "atom_vec_body.h" #include "error.h" -#include "fmt/format.h" +#include "math_extra.h" +#include "memory.h" +#include "my_pool_chunk.h" + +#include using namespace LAMMPS_NS; diff --git a/src/BODY/body_rounded_polygon.cpp b/src/BODY/body_rounded_polygon.cpp index 349ad957c2..c43484dca2 100644 --- a/src/BODY/body_rounded_polygon.cpp +++ b/src/BODY/body_rounded_polygon.cpp @@ -16,17 +16,17 @@ ------------------------------------------------------------------------- */ #include "body_rounded_polygon.h" -#include -#include -#include "my_pool_chunk.h" -#include "atom_vec_body.h" + #include "atom.h" -#include "force.h" +#include "atom_vec_body.h" #include "domain.h" +#include "error.h" #include "math_extra.h" #include "memory.h" -#include "error.h" -#include "fmt/format.h" +#include "my_pool_chunk.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/BODY/body_rounded_polyhedron.cpp b/src/BODY/body_rounded_polyhedron.cpp index cb84517b6f..18fd65c1dd 100644 --- a/src/BODY/body_rounded_polyhedron.cpp +++ b/src/BODY/body_rounded_polyhedron.cpp @@ -16,17 +16,16 @@ ------------------------------------------------------------------------- */ #include "body_rounded_polyhedron.h" -#include -#include -#include -#include "my_pool_chunk.h" -#include "atom_vec_body.h" + #include "atom.h" -#include "force.h" +#include "atom_vec_body.h" +#include "error.h" #include "math_extra.h" #include "memory.h" -#include "error.h" -#include "fmt/format.h" +#include "my_pool_chunk.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/BODY/compute_body_local.cpp b/src/BODY/compute_body_local.cpp index 861ffbe4a7..cf570d71a3 100644 --- a/src/BODY/compute_body_local.cpp +++ b/src/BODY/compute_body_local.cpp @@ -13,14 +13,14 @@ #include "compute_body_local.h" -#include #include "atom.h" #include "atom_vec_body.h" #include "body.h" -#include "update.h" -#include "force.h" -#include "memory.h" #include "error.h" +#include "memory.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/COLLOID/fix_wall_colloid.cpp b/src/COLLOID/fix_wall_colloid.cpp index 61b52a6585..ef5bfb72e1 100644 --- a/src/COLLOID/fix_wall_colloid.cpp +++ b/src/COLLOID/fix_wall_colloid.cpp @@ -19,7 +19,6 @@ #include #include "atom.h" -#include "atom_vec.h" #include "error.h" using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_atom_zstd.cpp b/src/COMPRESS/dump_atom_zstd.cpp index a993f58809..8fb08db3c8 100644 --- a/src/COMPRESS/dump_atom_zstd.cpp +++ b/src/COMPRESS/dump_atom_zstd.cpp @@ -17,12 +17,12 @@ #ifdef LAMMPS_ZSTD -#include "dump_atom_zstd.h" #include "domain.h" +#include "dump_atom_zstd.h" #include "error.h" +#include "file_writer.h" #include "update.h" - #include diff --git a/src/COMPRESS/dump_cfg_zstd.cpp b/src/COMPRESS/dump_cfg_zstd.cpp index 51819772f6..5948a3f83e 100644 --- a/src/COMPRESS/dump_cfg_zstd.cpp +++ b/src/COMPRESS/dump_cfg_zstd.cpp @@ -16,16 +16,16 @@ ------------------------------------------------------------------------- */ #ifdef LAMMPS_ZSTD -#include "dump_cfg_zstd.h" + #include "atom.h" #include "domain.h" +#include "dump_cfg_zstd.h" #include "error.h" +#include "file_writer.h" #include "update.h" - #include - using namespace LAMMPS_NS; #define UNWRAPEXPAND 10.0 diff --git a/src/COMPRESS/dump_custom_zstd.cpp b/src/COMPRESS/dump_custom_zstd.cpp index d0f5335813..c7ede3b38c 100644 --- a/src/COMPRESS/dump_custom_zstd.cpp +++ b/src/COMPRESS/dump_custom_zstd.cpp @@ -17,12 +17,12 @@ #ifdef LAMMPS_ZSTD -#include "dump_custom_zstd.h" #include "domain.h" +#include "dump_custom_zstd.h" #include "error.h" +#include "file_writer.h" #include "update.h" - #include diff --git a/src/COMPRESS/dump_xyz_zstd.cpp b/src/COMPRESS/dump_xyz_zstd.cpp index 