diff --git a/src/ASPHERE/compute_erotate_asphere.cpp b/src/ASPHERE/compute_erotate_asphere.cpp index 3cf23b87eb..945b91fbbd 100644 --- a/src/ASPHERE/compute_erotate_asphere.cpp +++ b/src/ASPHERE/compute_erotate_asphere.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_erotate_asphere.h" -#include + #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/ASPHERE/compute_temp_asphere.cpp b/src/ASPHERE/compute_temp_asphere.cpp index 4350678bbd..889563f617 100644 --- a/src/ASPHERE/compute_temp_asphere.cpp +++ b/src/ASPHERE/compute_temp_asphere.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_asphere.h" -#include + #include #include "math_extra.h" #include "atom.h" diff --git a/src/ASPHERE/fix_nph_asphere.cpp b/src/ASPHERE/fix_nph_asphere.cpp index 0501ea1e8a..6d1727ce45 100644 --- a/src/ASPHERE/fix_nph_asphere.cpp +++ b/src/ASPHERE/fix_nph_asphere.cpp @@ -13,7 +13,7 @@ #include "fix_nph_asphere.h" #include -#include + #include "modify.h" #include "error.h" diff --git a/src/ASPHERE/fix_npt_asphere.cpp b/src/ASPHERE/fix_npt_asphere.cpp index f7f253f40b..064a20d55b 100644 --- a/src/ASPHERE/fix_npt_asphere.cpp +++ b/src/ASPHERE/fix_npt_asphere.cpp @@ -13,7 +13,7 @@ #include "fix_npt_asphere.h" #include -#include + #include "modify.h" #include "error.h" diff --git a/src/ASPHERE/fix_nvt_asphere.cpp b/src/ASPHERE/fix_nvt_asphere.cpp index e0275d4acf..d439d947bf 100644 --- a/src/ASPHERE/fix_nvt_asphere.cpp +++ b/src/ASPHERE/fix_nvt_asphere.cpp @@ -13,11 +13,11 @@ #include "fix_nvt_asphere.h" #include -#include + #include "group.h" #include "modify.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp index 064e365dc1..89350dd00f 100644 --- a/src/ASPHERE/pair_gayberne.cpp +++ b/src/ASPHERE/pair_gayberne.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_gayberne.h" -#include + #include #include "math_extra.h" #include "atom.h" @@ -28,7 +28,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/ASPHERE/pair_line_lj.cpp b/src/ASPHERE/pair_line_lj.cpp index a1c6477542..6397e77f5b 100644 --- a/src/ASPHERE/pair_line_lj.cpp +++ b/src/ASPHERE/pair_line_lj.cpp @@ -20,7 +20,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp index a25addaba4..81fb4d4b6c 100644 --- a/src/ASPHERE/pair_resquared.cpp +++ b/src/ASPHERE/pair_resquared.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_resquared.h" -#include + #include #include "math_extra.h" #include "atom.h" @@ -27,7 +27,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/ASPHERE/pair_tri_lj.cpp b/src/ASPHERE/pair_tri_lj.cpp index 0f840dadf3..cf89cf9d33 100644 --- a/src/ASPHERE/pair_tri_lj.cpp +++ b/src/ASPHERE/pair_tri_lj.cpp @@ -21,7 +21,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/BODY/compute_body_local.cpp b/src/BODY/compute_body_local.cpp index 915407db92..861ffbe4a7 100644 --- a/src/BODY/compute_body_local.cpp +++ b/src/BODY/compute_body_local.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_body_local.h" -#include + #include #include "atom.h" #include "atom_vec_body.h" diff --git a/src/BODY/compute_temp_body.cpp b/src/BODY/compute_temp_body.cpp index 4cf9ac5009..18c301678a 100644 --- a/src/BODY/compute_temp_body.cpp +++ b/src/BODY/compute_temp_body.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_body.h" -#include + #include #include "math_extra.h" #include "atom.h" diff --git a/src/BODY/fix_nph_body.cpp b/src/BODY/fix_nph_body.cpp index 1e8cc88e7c..f198919ad8 100644 --- a/src/BODY/fix_nph_body.cpp +++ b/src/BODY/fix_nph_body.cpp @@ -17,11 +17,11 @@ #include "fix_nph_body.h" #include -#include + #include "group.h" #include "modify.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/fix_npt_body.cpp b/src/BODY/fix_npt_body.cpp index 295777753f..23194bc8ca 100644 --- a/src/BODY/fix_npt_body.cpp +++ b/src/BODY/fix_npt_body.cpp @@ -17,11 +17,11 @@ #include "fix_npt_body.h" #include -#include + #include "group.h" #include "modify.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/fix_nvt_body.cpp b/src/BODY/fix_nvt_body.cpp index 458ff1ab14..3cab4416b0 100644 --- a/src/BODY/fix_nvt_body.cpp +++ b/src/BODY/fix_nvt_body.cpp @@ -17,11 +17,11 @@ #include "fix_nvt_body.h" #include -#include + #include "group.h" #include "modify.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/pair_body_nparticle.cpp b/src/BODY/pair_body_nparticle.cpp index b3333d4715..ece23d9522 100644 --- a/src/BODY/pair_body_nparticle.cpp +++ b/src/BODY/pair_body_nparticle.cpp @@ -23,7 +23,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/BODY/pair_body_rounded_polygon.cpp b/src/BODY/pair_body_rounded_polygon.cpp index 9687c28613..fa5a8e57da 100644 --- a/src/BODY/pair_body_rounded_polygon.cpp +++ b/src/BODY/pair_body_rounded_polygon.cpp @@ -19,7 +19,7 @@ ------------------------------------------------------------------------- */ #include "pair_body_rounded_polygon.h" -#include + #include #include #include "math_extra.h" @@ -34,7 +34,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/BODY/pair_body_rounded_polyhedron.cpp b/src/BODY/pair_body_rounded_polyhedron.cpp index dfefc318af..d376ac759e 100644 --- a/src/BODY/pair_body_rounded_polyhedron.cpp +++ b/src/BODY/pair_body_rounded_polyhedron.cpp @@ -21,7 +21,7 @@ ------------------------------------------------------------------------- */ #include "pair_body_rounded_polyhedron.h" -#include + #include #include #include "atom.h" @@ -37,7 +37,7 @@ #include "error.h" #include "math_extra.h" #include "math_const.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/CLASS2/angle_class2.cpp b/src/CLASS2/angle_class2.cpp index 431479b489..eea43480e1 100644 --- a/src/CLASS2/angle_class2.cpp +++ b/src/CLASS2/angle_class2.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_class2.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/CLASS2/bond_class2.cpp b/src/CLASS2/bond_class2.cpp index 2cd63eafcb..a97b06a3c7 100644 --- a/src/CLASS2/bond_class2.cpp +++ b/src/CLASS2/bond_class2.cpp @@ -17,7 +17,7 @@ #include #include "bond_class2.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -25,7 +25,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/CLASS2/dihedral_class2.cpp b/src/CLASS2/dihedral_class2.cpp index 44d4902e4a..5be522f2c9 100644 --- a/src/CLASS2/dihedral_class2.cpp +++ b/src/CLASS2/dihedral_class2.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_class2.h" -#include + #include #include #include "atom.h" @@ -27,8 +27,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/CLASS2/improper_class2.cpp b/src/CLASS2/improper_class2.cpp index 662459abb7..0b07a7d60c 100644 --- a/src/CLASS2/improper_class2.cpp +++ b/src/CLASS2/improper_class2.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "improper_class2.h" -#include + #include #include #include "atom.h" @@ -27,8 +27,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp index 96b035f83b..bb1dfe0ab3 100644 --- a/src/CLASS2/pair_lj_class2.cpp +++ b/src/CLASS2/pair_lj_class2.cpp @@ -10,7 +10,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2.h" -#include + #include #include #include "atom.h" @@ -24,7 +24,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp index 9aca9f048a..8375043ed8 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.cpp +++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2_coul_cut.h" -#include + #include #include #include "atom.h" @@ -23,7 +23,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp index 5c7c107d02..3b9ef8deaf 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.cpp +++ b/src/CLASS2/pair_lj_class2_coul_long.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2_coul_long.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/COLLOID/fix_wall_colloid.cpp b/src/COLLOID/fix_wall_colloid.cpp index 58593a99b1..61b52a6585 100644 --- a/src/COLLOID/fix_wall_colloid.cpp +++ b/src/COLLOID/fix_wall_colloid.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_wall_colloid.h" -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/COLLOID/pair_brownian.cpp b/src/COLLOID/pair_brownian.cpp index d7b2dba14a..786be66c70 100644 --- a/src/COLLOID/pair_brownian.cpp +++ b/src/COLLOID/pair_brownian.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_brownian.h" -#include + #include #include #include "atom.h" @@ -36,7 +36,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/COLLOID/pair_brownian_poly.cpp b/src/COLLOID/pair_brownian_poly.cpp index c3eb4f28a5..9c2593ffb1 100644 --- a/src/COLLOID/pair_brownian_poly.cpp +++ b/src/COLLOID/pair_brownian_poly.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_brownian_poly.h" -#include + #include #include #include "atom.h" diff --git a/src/COLLOID/pair_colloid.cpp b/src/COLLOID/pair_colloid.cpp index 7552d123c3..f95645c613 100644 --- a/src/COLLOID/pair_colloid.cpp +++ b/src/COLLOID/pair_colloid.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_colloid.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp index 4f2a4455a3..867bb91979 100644 --- a/src/COLLOID/pair_lubricate.cpp +++ b/src/COLLOID/pair_lubricate.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lubricate.h" -#include + #include #include #include "atom.h" @@ -35,7 +35,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/COLLOID/pair_lubricateU.cpp b/src/COLLOID/pair_lubricateU.cpp index 4fb1611660..2df1ecaaa6 100644 --- a/src/COLLOID/pair_lubricateU.cpp +++ b/src/COLLOID/pair_lubricateU.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lubricateU.h" -#include + #include #include #include "atom.h" @@ -34,7 +34,7 @@ #include "variable.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/COLLOID/pair_lubricateU_poly.cpp b/src/COLLOID/pair_lubricateU_poly.cpp index 7fd847671e..8483bb0f51 100644 --- a/src/COLLOID/pair_lubricateU_poly.cpp +++ b/src/COLLOID/pair_lubricateU_poly.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_lubricateU_poly.h" -#include + #include #include #include "atom.h" diff --git a/src/COLLOID/pair_lubricate_poly.cpp b/src/COLLOID/pair_lubricate_poly.cpp index e347441cf4..351757e09b 100644 --- a/src/COLLOID/pair_lubricate_poly.cpp +++ b/src/COLLOID/pair_lubricate_poly.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_lubricate_poly.h" -#include + #include #include #include "atom.h" diff --git a/src/COMPRESS/dump_atom_gz.cpp b/src/COMPRESS/dump_atom_gz.cpp index 6c78ba7910..484175762e 100644 --- a/src/COMPRESS/dump_atom_gz.cpp +++ b/src/COMPRESS/dump_atom_gz.cpp @@ -15,10 +15,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_atom_zstd.cpp b/src/COMPRESS/dump_atom_zstd.cpp index a8da9a1a2c..a993f58809 100644 --- a/src/COMPRESS/dump_atom_zstd.cpp +++ b/src/COMPRESS/dump_atom_zstd.cpp @@ -21,10 +21,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_cfg_gz.cpp b/src/COMPRESS/dump_cfg_gz.cpp index 2d48e02f3c..18f0fa56d7 100644 --- a/src/COMPRESS/dump_cfg_gz.cpp +++ b/src/COMPRESS/dump_cfg_gz.cpp @@ -16,10 +16,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; #define UNWRAPEXPAND 10.0 diff --git a/src/COMPRESS/dump_cfg_zstd.cpp b/src/COMPRESS/dump_cfg_zstd.cpp index 0f74e2550b..51819772f6 100644 --- a/src/COMPRESS/dump_cfg_zstd.cpp +++ b/src/COMPRESS/dump_cfg_zstd.cpp @@ -21,10 +21,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; #define UNWRAPEXPAND 10.0 diff --git a/src/COMPRESS/dump_custom_gz.cpp b/src/COMPRESS/dump_custom_gz.cpp index 35a2d25a2a..fb2b121f7f 100644 --- a/src/COMPRESS/dump_custom_gz.cpp +++ b/src/COMPRESS/dump_custom_gz.cpp @@ -15,10 +15,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_custom_zstd.cpp b/src/COMPRESS/dump_custom_zstd.cpp index 395ba51fdc..d0f5335813 100644 --- a/src/COMPRESS/dump_custom_zstd.cpp +++ b/src/COMPRESS/dump_custom_zstd.cpp @@ -21,10 +21,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_local_gz.cpp b/src/COMPRESS/dump_local_gz.cpp index a346de3127..49a3c3bef2 100644 --- a/src/COMPRESS/dump_local_gz.cpp +++ b/src/COMPRESS/dump_local_gz.cpp @@ -15,10 +15,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_local_zstd.cpp b/src/COMPRESS/dump_local_zstd.cpp index 3e658fd070..9393654dd6 100644 --- a/src/COMPRESS/dump_local_zstd.cpp +++ b/src/COMPRESS/dump_local_zstd.cpp @@ -21,10 +21,10 @@ #include "domain.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_xyz_gz.cpp b/src/COMPRESS/dump_xyz_gz.cpp index 79d2d20997..cc07b1ce61 100644 --- a/src/COMPRESS/dump_xyz_gz.cpp +++ b/src/COMPRESS/dump_xyz_gz.cpp @@ -14,10 +14,10 @@ #include "dump_xyz_gz.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/COMPRESS/dump_xyz_zstd.cpp b/src/COMPRESS/dump_xyz_zstd.cpp index 066609eebb..839e743654 100644 --- a/src/COMPRESS/dump_xyz_zstd.cpp +++ b/src/COMPRESS/dump_xyz_zstd.cpp @@ -20,10 +20,10 @@ #include "dump_xyz_zstd.h" #include "error.h" #include "update.h" -#include "utils.h" + #include -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/CORESHELL/compute_temp_cs.cpp b/src/CORESHELL/compute_temp_cs.cpp index d8f952551d..1b7eb1e43f 100644 --- a/src/CORESHELL/compute_temp_cs.cpp +++ b/src/CORESHELL/compute_temp_cs.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "compute_temp_cs.h" -#include + #include -#include + #include "atom.h" #include "atom_vec.h" #include "domain.h" @@ -31,7 +31,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp index b6895be301..66de360f6e 100644 --- a/src/DIPOLE/atom_vec_dipole.cpp +++ b/src/DIPOLE/atom_vec_dipole.cpp @@ -20,7 +20,7 @@ #include "fix.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp index 8f91420043..25fed599db 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_dipole_cut.h" -#include + #include #include #include "atom.h" @@ -23,7 +23,7 @@ #include "memory.h" #include "error.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp index 73aa628296..67d2e0aa3c 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_dipole_long.h" -#include + #include #include #include "atom.h" @@ -25,7 +25,7 @@ #include "memory.h" #include "error.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index f7c8251e79..86e143626d 100644 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_long_dipole_long.h" -#include + #include #include #include "math_const.h" @@ -30,7 +30,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp index 0552d23cdb..15bc42c37e 100644 --- a/src/GPU/fix_gpu.cpp +++ b/src/GPU/fix_gpu.cpp @@ -13,7 +13,7 @@ #include "fix_gpu.h" #include -#include + #include "atom.h" #include "force.h" #include "pair.h" @@ -30,7 +30,7 @@ #include "neighbor.h" #include "citeme.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/GPU/pair_beck_gpu.cpp b/src/GPU/pair_beck_gpu.cpp index 28386f5fd5..86467f49c0 100644 --- a/src/GPU/pair_beck_gpu.cpp +++ b/src/GPU/pair_beck_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_beck_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_born_coul_long_cs_gpu.cpp b/src/GPU/pair_born_coul_long_cs_gpu.cpp index 8bc99a3d49..c27c670f2a 100644 --- a/src/GPU/pair_born_coul_long_cs_gpu.cpp +++ b/src/GPU/pair_born_coul_long_cs_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_born_coul_long_cs_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp index 5dd4c3421f..a2524909e5 100644 --- a/src/GPU/pair_born_coul_long_gpu.cpp +++ b/src/GPU/pair_born_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_born_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp index 4ba28c25aa..cf54b72cf5 100644 --- a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_born_coul_wolf_cs_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp index b5e0edea6d..e9aa951236 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_born_coul_wolf_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp index a5e94389b6..5a5a6d2a36 100644 --- a/src/GPU/pair_born_gpu.cpp +++ b/src/GPU/pair_born_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_born_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp index 1a5479ea1d..de9f0d1eba 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.cpp +++ b/src/GPU/pair_buck_coul_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_buck_coul_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp index 221e178b57..41823fc27e 100644 --- a/src/GPU/pair_buck_coul_long_gpu.cpp +++ b/src/GPU/pair_buck_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_buck_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp index 07107750e6..1f7abc06bc 100644 --- a/src/GPU/pair_buck_gpu.cpp +++ b/src/GPU/pair_buck_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_buck_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp index a7cafbe75a..39737ab183 100644 --- a/src/GPU/pair_colloid_gpu.cpp +++ b/src/GPU/pair_colloid_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_colloid_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp index bacbdbb1a0..34a76c1dff 100644 --- a/src/GPU/pair_coul_cut_gpu.cpp +++ b/src/GPU/pair_coul_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_coul_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp index 96be67a1fa..40fb359484 100644 --- a/src/GPU/pair_coul_debye_gpu.cpp +++ b/src/GPU/pair_coul_debye_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_coul_debye_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp index 244941c117..8c05d14aef 100644 --- a/src/GPU/pair_coul_dsf_gpu.cpp +++ b/src/GPU/pair_coul_dsf_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_coul_dsf_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_coul_long_cs_gpu.cpp b/src/GPU/pair_coul_long_cs_gpu.cpp index bcbf7216e2..da59873dd2 100644 --- a/src/GPU/pair_coul_long_cs_gpu.cpp +++ b/src/GPU/pair_coul_long_cs_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_coul_long_cs_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp index fcfb20f3ce..185d3a7f94 100644 --- a/src/GPU/pair_coul_long_gpu.cpp +++ b/src/GPU/pair_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp index a2e20d016c..d41be6d8c2 100644 --- a/src/GPU/pair_dpd_gpu.cpp +++ b/src/GPU/pair_dpd_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_dpd_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp index 991c6d900f..33d7178faa 100644 --- a/src/GPU/pair_dpd_tstat_gpu.cpp +++ b/src/GPU/pair_dpd_tstat_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_dpd_tstat_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index 08ffaef978..4939537770 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -17,7 +17,7 @@ #include "pair_eam_alloy_gpu.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -29,7 +29,7 @@ #include "neigh_request.h" #include "gpu_extra.h" #include "domain.h" -#include "utils.h" + #include "suffix.h" #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index a82107749b..eb028bc778 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -17,7 +17,7 @@ #include "pair_eam_fs_gpu.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -30,7 +30,7 @@ #include "gpu_extra.h" #include "domain.h" #include "suffix.