839e743654..eb0600f34b 100644 --- a/src/COMPRESS/dump_xyz_zstd.cpp +++ b/src/COMPRESS/dump_xyz_zstd.cpp @@ -19,12 +19,11 @@ #include "dump_xyz_zstd.h" #include "error.h" +#include "file_writer.h" #include "update.h" - #include - using namespace LAMMPS_NS; DumpXYZZstd::DumpXYZZstd(LAMMPS *lmp, int narg, char **arg) : diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp index 66de360f6e..4193b5c6a8 100644 --- a/src/DIPOLE/atom_vec_dipole.cpp +++ b/src/DIPOLE/atom_vec_dipole.cpp @@ -12,15 +12,10 @@ ------------------------------------------------------------------------- */ #include "atom_vec_dipole.h" -#include -#include "atom.h" -#include "comm.h" -#include "domain.h" -#include "modify.h" -#include "fix.h" -#include "memory.h" -#include "error.h" +#include "atom.h" + +#include using namespace LAMMPS_NS; diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp index 4aa95318db..6133df398f 100644 --- a/src/KSPACE/ewald.cpp +++ b/src/KSPACE/ewald.cpp @@ -19,19 +19,17 @@ ------------------------------------------------------------------------- */ #include "ewald.h" -#include -#include -#include + #include "atom.h" #include "comm.h" -#include "force.h" -#include "pair.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "math_const.h" #include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "pair.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/ewald_dipole.cpp b/src/KSPACE/ewald_dipole.cpp index 1921b8dc55..33d21b416e 100644 --- a/src/KSPACE/ewald_dipole.cpp +++ b/src/KSPACE/ewald_dipole.cpp @@ -16,22 +16,20 @@ ------------------------------------------------------------------------- */ #include "ewald_dipole.h" -#include -#include -#include -#include + #include "atom.h" #include "comm.h" -#include "force.h" -#include "pair.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "math_const.h" #include "math_special.h" #include "memory.h" -#include "error.h" +#include "pair.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/ewald_dipole_spin.cpp b/src/KSPACE/ewald_dipole_spin.cpp index bdbb737de8..94cacd3a75 100644 --- a/src/KSPACE/ewald_dipole_spin.cpp +++ b/src/KSPACE/ewald_dipole_spin.cpp @@ -16,21 +16,19 @@ ------------------------------------------------------------------------- */ #include "ewald_dipole_spin.h" -#include -#include -#include -#include + #include "atom.h" #include "comm.h" -#include "force.h" -#include "pair.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "math_const.h" #include "memory.h" -#include "error.h" +#include "pair.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp index b616b2ae5d..546ac472c9 100644 --- a/src/KSPACE/ewald_disp.cpp +++ b/src/KSPACE/ewald_disp.cpp @@ -16,23 +16,21 @@ ------------------------------------------------------------------------- */ #include "ewald_disp.h" -#include -#include -#include -#include -#include "math_vector.h" -#include "math_const.h" -#include "math_special.h" + #include "atom.h" #include "comm.h" -#include "force.h" -#include "pair.h" #include "domain.h" -#include "memory.h" #include "error.h" +#include "force.h" +#include "math_const.h" +#include "math_special.h" +#include "math_vector.h" +#include "memory.h" +#include "pair.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/fft3d_wrap.cpp b/src/KSPACE/fft3d_wrap.cpp index 507b23d27d..d0e3a2b50c 100644 --- a/src/KSPACE/fft3d_wrap.cpp +++ b/src/KSPACE/fft3d_wrap.