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index 1aac379c35..3965f27c67 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_eam_gpu.h" #include #include -#include + #include #include "atom.h" #include "force.h" diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp index eb83d5af44..51d4851dc5 100644 --- a/src/GPU/pair_gauss_gpu.cpp +++ b/src/GPU/pair_gauss_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_gauss_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp index 83b24f8774..451799027b 100644 --- a/src/GPU/pair_gayberne_gpu.cpp +++ b/src/GPU/pair_gayberne_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_gayberne_gpu.h" #include #include -#include + #include #include "math_extra.h" #include "atom.h" diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp index 7b0d45a437..215998bc88 100644 --- a/src/GPU/pair_lj96_cut_gpu.cpp +++ b/src/GPU/pair_lj96_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj96_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp index b08ad5e232..09ed178200 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_charmm_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp index 46ecaea9b8..f6d671d95a 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_class2_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp index a7ca661927..fbd6aea08c 100644 --- a/src/GPU/pair_lj_class2_gpu.cpp +++ b/src/GPU/pair_lj_class2_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_class2_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cubic_gpu.cpp b/src/GPU/pair_lj_cubic_gpu.cpp index 38f6e1f908..28e74d8f39 100644 --- a/src/GPU/pair_lj_cubic_gpu.cpp +++ b/src/GPU/pair_lj_cubic_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cubic_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp index 54f0e92bd5..48770d2713 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_coul_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp index e7b1ac5002..45c3cc82a0 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_coul_debye_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp index 5d1f4f70be..784c0e379d 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_coul_dsf_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp index dff2ba28d4..2a9d431a42 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp index 2f965d6476..f5987c0ddf 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_coul_msm_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp index 43c2a1e9b7..ac053037d8 100644 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_dipole_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp index 9416ede516..7de9ae2aa6 100644 --- a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_dipole_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp index 27924361f2..5656c2e18d 100644 --- a/src/GPU/pair_lj_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp index 7c1bb74158..2bd7420e72 100644 --- a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_lj_cut_tip4p_long_gpu.h" #include "atom.h" diff --git a/src/GPU/pair_lj_expand_coul_long_gpu.cpp b/src/GPU/pair_lj_expand_coul_long_gpu.cpp index 54eb4d47e6..f13eea51e7 100644 --- a/src/GPU/pair_lj_expand_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_expand_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_expand_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp index 32c35420a2..bdfa30b965 100644 --- a/src/GPU/pair_lj_expand_gpu.cpp +++ b/src/GPU/pair_lj_expand_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_expand_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp index d7122cb5f3..6d6abdb40d 100644 --- a/src/GPU/pair_lj_gromacs_gpu.cpp +++ b/src/GPU/pair_lj_gromacs_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_gromacs_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp index cd76bbd2e9..4054f08523 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_sdk_coul_long_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp index 5f07bdbb6c..2016d1db2c 100644 --- a/src/GPU/pair_lj_sdk_gpu.cpp +++ b/src/GPU/pair_lj_sdk_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_sdk_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp index a9ddf81bf0..e6834298f3 100644 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_lj_sf_dipole_sf_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp index 4db07ab79e..60e6e935e8 100644 --- a/src/GPU/pair_mie_cut_gpu.cpp +++ b/src/GPU/pair_mie_cut_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_mie_cut_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp index fc966f6533..a256f500ce 100644 --- a/src/GPU/pair_morse_gpu.cpp +++ b/src/GPU/pair_morse_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_morse_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp index 0bcabb451c..ca70e3c337 100644 --- a/src/GPU/pair_resquared_gpu.cpp +++ b/src/GPU/pair_resquared_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_resquared_gpu.h" #include #include -#include + #include #include "math_extra.h" #include "atom.h" diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp index 48a4f689ff..49c27f515d 100644 --- a/src/GPU/pair_soft_gpu.cpp +++ b/src/GPU/pair_soft_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_soft_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp index 4c4502828d..d544534c9d 100644 --- a/src/GPU/pair_sw_gpu.cpp +++ b/src/GPU/pair_sw_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_sw_gpu.h" #include #include -#include + #include #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp index 858a2107dc..4ac674aa94 100644 --- a/src/GPU/pair_table_gpu.cpp +++ b/src/GPU/pair_table_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_table_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_tersoff_gpu.cpp b/src/GPU/pair_tersoff_gpu.cpp index d7b1ef5dd5..885dd73d9e 100644 --- a/src/GPU/pair_tersoff_gpu.cpp +++ b/src/GPU/pair_tersoff_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_tersoff_gpu.h" #include #include -#include + #include #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_tersoff_mod_gpu.cpp b/src/GPU/pair_tersoff_mod_gpu.cpp index 1b35045902..35edd9ea22 100644 --- a/src/GPU/pair_tersoff_mod_gpu.cpp +++ b/src/GPU/pair_tersoff_mod_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_tersoff_mod_gpu.h" #include #include -#include + #include #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_tersoff_zbl_gpu.cpp b/src/GPU/pair_tersoff_zbl_gpu.cpp index ae50552f14..73251ee726 100644 --- a/src/GPU/pair_tersoff_zbl_gpu.cpp +++ b/src/GPU/pair_tersoff_zbl_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_tersoff_zbl_gpu.h" #include #include -#include + #include #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_ufm_gpu.cpp b/src/GPU/pair_ufm_gpu.cpp index 2b4cc2269f..fe6adfef12 100644 --- a/src/GPU/pair_ufm_gpu.cpp +++ b/src/GPU/pair_ufm_gpu.cpp @@ -20,7 +20,7 @@ #include "pair_ufm_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_vashishta_gpu.cpp b/src/GPU/pair_vashishta_gpu.cpp index ccd2773130..868b8de0c0 100644 --- a/src/GPU/pair_vashishta_gpu.cpp +++ b/src/GPU/pair_vashishta_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_vashishta_gpu.h" #include #include -#include + #include #include "atom.h" #include "neighbor.h" diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp index c3439e3306..3c7b2f5ba7 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.cpp +++ b/src/GPU/pair_yukawa_colloid_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_yukawa_colloid_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp index b9b9d6e0a4..8147609f45 100644 --- a/src/GPU/pair_yukawa_gpu.cpp +++ b/src/GPU/pair_yukawa_gpu.cpp @@ -18,7 +18,7 @@ #include "pair_yukawa_gpu.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GPU/pair_zbl_gpu.cpp b/src/GPU/pair_zbl_gpu.cpp index d0cbfa1d7c..0472d9b7c1 100644 --- a/src/GPU/pair_zbl_gpu.cpp +++ b/src/GPU/pair_zbl_gpu.cpp @@ -19,7 +19,7 @@ #include "lmptype.h" #include #include -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/GRANULAR/fix_freeze.cpp b/src/GRANULAR/fix_freeze.cpp index 1df5c9d0a8..dd68aa032f 100644 --- a/src/GRANULAR/fix_freeze.cpp +++ b/src/GRANULAR/fix_freeze.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_freeze.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/GRANULAR/fix_pour.cpp b/src/GRANULAR/fix_pour.cpp index 879f48e023..d449bb5614 100644 --- a/src/GRANULAR/fix_pour.cpp +++ b/src/GRANULAR/fix_pour.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_pour.h" -#include + #include #include #include "atom.h" @@ -32,7 +32,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index a8cd808411..68a7803f4b 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include "pair_gran_hooke_history.h" -#include + #include #include -#include + #include "atom.h" #include "force.h" #include "update.h" @@ -33,7 +33,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/GRANULAR/pair_granular.cpp b/src/GRANULAR/pair_granular.cpp index 88a9fe36f0..ee0eb2ad77 100644 --- a/src/GRANULAR/pair_granular.cpp +++ b/src/GRANULAR/pair_granular.cpp @@ -18,10 +18,10 @@ ----------------------------------------------------------------------- */ #include "pair_granular.h" -#include + #include #include -#include + #include "atom.h" #include "force.h" #include "update.h" @@ -37,7 +37,7 @@ #include "error.h" #include "math_const.h" #include "math_special.