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fft3d_wrap.h" -#include + #include "error.h" using namespace LAMMPS_NS; diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp index 3288f15ff7..c205f9de05 100644 --- a/src/KSPACE/fix_tune_kspace.cpp +++ b/src/KSPACE/fix_tune_kspace.cpp @@ -16,24 +16,22 @@ ------------------------------------------------------------------------- */ #include "fix_tune_kspace.h" -#include -#include -#include #include "comm.h" -#include "update.h" +#include "compute.h" +#include "error.h" #include "force.h" #include "info.h" #include "kspace.h" -#include "pair.h" -#include "error.h" -#include "memory.h" -#include "timer.h" -#include "neighbor.h" #include "modify.h" -#include "compute.h" - +#include "neighbor.h" +#include "pair.h" +#include "timer.h" +#include "update.h" +#include +#include +#include #define SWAP(a,b) {temp=(a);(a)=(b);(b)=temp;} #define SIGN(a,b) ((b) >= 0.0 ? fabs(a) : -fabs(a)) diff --git a/src/KSPACE/gridcomm.cpp b/src/KSPACE/gridcomm.cpp index 4024670b9f..0f899d31cf 100644 --- a/src/KSPACE/gridcomm.cpp +++ b/src/KSPACE/gridcomm.cpp @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #include "gridcomm.h" -#include + #include "comm.h" -#include "kspace.h" -#include "irregular.h" -#include "memory.h" #include "error.h" +#include "irregular.h" +#include "kspace.h" +#include "memory.h" using namespace LAMMPS_NS; diff --git a/src/KSPACE/msm.cpp b/src/KSPACE/msm.cpp index 00bdac53db..d0f4d38686 100644 --- a/src/KSPACE/msm.cpp +++ b/src/KSPACE/msm.cpp @@ -16,22 +16,20 @@ ------------------------------------------------------------------------- */ #include "msm.h" -#include -#include -#include + #include "atom.h" #include "comm.h" -#include "gridcomm.h" -#include "neighbor.h" -#include "force.h" -#include "pair.h" #include "domain.h" -#include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" - +#include "force.h" +#include "gridcomm.h" #include "math_const.h" +#include "memory.h" +#include "neighbor.h" +#include "pair.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index 9ce8ded7dd..41ffec4f3b 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -19,28 +19,25 @@ ------------------------------------------------------------------------- */ #include "pppm.h" -#include -#include -#include -#include -#include "atom.h" -#include "comm.h" -#include "gridcomm.h" -#include "neighbor.h" -#include "force.h" -#include "pair.h" -#include "bond.h" -#include "angle.h" -#include "domain.h" -#include "fft3d_wrap.h" -#include "remap_wrap.h" -#include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "angle.h" +#include "atom.h" +#include "bond.h" +#include "comm.h" +#include "domain.h" +#include "error.h" +#include "fft3d_wrap.h" +#include "force.h" +#include "gridcomm.h" #include "math_const.h" #include "math_special.h" +#include "memory.h" +#include "neighbor.h" +#include "pair.h" +#include "remap_wrap.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pppm_cg.cpp b/src/KSPACE/pppm_cg.cpp index fa5235d6eb..b319014c78 100644 --- a/src/KSPACE/pppm_cg.cpp +++ b/src/KSPACE/pppm_cg.cpp @@ -16,20 +16,18 @@ ------------------------------------------------------------------------- */ #include "pppm_cg.h" -#include -#include -#include + #include "atom.h" -#include "gridcomm.h" #include "domain.h" #include "error.h" -#include "force.h" -#include "neighbor.h" -#include "memory.h" +#include "gridcomm.h" #include "math_const.h" +#include "memory.h" +#include "neighbor.h" #include "remap.h" -#include "utils.h" -#include "fmt/format.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pppm_dipole_spin.cpp b/src/KSPACE/pppm_dipole_spin.cpp index 4e33c11793..595c257331 100644 --- a/src/KSPACE/pppm_dipole_spin.cpp +++ b/src/KSPACE/pppm_dipole_spin.cpp @@ -16,22 +16,19 @@ ------------------------------------------------------------------------- */ #include "pppm_dipole_spin.h" -#include -#include -#include + #include "atom.h" #include "comm.h" -#include "gridcomm.h" -#include "force.h" -#include "pair.h" #include "domain.h" -#include "memory.h" #include "error.h" -#include "update.h" -#include "utils.h" -#include "fmt/format.h" - +#include "force.h" +#include "gridcomm.h" #include "math_const.h" +#include "memory.h" +#include "pair.h" +#include "update.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp index fba3f27938..a484751a81 100644 --- a/src/KSPACE/pppm_disp.cpp +++ b/src/KSPACE/pppm_disp.cpp @@ -17,26 +17,24 @@ ------------------------------------------------------------------------- */ #include "pppm_disp.h" -#include -#include -#include -#include -#include "math_const.h" -#include "atom.h" -#include "comm.h" -#include "gridcomm.h" -#include "neighbor.h" -#include "force.h" -#include "pair.h" -#include "bond.h" + #include "angle.h" +#include "atom.h" +#include "bond.h" +#include "comm.h" #include "domain.h" -#include "fft3d_wrap.h" -#include "remap_wrap.h" -#include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "fft3d_wrap.h" +#include "force.h" +#include "gridcomm.h" +#include "math_const.h" +#include "memory.h" +#include "neighbor.h" +#include "pair.h" +#include "remap_wrap.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/remap_wrap.cpp b/src/KSPACE/remap_wrap.cpp index 7929cd053c..4aaaa1329e 100644 --- a/src/KSPACE/remap_wrap.cpp +++ b/src/KSPACE/remap_wrap.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "remap_wrap.h" -#include + #include "error.h" using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index cf7268ab62..e7c2f64672 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -46,7 +46,6 @@ #include "text_file_reader.h" #include "tokenizer.h" -#include #include #include diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index 193134c24c..d30f46aa36 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -17,15 +17,14 @@ #include "pair_eam_alloy.h" -#include #include "atom.h" #include "comm.h" -#include "force.h" -#include "memory.h" #include "error.h" - -#include "tokenizer.h" +#include "memory.h" #include "potential_file_reader.h" +#include "tokenizer.h" + +#include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index 78d7f4646d..dd45d12da3 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -17,15 +17,14 @@ #include "pair_eam_fs.h" -#include #include "atom.h" #include "comm.h" -#include "force.h" -#include "memory.h" #include "error.h" - -#include "tokenizer.h" +#include "memory.h" #include "potential_file_reader.h" +#include "tokenizer.h" + +#include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index a17947b7fe..cb5a95faa2 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -17,19 +17,17 @@ #include "pair_eim.h" +#include "atom.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neighbor.h" +#include "tokenizer.h" + #include #include -#include "atom.h" -#include "force.h" -#include "comm.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" - -#include "tokenizer.h" -#include "potential_file_reader.h" - using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index dc33ab20a9..ee3bebda13 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -18,20 +18,17 @@ #include "pair_gw_zbl.h" -#include - -#include -#include "atom.h" -#include "update.h" -#include "force.h" #include "comm.h" -#include "memory.h" #include "error.h" - -#include "tokenizer.h" -#include "potential_file_reader.h" - #include "math_const.h" +#include "memory.h" +#include "potential_file_reader.h" +#include "tokenizer.h" +#include "update.h" + +#include +#include + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 4e010d816c..2deb45ac75 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -26,7 +26,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "text_file_reader.h" #include "tokenizer.h" #include diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index a654922182..c08c722e5f 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -28,7 +28,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "text_file_reader.h" #include "tokenizer.h" #include diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index b02545fb2b..ea40125ce4 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -18,19 +18,16 @@ #include "pair_tersoff_mod.h" -#include - -#include -#include "atom.h" -#include "force.h" #include "comm.h" +#include "error.h" #include "math_const.h" #include "math_special.h" #include "memory.h" -#include "error.h" - -#include "tokenizer.h" #include "potential_file_reader.h" +#include "tokenizer.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index 325e9ac677..6a6497afae 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -17,17 +17,14 @@ #include "pair_tersoff_mod_c.h" -#include - -#include -#include "atom.h" -#include "force.h" #include "comm.h" -#include "memory.h" #include "error.h" - -#include "tokenizer.h" +#include "memory.h" #include "potential_file_reader.h" +#include "tokenizer.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index 4c967b4ebb..fad89195b2 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -18,20 +18,17 @@ #include "pair_tersoff_zbl.h" -#include - -#include -#include "atom.h" -#include "update.h" -#include "force.h" #include "comm.h" -#include "memory.h" #include "error.h" #include "math_const.h" #include "math_special.h" - -#include "tokenizer.h" +#include "memory.h" #include "potential_file_reader.h" +#include "tokenizer.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MC/fix_widom.cpp b/src/MC/fix_widom.cpp index a87ead64a7..d7fdf69b86 100644 --- a/src/MC/fix_widom.cpp +++ b/src/MC/fix_widom.cpp @@ -15,38 +15,36 @@ Contributing author: Evangelos Voyiatzis (Royal DSM) ------------------------------------------------------------------------- */ -#include - -#include #include "fix_widom.h" + +#include "angle.h" #include "atom.h" #include "atom_vec.h" #include "atom_vec_hybrid.h" -#include "molecule.h" -#include "update.h" -#include "modify.h" -#include "fix.h" +#include "bond.h" #include "comm.h" #include "compute.h" -#include "group.h" -#include "domain.h" -#include "region.h" -#include "random_park.h" -#include "force.h" -#include "pair.h" -#include "bond.h" -#include "angle.h" #include "dihedral.h" +#include "domain.h" +#include "error.h" +#include "fix.h" +#include "force.h" +#include "group.h" #include "improper.h" #include "kspace.h" -#include "math_extra.h" #include "math_const.h" +#include "math_extra.h" #include "memory.h" -#include "error.h" -#include "thermo.h" -#include "output.h" +#include "modify.h" +#include "molecule.h" #include "neighbor.h" -#include +#include "pair.h" +#include "random_park.h" +#include "region.h" +#include "update.h" + +#include +#include using namespace std; using namespace LAMMPS_NS; diff --git a/src/MC/pair_dsmc.cpp b/src/MC/pair_dsmc.cpp index c00f5dcbff..588d57f324 100644 --- a/src/MC/pair_dsmc.cpp +++ b/src/MC/pair_dsmc.cpp @@ -17,18 +17,16 @@ #include "pair_dsmc.h" -#include -#include #include "atom.h" #include "comm.h" +#include "domain.h" +#include "error.h" #include "force.h" #include "memory.h" -#include "error.h" -#include "domain.h" -#include "update.h" #include "random_mars.h" +#include "update.h" - +#include using namespace LAMMPS_NS; diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp index 32e836f31d..7ee6fce1b9 100644 --- a/src/MISC/fix_deposit.cpp +++ b/src/MISC/fix_deposit.cpp @@ -13,25 +13,24 @@ #include "fix_deposit.h" -#include -#include #include "atom.h" #include "atom_vec.h" -#include "molecule.h" -#include "force.h" -#include "update.h" -#include "modify.h" -#include "fix.h" #include "comm.h" #include "domain.h" -#include "lattice.h" -#include "region.h" -#include "random_park.h" -#include "math_extra.h" -#include "math_const.h" -#include "memory.h" #include "error.h" +#include "fix.h" +#include "lattice.h" +#include "math_const.h" +#include "math_extra.h" +#include "memory.h" +#include "modify.h" +#include "molecule.h" +#include "random_park.h" +#include "region.h" +#include "update.h" +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_oneway.cpp b/src/MISC/fix_oneway.cpp index d2bef7cb9b..1ca24a5906 100644 --- a/src/MISC/fix_oneway.cpp +++ b/src/MISC/fix_oneway.cpp @@ -16,13 +16,14 @@ ------------------------------------------------------------------------- */ #include "fix_oneway.h" -#include + #include "atom.h" #include "domain.h" #include "error.h" -#include "force.h" #include "region.h" +#include + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp index ab9a921d3e..cc22a509ba 100644 --- a/src/MISC/fix_orient_bcc.cpp +++ b/src/MISC/fix_orient_bcc.cpp @@ -19,25 +19,21 @@ ------------------------------------------------------------------------- */ #include "fix_orient_bcc.h" -#include -#include - - #include "atom.h" -#include "update.h" -#include "respa.h" -#include "neighbor.h" +#include "citeme.h" +#include "comm.h" +#include "error.h" +#include "math_const.h" +#include "memory.h" #include "neigh_list.h" #include "neigh_request.h" -#include "comm.h" -#include "force.h" -#include "math_const.h" -#include "citeme.h" -#include "memory.h" -#include "error.h" - +#include "neighbor.h" +#include "respa.h" +#include "update.h" +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_viscosity.cpp b/src/MISC/fix_viscosity.cpp index 9c021c5ca8..5dcd2d291d 100644 --- a/src/MISC/fix_viscosity.cpp +++ b/src/MISC/fix_viscosity.cpp @@ -18,13 +18,13 @@ #include "fix_viscosity.h" -#include -#include #include "atom.h" #include "domain.h" -#include "modify.h" #include "error.h" -#include "force.h" +#include "modify.h" + +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MLIAP/mliap_data.cpp b/src/MLIAP/mliap_data.cpp index 7bffd8ec3b..28f9a988d8 100644 --- a/src/MLIAP/mliap_data.cpp +++ b/src/MLIAP/mliap_data.cpp @@ -11,24 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include #include "mliap_data.h" -#include "mliap_model_linear.h" -#include "mliap_model_quadratic.h" -#include "mliap_descriptor_snap.h" -#include "compute_mliap.h" + #include "atom.h" -#include "update.h" -#include "modify.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "neigh_request.h" -#include "force.h" -#include "pair.h" -#include "comm.h" #include "memory.h" -#include "error.h" +#include "mliap_descriptor.h" +#include "mliap_model.h" +#include "neigh_list.h" + +#include using namespace LAMMPS_NS; diff --git a/src/MLIAP/mliap_descriptor.cpp b/src/MLIAP/mliap_descriptor.cpp index d654b33008..63d4241e01 100644 --- a/src/MLIAP/mliap_descriptor.cpp +++ b/src/MLIAP/mliap_descriptor.cpp @@ -12,14 +12,9 @@ ------------------------------------------------------------------------- */ #include "mliap_descriptor.h" -#include "atom.h" -#include "memory.h" -#include "error.h" using namespace LAMMPS_NS; -#define MAXLINE 1024 -#define MAXWORD 3 /* ---------------------------------------------------------------------- */ diff --git a/src/reader_native.cpp b/src/reader_native.cpp index 8931c569ff..19e53f3efe 100644 --- a/src/reader_native.cpp +++ b/src/reader_native.cpp @@ -20,7 +20,6 @@ #include #include -#include using namespace LAMMPS_NS;