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 69586b55d6..3422f93f3a 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -56,8 +56,8 @@ ------------------------------------------------------------------------- */ #include "pair_kim.h" #include -#include -#include + + #include #include "atom.h" #include "comm.h" @@ -68,7 +68,7 @@ #include "update.h" #include "memory.h" #include "domain.h" -#include "utils.h" + #include "error.h" using namespace LAMMPS_NS; diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index 1f2c8c8599..0361f2351e 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -65,7 +65,7 @@ PairStyle(kim,PairKIM) // includes from KIM & LAMMPS class KIM_API_model; #include "pair.h" -#include + extern "C" { #include "KIM_SimulatorHeaders.h" diff --git a/src/KOKKOS/angle_charmm_kokkos.cpp b/src/KOKKOS/angle_charmm_kokkos.cpp index 288e5a475b..14850525ef 100644 --- a/src/KOKKOS/angle_charmm_kokkos.cpp +++ b/src/KOKKOS/angle_charmm_kokkos.cpp @@ -17,7 +17,7 @@ #include "angle_charmm_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/angle_class2_kokkos.cpp b/src/KOKKOS/angle_class2_kokkos.cpp index ebb016b31b..4406f51f83 100644 --- a/src/KOKKOS/angle_class2_kokkos.cpp +++ b/src/KOKKOS/angle_class2_kokkos.cpp @@ -17,7 +17,7 @@ #include "angle_class2_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/angle_cosine_kokkos.cpp b/src/KOKKOS/angle_cosine_kokkos.cpp index 960988b3b5..7ba634cd13 100644 --- a/src/KOKKOS/angle_cosine_kokkos.cpp +++ b/src/KOKKOS/angle_cosine_kokkos.cpp @@ -17,7 +17,7 @@ #include "angle_cosine_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/angle_harmonic_kokkos.cpp b/src/KOKKOS/angle_harmonic_kokkos.cpp index bc08ff4b65..2e5831ef07 100644 --- a/src/KOKKOS/angle_harmonic_kokkos.cpp +++ b/src/KOKKOS/angle_harmonic_kokkos.cpp @@ -17,7 +17,7 @@ #include "angle_harmonic_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/atom_vec_angle_kokkos.cpp b/src/KOKKOS/atom_vec_angle_kokkos.cpp index e9fee6d8f6..e9c101eb79 100644 --- a/src/KOKKOS/atom_vec_angle_kokkos.cpp +++ b/src/KOKKOS/atom_vec_angle_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.cpp b/src/KOKKOS/atom_vec_atomic_kokkos.cpp index 7a66dc753a..c76af73420 100644 --- a/src/KOKKOS/atom_vec_atomic_kokkos.cpp +++ b/src/KOKKOS/atom_vec_atomic_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_bond_kokkos.cpp b/src/KOKKOS/atom_vec_bond_kokkos.cpp index 157f194125..47e77c33b3 100644 --- a/src/KOKKOS/atom_vec_bond_kokkos.cpp +++ b/src/KOKKOS/atom_vec_bond_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_charge_kokkos.cpp b/src/KOKKOS/atom_vec_charge_kokkos.cpp index 8f468b8e46..183bdb94e4 100644 --- a/src/KOKKOS/atom_vec_charge_kokkos.cpp +++ b/src/KOKKOS/atom_vec_charge_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.cpp b/src/KOKKOS/atom_vec_dpd_kokkos.cpp index 5319744c22..b112605859 100644 --- a/src/KOKKOS/atom_vec_dpd_kokkos.cpp +++ b/src/KOKKOS/atom_vec_dpd_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_full_kokkos.cpp b/src/KOKKOS/atom_vec_full_kokkos.cpp index 5d5833af07..89275c7067 100644 --- a/src/KOKKOS/atom_vec_full_kokkos.cpp +++ b/src/KOKKOS/atom_vec_full_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp index 0cc609f91c..34a246008d 100644 --- a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp +++ b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp @@ -20,7 +20,7 @@ #include "memory_kokkos.h" #include "error.h" #include "atom_masks.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_kokkos.cpp b/src/KOKKOS/atom_vec_kokkos.cpp index b0fca4e316..dceedc8e60 100644 --- a/src/KOKKOS/atom_vec_kokkos.cpp +++ b/src/KOKKOS/atom_vec_kokkos.cpp @@ -16,7 +16,7 @@ #include "comm_kokkos.h" #include "domain.h" #include "atom_masks.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_molecular_kokkos.cpp b/src/KOKKOS/atom_vec_molecular_kokkos.cpp index 7832d6f9b0..6a4d94dc14 100644 --- a/src/KOKKOS/atom_vec_molecular_kokkos.cpp +++ b/src/KOKKOS/atom_vec_molecular_kokkos.cpp @@ -20,7 +20,7 @@ #include "atom_masks.h" #include "memory_kokkos.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/atom_vec_sphere_kokkos.cpp b/src/KOKKOS/atom_vec_sphere_kokkos.cpp index b1099d0fa6..569498f664 100644 --- a/src/KOKKOS/atom_vec_sphere_kokkos.cpp +++ b/src/KOKKOS/atom_vec_sphere_kokkos.cpp @@ -25,7 +25,7 @@ #include "memory.h" #include "error.h" #include "memory_kokkos.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/bond_class2_kokkos.cpp b/src/KOKKOS/bond_class2_kokkos.cpp index 88504608f6..5481a41806 100644 --- a/src/KOKKOS/bond_class2_kokkos.cpp +++ b/src/KOKKOS/bond_class2_kokkos.cpp @@ -17,7 +17,7 @@ #include "bond_class2_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/bond_fene_kokkos.cpp b/src/KOKKOS/bond_fene_kokkos.cpp index e6aa27649f..9d2200dd90 100644 --- a/src/KOKKOS/bond_fene_kokkos.cpp +++ b/src/KOKKOS/bond_fene_kokkos.cpp @@ -17,7 +17,7 @@ #include "bond_fene_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/bond_harmonic_kokkos.cpp b/src/KOKKOS/bond_harmonic_kokkos.cpp index ee1b58c91f..9239a4191b 100644 --- a/src/KOKKOS/bond_harmonic_kokkos.cpp +++ b/src/KOKKOS/bond_harmonic_kokkos.cpp @@ -17,7 +17,7 @@ #include "bond_harmonic_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "neighbor_kokkos.h" #include "domain.h" diff --git a/src/KOKKOS/compute_orientorder_atom_kokkos.cpp b/src/KOKKOS/compute_orientorder_atom_kokkos.cpp index b17434d09a..7d635dbeb7 100644 --- a/src/KOKKOS/compute_orientorder_atom_kokkos.cpp +++ b/src/KOKKOS/compute_orientorder_atom_kokkos.cpp @@ -17,7 +17,7 @@ #include "compute_orientorder_atom_kokkos.h" #include -#include + #include #include "atom_kokkos.h" #include "update.h" diff --git a/src/KOKKOS/compute_temp_kokkos.cpp b/src/KOKKOS/compute_temp_kokkos.cpp index 0e7fe25540..7e4d3ad6ae 100644 --- a/src/KOKKOS/compute_temp_kokkos.cpp +++ b/src/KOKKOS/compute_temp_kokkos.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_kokkos.h" -#include + #include #include "atom_kokkos.h" #include "update.h" diff --git a/src/KOKKOS/dihedral_charmm_kokkos.cpp b/src/KOKKOS/dihedral_charmm_kokkos.cpp index 0d8256f306..c25ab18c60 100644 --- a/src/KOKKOS/dihedral_charmm_kokkos.cpp +++ b/src/KOKKOS/dihedral_charmm_kokkos.cpp @@ -17,7 +17,7 @@ #include "dihedral_charmm_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "comm.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/dihedral_class2_kokkos.cpp b/src/KOKKOS/dihedral_class2_kokkos.cpp index 371af44e9a..df60ebd1e4 100644 --- a/src/KOKKOS/dihedral_class2_kokkos.cpp +++ b/src/KOKKOS/dihedral_class2_kokkos.cpp @@ -17,7 +17,7 @@ #include "dihedral_class2_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "comm.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/dihedral_harmonic_kokkos.cpp b/src/KOKKOS/dihedral_harmonic_kokkos.cpp index 408fa276e4..0acd61222e 100644 --- a/src/KOKKOS/dihedral_harmonic_kokkos.cpp +++ b/src/KOKKOS/dihedral_harmonic_kokkos.cpp @@ -17,7 +17,7 @@ #include "dihedral_harmonic_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "comm.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/dihedral_opls_kokkos.cpp b/src/KOKKOS/dihedral_opls_kokkos.cpp index 309d617f0a..70beae918a 100644 --- a/src/KOKKOS/dihedral_opls_kokkos.cpp +++ b/src/KOKKOS/dihedral_opls_kokkos.cpp @@ -17,7 +17,7 @@ #include "dihedral_opls_kokkos.h" #include -#include + #include "atom_kokkos.h" #include "comm.h" #include "neighbor_kokkos.h" diff --git a/src/KOKKOS/fix_deform_kokkos.cpp b/src/KOKKOS/fix_deform_kokkos.cpp index 05eb1c22f6..5d8430d337 100644 --- a/src/KOKKOS/fix_deform_kokkos.cpp +++ b/src/KOKKOS/fix_deform_kokkos.cpp @@ -17,7 +17,7 @@ #include "fix_deform_kokkos.h" #include -#include + #include #include "atom_kokkos.h" #include "update.h" diff --git a/src/KOKKOS/fix_momentum_kokkos.cpp b/src/KOKKOS/fix_momentum_kokkos.cpp index 9c9d6cb1cd..1821b6dadd 100644 --- a/src/KOKKOS/fix_momentum_kokkos.cpp +++ b/src/KOKKOS/fix_momentum_kokkos.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_momentum_kokkos.h" -#include + #include #include "atom_kokkos.h" #include "atom_masks.h" diff --git a/src/KOKKOS/fix_nh_kokkos.cpp b/src/KOKKOS/fix_nh_kokkos.cpp index 96e9663712..8cd58b0927 100644 --- a/src/KOKKOS/fix_nh_kokkos.cpp +++ b/src/KOKKOS/fix_nh_kokkos.cpp @@ -17,7 +17,7 @@ #include "fix_nh_kokkos.h" #include -#include + #include #include "math_extra.h" #include "atom.h" diff --git a/src/KOKKOS/fix_property_atom_kokkos.cpp b/src/KOKKOS/fix_property_atom_kokkos.cpp index ff374b885f..d6afae3ec2 100644 --- a/src/KOKKOS/fix_property_atom_kokkos.cpp +++ b/src/KOKKOS/fix_property_atom_kokkos.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_property_atom_kokkos.h" -#include + #include #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp index 38968bdd35..18bc4225a7 100644 --- a/src/KOKKOS/fix_rx_kokkos.cpp +++ b/src/KOKKOS/fix_rx_kokkos.cpp @@ -27,7 +27,7 @@ #include "comm.h" #include "domain.h" #include "kokkos.h" -#include "utils.h" + #include // DBL_EPSILON diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp index 75964f4829..9be4321ff2 100644 --- a/src/KOKKOS/fix_shardlow_kokkos.cpp +++ b/src/KOKKOS/fix_shardlow_kokkos.cpp @@ -35,7 +35,7 @@ #include "fix_shardlow_kokkos.h" #include -#include + #include "atom.h" #include "atom_masks.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/fix_wall_reflect_kokkos.cpp b/src/KOKKOS/fix_wall_reflect_kokkos.cpp index a5bd6e6e6c..c581edb123 100644 --- a/src/KOKKOS/fix_wall_reflect_kokkos.cpp +++ b/src/KOKKOS/fix_wall_reflect_kokkos.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_wall_reflect_kokkos.h" -#include + #include #include "atom_kokkos.h" #include "comm.h" diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 28cf65c8d8..280e47b771 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -29,7 +29,7 @@ #include "memory_kokkos.h" #include "error.h" #include "atom_masks.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index da49414892..a4828c00aa 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -29,7 +29,7 @@ #include "memory_kokkos.h" #include "error.h" #include "atom_masks.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.cpp b/src/KOKKOS/pair_exp6_rx_kokkos.cpp index 2e2c3ef04e..035bf87cec 100644 --- a/src/KOKKOS/pair_exp6_rx_kokkos.cpp +++ b/src/KOKKOS/pair_exp6_rx_kokkos.cpp @@ -17,7 +17,7 @@ #include "pair_exp6_rx_kokkos.h" #include -#include + #include #include "atom.h" #include "comm.h" @@ -32,7 +32,7 @@ #include "neigh_request.h" #include "atom_kokkos.h" #include "kokkos.h" -#include "utils.h" + #ifdef _OPENMP #include diff --git a/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp b/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp index 1f2ad404bb..9c75f3abe8 100644 --- a/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp +++ b/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp @@ -17,7 +17,7 @@ #include "atom.h" #include "force.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KOKKOS/pair_reaxc_kokkos.cpp b/src/KOKKOS/pair_reaxc_kokkos.cpp index d0fe11285a..bf8518e3c3 100644 --- a/src/KOKKOS/pair_reaxc_kokkos.cpp +++ b/src/KOKKOS/pair_reaxc_kokkos.cpp @@ -17,7 +17,7 @@ #include "pair_reaxc_kokkos.h" #include -#include + #include #include "kokkos.h" #include "atom_kokkos.h" diff --git a/src/KOKKOS/pair_table_rx_kokkos.cpp b/src/KOKKOS/pair_table_rx_kokkos.cpp index 26aa4373cc..09e38e6387 100644 --- a/src/KOKKOS/pair_table_rx_kokkos.cpp +++ b/src/KOKKOS/pair_table_rx_kokkos.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_table_rx_kokkos.h" -#include + #include #include #include "kokkos.h" @@ -33,7 +33,7 @@ #include "kokkos_few.h" #include "kokkos.h" #include "modify.h" -#include "utils.h" + #include using namespace LAMMPS_NS; diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp index 45c8a35971..3288f15ff7 100644 --- a/src/KSPACE/fix_tune_kspace.cpp +++ b/src/KSPACE/fix_tune_kspace.cpp @@ -19,7 +19,7 @@ #include #include #include -#include + #include "comm.h" #include "update.h" #include "force.h" @@ -32,8 +32,8 @@ #include "neighbor.h" #include "modify.h" #include "compute.h" -#include "utils.h" -#include "fmt/format.h" + + #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/fix_tune_kspace.h b/src/KSPACE/fix_tune_kspace.h index 339f79626f..3e4db40344 100644 --- a/src/KSPACE/fix_tune_kspace.h +++ b/src/KSPACE/fix_tune_kspace.h @@ -21,7 +21,7 @@ FixStyle(tune/kspace,FixTuneKspace) #define LMP_FIX_TUNE_KSPACE_H #include "fix.h" -#include + namespace LAMMPS_NS { diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index 4742e4c48c..a05a6a282b 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp index f589dfaa90..8d15a6480a 100644 --- a/src/KSPACE/pair_buck_coul_long.cpp +++ b/src/KSPACE/pair_buck_coul_long.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_buck_coul_long.h" -#include + #include #include #include "atom.h" @@ -24,7 +24,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 3552e8bb86..a845ddd1d2 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_buck_long_coul_long.h" -#include + #include #include #include "math_vector.h" @@ -31,7 +31,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index 60187ce901..2520da2654 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_long.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index ff52720a08..261e93fbc9 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -29,7 +29,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp index b10cdf2b08..9df9862c11 100644 --- a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp @@ -33,7 +33,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp index ef25055a76..7fd8a72559 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_long.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.cpp b/src/KSPACE/pair_lj_cut_tip4p_long.cpp index 426ec00e55..a62c1bd55b 100644 --- a/src/KSPACE/pair_lj_cut_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_cut_tip4p_long.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_tip4p_long.h" -#include + #include #include #include "angle.h" @@ -30,7 +30,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 7b7a065e22..b6727c2c99 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_long_coul_long.h" -#include + #include #include #include "math_vector.h" @@ -33,8 +33,8 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp index c71fee8206..8f17bda008 100644 --- a/src/KSPACE/pair_lj_long_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_long_tip4p_long.h" -#include + #include #include #include "angle.h" @@ -30,7 +30,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/KSPACE/pair_tip4p_long.cpp b/src/KSPACE/pair_tip4p_long.cpp index ee7d4fed1b..54973c69c2 100644 --- a/src/KSPACE/pair_tip4p_long.cpp +++ b/src/KSPACE/pair_tip4p_long.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_tip4p_long.h" -#include + #include #include #include "angle.h" @@ -30,7 +30,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp index b8bbba73da..54169d08d7 100644 --- a/src/MANYBODY/fix_qeq_comb.cpp +++ b/src/MANYBODY/fix_qeq_comb.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_qeq_comb.h" -#include + #include #include #include "pair_comb.h" @@ -30,8 +30,8 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 74fd03e080..ff30ac7b1e 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_adp.h" -#include + #include -#include + #include #include "atom.h" #include "force.h" @@ -28,7 +28,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index 6d783545f7..50b5b7d953 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -23,7 +23,7 @@ #include "pair_airebo.h" #include #include -#include + #include "atom.h" #include "neighbor.h" #include "force.h" @@ -34,10 +34,10 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/MANYBODY/pair_atm.cpp b/src/MANYBODY/pair_atm.cpp index 60905fd2ff..2a69e70b81 100644 --- a/src/MANYBODY/pair_atm.cpp +++ b/src/MANYBODY/pair_atm.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_atm.h" -#include + #include #include "atom.h" #include "citeme.h" @@ -27,7 +27,7 @@ #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index 5b080c9f0e..28389cb59f 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -36,7 +36,7 @@ #include #include #include -#include + #include "atom.h" #include "neighbor.h" #include "neigh_request.h" @@ -45,10 +45,10 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 6b8d4e428e..a27aaef4ab 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -19,9 +19,9 @@ ------------------------------------------------------------------------- */ #include "pair_comb.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -34,7 +34,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 385e3ca35d..eea2fca927 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -18,9 +18,9 @@ ------------------------------------------------------------------------- */ #include "pair_comb3.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -33,10 +33,10 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 159ba55a29..999384ea2f 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "pair_eam.h" -#include + #include -#include + #include #include "atom.h" #include "force.h" @@ -28,7 +28,7 @@ #include "memory.h" #include "error.h" #include "update.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index 3e33d40ee4..193134c24c 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -16,14 +16,14 @@ ------------------------------------------------------------------------- */ #include "pair_eam_alloy.h" -#include + #include #include "atom.h" #include "comm.h" #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp index 4f5041090f..dc36c73272 100644 --- a/src/MANYBODY/pair_eam_cd.cpp +++ b/src/MANYBODY/pair_eam_cd.cpp @@ -18,9 +18,9 @@ ------------------------------------------------------------------------- */ #include "pair_eam_cd.h" -#include + #include -#include + #include #include "atom.h" #include "force.h" @@ -29,8 +29,8 @@ #include "memory.h" #include "error.h" #include "tokenizer.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index fbe6bee529..78d7f4646d 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -16,14 +16,14 @@ ------------------------------------------------------------------------- */ #include "pair_eam_fs.h" -#include + #include #include "atom.h" #include "comm.h" #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index cdd928788b..a17947b7fe 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_eim.h" -#include + #include #include #include "atom.h" @@ -26,10 +26,10 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_eim.h b/src/MANYBODY/pair_eim.h index 1266ffd242..75f8ea6bea 100644 --- a/src/MANYBODY/pair_eim.h +++ b/src/MANYBODY/pair_eim.h @@ -21,7 +21,7 @@ PairStyle(eim,PairEIM) #define LMP_PAIR_EIM_H #include "pair.h" -#include + #include namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index 0928d14696..051c30f873 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_gw.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -29,7 +29,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index 1a2bf5eb5d..dc33ab20a9 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_gw_zbl.h" -#include + #include -#include + #include #include "atom.h" #include "update.h" @@ -27,7 +27,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp index 56ef70d8f9..d2e478b37d 100644 --- a/src/MANYBODY/pair_lcbop.cpp +++ b/src/MANYBODY/pair_lcbop.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lcbop.h" -#include + #include #include #include "atom.h" @@ -29,7 +29,7 @@ #include "my_page.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index dc537a7b58..0a197a1576 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_nb3b_harmonic.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -29,7 +29,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index 502580719a..4c8ebaf8ad 100644 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_polymorphic.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -29,7 +29,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index f6b5a803d2..da6f7c1623 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "pair_sw.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -28,7 +28,7 @@ #include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index c57740963f..95212b23ab 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -28,7 +28,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index d1ab6f2034..b02545fb2b 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_mod.h" -#include + #include -#include + #include #include "atom.h" #include "force.h" @@ -28,7 +28,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index ff8916cdcd..325e9ac677 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -16,16 +16,16 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_mod_c.h" -#include + #include -#include + #include #include "atom.h" #include "force.h" #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index 141cb45964..4c967b4ebb 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_zbl.h" -#include + #include -#include + #include #include "atom.h" #include "update.h" @@ -29,7 +29,7 @@ #include "error.h" #include "math_const.h" #include "math_special.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index 815854a34b..63765234b3 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "pair_vashishta.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -29,7 +29,7 @@ #include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp index 53338f08dc..f786179aa4 100644 --- a/src/MC/fix_atom_swap.cpp +++ b/src/MC/fix_atom_swap.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_atom_swap.h" -#include + #include #include #include diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp index 833a071694..8a7cd20b0f 100644 --- a/src/MC/fix_bond_break.cpp +++ b/src/MC/fix_bond_break.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_bond_break.h" -#include + #include #include "update.h" #include "respa.h" diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index 9603fc1583..a2c2eee2c5 100644 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_bond_create.h" -#include + #include #include "update.h" #include "respa.h" diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp index 82b27d490f..270a497772 100644 --- a/src/MC/fix_bond_swap.cpp +++ b/src/MC/fix_bond_swap.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_bond_swap.h" -#include + #include #include #include "atom.h" diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index f286ab6807..fc306696ed 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_gcmc.h" -#include + #include #include #include "atom.h" diff --git a/src/MC/fix_tfmc.cpp b/src/MC/fix_tfmc.cpp index cf327dc2e1..b855c0b79e 100644 --- a/src/MC/fix_tfmc.cpp +++ b/src/MC/fix_tfmc.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_tfmc.h" -#include + #include #include #include diff --git a/src/MC/fix_widom.cpp b/src/MC/fix_widom.cpp index 7f6f7ae1bd..a87ead64a7 100644 --- a/src/MC/fix_widom.cpp +++ b/src/MC/fix_widom.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "fix_widom.h" #include "atom.h" diff --git a/src/MC/pair_dsmc.cpp b/src/MC/pair_dsmc.cpp index 30c66a671f..c00f5dcbff 100644 --- a/src/MC/pair_dsmc.cpp +++ b/src/MC/pair_dsmc.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_dsmc.h" -#include + #include #include #include "atom.h" @@ -27,8 +27,8 @@ #include "domain.h" #include "update.h" #include "random_mars.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; diff --git a/src/MISC/compute_msd_nongauss.cpp b/src/MISC/compute_msd_nongauss.cpp index 6123bf49af..7f4e6b1f3c 100644 --- a/src/MISC/compute_msd_nongauss.cpp +++ b/src/MISC/compute_msd_nongauss.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #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 286770017c..d8be8679c6 100644 --- a/src/MISC/compute_ti.cpp +++ b/src/MISC/compute_ti.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_ti.h" -#include + #include #include "atom.h" #include "update.h" @@ -27,7 +27,7 @@ #include "input.h" #include "variable.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MISC/dump_xtc.cpp b/src/MISC/dump_xtc.cpp index fbd56b9096..9f2bbfe424 100644 --- a/src/MISC/dump_xtc.cpp +++ b/src/MISC/dump_xtc.cpp @@ -24,7 +24,7 @@ #include "dump_xtc.h" #include -#include + #include #include #include "domain.h" diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp index 7d9766c57c..32e836f31d 100644 --- a/src/MISC/fix_deposit.cpp +++ b/src/MISC/fix_deposit.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_deposit.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_efield.cpp b/src/MISC/fix_efield.cpp index 0dc0be4947..bd2f9acfb9 100644 --- a/src/MISC/fix_efield.cpp +++ b/src/MISC/fix_efield.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_efield.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/MISC/fix_evaporate.cpp b/src/MISC/fix_evaporate.cpp index 153de8851b..6396d139a0 100644 --- a/src/MISC/fix_evaporate.cpp +++ b/src/MISC/fix_evaporate.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_evaporate.h" -#include + #include #include "atom.h" #include "atom_vec.h" diff --git a/src/MISC/fix_gld.cpp b/src/MISC/fix_gld.cpp index c4ff1ebeba..75642b632f 100644 --- a/src/MISC/fix_gld.cpp +++ b/src/MISC/fix_gld.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_gld.h" -#include + #include #include #include "atom.h" diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp index 3141f6496c..ab9a921d3e 100644 --- a/src/MISC/fix_orient_bcc.cpp +++ b/src/MISC/fix_orient_bcc.cpp @@ -21,9 +21,9 @@ #include "fix_orient_bcc.h" #include #include -#include -#include -#include + + + #include "atom.h" #include "update.h" #include "respa.h" @@ -36,8 +36,8 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp index bcba14c355..bcbdcfabc5 100644 --- a/src/MISC/fix_orient_fcc.cpp +++ b/src/MISC/fix_orient_fcc.cpp @@ -18,9 +18,9 @@ #include "fix_orient_fcc.h" #include #include -#include -#include -#include + + + #include "atom.h" #include "update.h" #include "respa.h" @@ -33,8 +33,8 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_thermal_conductivity.cpp b/src/MISC/fix_thermal_conductivity.cpp index 7eec60be8b..115045db81 100644 --- a/src/MISC/fix_thermal_conductivity.cpp +++ b/src/MISC/fix_thermal_conductivity.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_thermal_conductivity.h" -#include + #include #include "atom.h" #include "force.h" diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp index 24f988a76d..2d38f3c6c6 100644 --- a/src/MISC/fix_ttm.cpp +++ b/src/MISC/fix_ttm.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_ttm.h" -#include + #include #include #include "atom.h" @@ -29,8 +29,8 @@ #include "random_mars.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + #include "tokenizer.h" using namespace LAMMPS_NS; diff --git a/src/MISC/fix_viscosity.cpp b/src/MISC/fix_viscosity.cpp index b8c04132ea..9c021c5ca8 100644 --- a/src/MISC/fix_viscosity.cpp +++ b/src/MISC/fix_viscosity.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_viscosity.h" -#include + #include #include #include "atom.h" diff --git a/src/MISC/pair_nm_cut.cpp b/src/MISC/pair_nm_cut.cpp index e2e6f40857..4fc1fb0628 100644 --- a/src/MISC/pair_nm_cut.cpp +++ b/src/MISC/pair_nm_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_nm_cut.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp index efc84f22b5..4a18680415 100644 --- a/src/MISC/pair_nm_cut_coul_cut.cpp +++ b/src/MISC/pair_nm_cut_coul_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_nm_cut_coul_cut.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp index 79b1ebae66..576637c593 100644 --- a/src/MISC/pair_nm_cut_coul_long.cpp +++ b/src/MISC/pair_nm_cut_coul_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_nm_cut_coul_long.h" -#include + #include #include #include "atom.h" @@ -28,7 +28,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MLIAP/compute_mliap.cpp b/src/MLIAP/compute_mliap.cpp index 134994f829..aad28c7bb1 100644 --- a/src/MLIAP/compute_mliap.cpp +++ b/src/MLIAP/compute_mliap.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include "mliap_data.h" #include "mliap_model_linear.h" #include "mliap_model_quadratic.h" diff --git a/src/MLIAP/compute_mliap.h b/src/MLIAP/compute_mliap.h index 5602ace89b..1172111247 100644 --- a/src/MLIAP/compute_mliap.h +++ b/src/MLIAP/compute_mliap.h @@ -21,7 +21,7 @@ ComputeStyle(mliap,ComputeMLIAP) #define LMP_COMPUTE_MLIAP_H #include "compute.h" -#include + namespace LAMMPS_NS { diff --git a/src/MLIAP/pair_mliap.cpp b/src/MLIAP/pair_mliap.cpp index f2e042141c..d74a1820cc 100644 --- a/src/MLIAP/pair_mliap.cpp +++ b/src/MLIAP/pair_mliap.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include + #include -#include + #include #include "mliap_data.h" #include "mliap_model_linear.h" diff --git a/src/MOLECULE/angle_charmm.cpp b/src/MOLECULE/angle_charmm.cpp index 117056ac58..6cd550384d 100644 --- a/src/MOLECULE/angle_charmm.cpp +++ b/src/MOLECULE/angle_charmm.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_charmm.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/angle_cosine.cpp b/src/MOLECULE/angle_cosine.cpp index 732843f412..0288a61d83 100644 --- a/src/MOLECULE/angle_cosine.cpp +++ b/src/MOLECULE/angle_cosine.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "angle_cosine.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/angle_cosine_periodic.cpp b/src/MOLECULE/angle_cosine_periodic.cpp index 2ec59bfb1e..1a05edc20b 100644 --- a/src/MOLECULE/angle_cosine_periodic.cpp +++ b/src/MOLECULE/angle_cosine_periodic.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_cosine_periodic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -27,7 +27,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/angle_cosine_squared.cpp b/src/MOLECULE/angle_cosine_squared.cpp index ac276511a2..5fb40b54c9 100644 --- a/src/MOLECULE/angle_cosine_squared.cpp +++ b/src/MOLECULE/angle_cosine_squared.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_cosine_squared.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/angle_harmonic.cpp b/src/MOLECULE/angle_harmonic.cpp index 02bab37a8a..eb5e48ec9b 100644 --- a/src/MOLECULE/angle_harmonic.cpp +++ b/src/MOLECULE/angle_harmonic.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "angle_harmonic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp index 83e4485d48..100b75cb0a 100644 --- a/src/MOLECULE/angle_table.cpp +++ b/src/MOLECULE/angle_table.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "angle_table.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -28,10 +28,10 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "table_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/atom_vec_template.cpp b/src/MOLECULE/atom_vec_template.cpp index 97d4c865ba..514250d058 100644 --- a/src/MOLECULE/atom_vec_template.cpp +++ b/src/MOLECULE/atom_vec_template.cpp @@ -20,7 +20,7 @@ #include "fix.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_fene.cpp b/src/MOLECULE/bond_fene.cpp index 9617894a9a..b2271d45fc 100644 --- a/src/MOLECULE/bond_fene.cpp +++ b/src/MOLECULE/bond_fene.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "bond_fene.h" -#include + #include #include #include "atom.h" @@ -22,8 +22,8 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_fene_expand.cpp b/src/MOLECULE/bond_fene_expand.cpp index eec8c14872..676d5f6871 100644 --- a/src/MOLECULE/bond_fene_expand.cpp +++ b/src/MOLECULE/bond_fene_expand.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "bond_fene_expand.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -21,7 +21,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_gromos.cpp b/src/MOLECULE/bond_gromos.cpp index 4e20a2711d..89b3830cb5 100644 --- a/src/MOLECULE/bond_gromos.cpp +++ b/src/MOLECULE/bond_gromos.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "bond_gromos.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_harmonic.cpp b/src/MOLECULE/bond_harmonic.cpp index 773a4ee12a..28100512a8 100644 --- a/src/MOLECULE/bond_harmonic.cpp +++ b/src/MOLECULE/bond_harmonic.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "bond_harmonic.h" -#include + #include #include #include "atom.h" @@ -21,7 +21,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_morse.cpp b/src/MOLECULE/bond_morse.cpp index 38d8d6a45f..49074e1cdc 100644 --- a/src/MOLECULE/bond_morse.cpp +++ b/src/MOLECULE/bond_morse.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "bond_morse.h" -#include + #include #include #include "atom.h" @@ -25,7 +25,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_nonlinear.cpp b/src/MOLECULE/bond_nonlinear.cpp index 1733ffc670..63b640730a 100644 --- a/src/MOLECULE/bond_nonlinear.cpp +++ b/src/MOLECULE/bond_nonlinear.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "bond_nonlinear.h" -#include + #include #include #include "atom.h" @@ -21,7 +21,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_quartic.cpp b/src/MOLECULE/bond_quartic.cpp index c89ac552ae..c8d182e4ff 100644 --- a/src/MOLECULE/bond_quartic.cpp +++ b/src/MOLECULE/bond_quartic.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "bond_quartic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -25,7 +25,7 @@ #include "pair.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp index 2724d4f20c..5cc91ceae0 100644 --- a/src/MOLECULE/bond_table.cpp +++ b/src/MOLECULE/bond_table.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "bond_table.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,10 +26,10 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "table_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index 71c9f586a3..11422e0820 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_charmm.h" -#include + #include #include #include "atom.h" @@ -29,7 +29,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp index d4956b42bd..408be8ef99 100644 --- a/src/MOLECULE/dihedral_charmmfsw.cpp +++ b/src/MOLECULE/dihedral_charmmfsw.cpp @@ -19,7 +19,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_charmmfsw.h" -#include + #include #include #include "atom.h" @@ -32,7 +32,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/dihedral_harmonic.cpp b/src/MOLECULE/dihedral_harmonic.cpp index 403bafd23e..55e2f25006 100644 --- a/src/MOLECULE/dihedral_harmonic.cpp +++ b/src/MOLECULE/dihedral_harmonic.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_harmonic.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp index ce31a12ed3..40e026c2f1 100644 --- a/src/MOLECULE/dihedral_helix.cpp +++ b/src/MOLECULE/dihedral_helix.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_helix.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/dihedral_multi_harmonic.cpp b/src/MOLECULE/dihedral_multi_harmonic.cpp index a3c76b91ee..963304da80 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.cpp +++ b/src/MOLECULE/dihedral_multi_harmonic.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_multi_harmonic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -25,7 +25,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/dihedral_opls.cpp b/src/MOLECULE/dihedral_opls.cpp index 151986ca3f..fe05dc7c3d 100644 --- a/src/MOLECULE/dihedral_opls.cpp +++ b/src/MOLECULE/dihedral_opls.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_opls.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index ddf035070b..2de6dd4183 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -28,9 +28,9 @@ ------------------------------------------------------------------------- */ #include "fix_cmap.h" -#include + #include -#include + #include #include "atom.h" #include "update.h" @@ -41,8 +41,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MOLECULE/improper_cvff.cpp b/src/MOLECULE/improper_cvff.cpp index d819642bb1..90cf3eee39 100644 --- a/src/MOLECULE/improper_cvff.cpp +++ b/src/MOLECULE/improper_cvff.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "improper_cvff.h" -#include + #include #include "atom.h" #include "comm.h" @@ -21,7 +21,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/improper_harmonic.cpp b/src/MOLECULE/improper_harmonic.cpp index 2af1126876..6327ea8b06 100644 --- a/src/MOLECULE/improper_harmonic.cpp +++ b/src/MOLECULE/improper_harmonic.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "improper_harmonic.h" -#include + #include #include "atom.h" #include "comm.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/improper_umbrella.cpp b/src/MOLECULE/improper_umbrella.cpp index 1f2da63486..7b2c4e0b09 100644 --- a/src/MOLECULE/improper_umbrella.cpp +++ b/src/MOLECULE/improper_umbrella.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "improper_umbrella.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp index 69ea81a017..6d9c851422 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp @@ -30,7 +30,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp index 8d6dfc7d68..422da8d827 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp @@ -30,7 +30,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp index f09f9a483a..dea6bd6251 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_charmm_coul_charmm.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp index e646392e0e..31083312a9 100644 --- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp +++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp @@ -20,7 +20,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_charmmfsw_coul_charmmfsh.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp index b23195086c..b5ed255789 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_tip4p_cut.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp index bea8acbcbc..8d8f5ec78e 100644 --- a/src/MOLECULE/pair_tip4p_cut.cpp +++ b/src/MOLECULE/pair_tip4p_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_tip4p_cut.h" -#include + #include #include "atom.h" #include "force.h" @@ -28,7 +28,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/MPIIO/dump_atom_mpiio.cpp b/src/MPIIO/dump_atom_mpiio.cpp index 9d15e8b1a8..62d940af37 100644 --- a/src/MPIIO/dump_atom_mpiio.cpp +++ b/src/MPIIO/dump_atom_mpiio.cpp @@ -18,7 +18,7 @@ #include "omp_compat.h" #include "dump_atom_mpiio.h" #include -#include + #include #include "domain.h" #include "update.h" diff --git a/src/MPIIO/dump_cfg_mpiio.cpp b/src/MPIIO/dump_cfg_mpiio.cpp index bca19e58c8..e05b7bf317 100644 --- a/src/MPIIO/dump_cfg_mpiio.cpp +++ b/src/MPIIO/dump_cfg_mpiio.cpp @@ -18,7 +18,7 @@ #include "omp_compat.h" #include "dump_cfg_mpiio.h" #include -#include + #include #include "atom.h" #include "domain.h" diff --git a/src/MPIIO/dump_custom_mpiio.cpp b/src/MPIIO/dump_custom_mpiio.cpp index 3f9c09738e..b623df82d0 100644 --- a/src/MPIIO/dump_custom_mpiio.cpp +++ b/src/MPIIO/dump_custom_mpiio.cpp @@ -18,7 +18,7 @@ #include "omp_compat.h" #include "dump_custom_mpiio.h" #include -#include + #include #include "domain.h" #include "input.h" diff --git a/src/MPIIO/dump_xyz_mpiio.cpp b/src/MPIIO/dump_xyz_mpiio.cpp index d1b2d5079a..139245e4b0 100644 --- a/src/MPIIO/dump_xyz_mpiio.cpp +++ b/src/MPIIO/dump_xyz_mpiio.cpp @@ -18,7 +18,7 @@ #include "omp_compat.h" #include "dump_xyz_mpiio.h" #include -#include + #include #include "domain.h" #include "update.h" diff --git a/src/MSCG/fix_mscg.cpp b/src/MSCG/fix_mscg.cpp index 9c9e415be5..29d6d550e4 100644 --- a/src/MSCG/fix_mscg.cpp +++ b/src/MSCG/fix_mscg.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "fix_mscg.h" -#include + #include -#include + #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 e6b6fb72f4..82510e8177 100644 --- a/src/OPT/pair_eam_opt.cpp +++ b/src/OPT/pair_eam_opt.cpp @@ -21,7 +21,7 @@ #include "pair_eam_opt.h" #include -#include + #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 3dc6bdb6b4..a7fbfb823a 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.cpp +++ b/src/OPT/pair_lj_charmm_coul_long_opt.cpp @@ -20,7 +20,7 @@ #include "pair_lj_charmm_coul_long_opt.h" #include -#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 3b3a19a9e8..a31f521ecc 100644 --- a/src/OPT/pair_lj_cut_opt.cpp +++ b/src/OPT/pair_lj_cut_opt.cpp @@ -19,7 +19,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_opt.h" -#include + #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 1d2e226777..89d254ee04 100644 --- a/src/OPT/pair_morse_opt.cpp +++ b/src/OPT/pair_morse_opt.cpp @@ -20,7 +20,7 @@ #include "pair_morse_opt.h" #include -#include + #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 d824d82e6c..2cb5323745 100644 --- a/src/OPT/pair_ufm_opt.cpp +++ b/src/OPT/pair_ufm_opt.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_ufm_opt.h" -#include + #include #include "atom.h" #include "force.h" diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index 022eb0bab6..2950381197 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_peri_neigh.h" -#include + #include #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 5e3a514b61..b3986e75fa 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include "pair_peri_eps.h" -#include + #include #include -#include + #include "atom.h" #include "domain.h" #include "lattice.h" @@ -33,7 +33,7 @@ #include "memory.h" #include "math_const.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index e73e2eff67..101a6d0bd9 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include "pair_peri_lps.h" -#include + #include #include -#include + #include "atom.h" #include "domain.h" #include "lattice.h" @@ -32,7 +32,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "math_const.h" using namespace LAMMPS_NS; diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp index cf751885d6..c5f893dd32 100644 --- a/src/PERI/pair_peri_pmb.cpp +++ b/src/PERI/pair_peri_pmb.cpp @@ -16,11 +16,11 @@ ------------------------------------------------------------------------- */ #include "pair_peri_pmb.h" -#include + #include #include #include -#include + #include "atom.h" #include "domain.h" #include "lattice.h" @@ -33,7 +33,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index 138584123a..dca80cc6fd 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include "pair_peri_ves.h" -#include + #include #include -#include + #include "atom.h" #include "domain.h" #include "lattice.h" @@ -32,7 +32,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "update.h" using namespace LAMMPS_NS; diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp index b0b1287717..12dc59c286 100644 --- a/src/POEMS/fix_poems.cpp +++ b/src/POEMS/fix_poems.cpp @@ -18,10 +18,10 @@ ------------------------------------------------------------------------- */ #include "fix_poems.h" -#include + #include #include -#include + #include "workspace.h" #include "atom.h" #include "domain.h" @@ -34,8 +34,8 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/PYTHON/pair_python.cpp b/src/PYTHON/pair_python.cpp index d0650bcb51..c59ba5eb5f 100644 --- a/src/PYTHON/pair_python.cpp +++ b/src/PYTHON/pair_python.cpp @@ -17,7 +17,7 @@ #include "pair_python.h" #include // IWYU pragma: keep -#include + #include #include "atom.h" #include "force.h" diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index ba4932a485..5cadce617f 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_qeq.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index a2cc683b56..7f50736b18 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "fix_qeq_dynamic.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_fire.cpp b/src/QEQ/fix_qeq_fire.cpp index 265528a089..6dcc5e9cdc 100644 --- a/src/QEQ/fix_qeq_fire.cpp +++ b/src/QEQ/fix_qeq_fire.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "fix_qeq_fire.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp index 4f5369eb87..327a9c5b3a 100644 --- a/src/QEQ/fix_qeq_slater.cpp +++ b/src/QEQ/fix_qeq_slater.cpp @@ -17,7 +17,7 @@ #include "fix_qeq_slater.h" #include -#include + #include #include "atom.h" #include "comm.h" diff --git a/src/REPLICA/compute_event_displace.cpp b/src/REPLICA/compute_event_displace.cpp index e130f85f5f..d7abcb62b8 100644 --- a/src/REPLICA/compute_event_displace.cpp +++ b/src/REPLICA/compute_event_displace.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_event_displace.h" -#include + #include #include "atom.h" #include "domain.h" diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp index 16c37fcb77..f104d14c2f 100644 --- a/src/REPLICA/fix_hyper_global.cpp +++ b/src/REPLICA/fix_hyper_global.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_hyper_global.h" -#include + #include #include #include "atom.h" diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp index 9e3ce9b00d..e57419022c 100644 --- a/src/REPLICA/fix_hyper_local.cpp +++ b/src/REPLICA/fix_hyper_local.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include "fix_hyper_local.h" -#include + #include #include -#include + #include "atom.h" #include "update.h" #include "group.h" @@ -30,7 +30,7 @@ #include "math_extra.h" #include "memory.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index 93689eb7f9..76953b6c2c 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include "fix_neb.h" -#include + #include #include -#include + #include "universe.h" #include "update.h" #include "atom.h" diff --git a/src/RIGID/fix_ehex.cpp b/src/RIGID/fix_ehex.cpp index 03119d304e..03b79cc750 100644 --- a/src/RIGID/fix_ehex.cpp +++ b/src/RIGID/fix_ehex.cpp @@ -23,7 +23,7 @@ ------------------------------------------------------------------------- */ #include "fix_ehex.h" -#include + #include #include #include "atom.h" diff --git a/src/RIGID/fix_rattle.cpp b/src/RIGID/fix_rattle.cpp index ff31ab9755..436b2191ff 100644 --- a/src/RIGID/fix_rattle.cpp +++ b/src/RIGID/fix_rattle.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_rattle.h" -#include + #include #include #include "atom.h" diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index 761b957292..f74cce8233 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "fix_rigid.h" -#include + #include -#include + #include #include "math_extra.h" #include "atom.h" @@ -35,8 +35,8 @@ #include "memory.h" #include "error.h" #include "rigid_const.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 5b75640549..d1204e2bbc 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "fix_rigid_nh_small.h" -#include + #include #include #include "math_extra.h" diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 01dd9e889e..85cadc826e 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "fix_rigid_small.h" -#include + #include -#include + #include #include #include "math_extra.h" @@ -39,8 +39,8 @@ #include "memory.h" #include "error.h" #include "rigid_const.h" -#include "utils.h" -#include "fmt/format.h" + + #include diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp index d6603cd7b6..ee88f57341 100644 --- a/src/RIGID/fix_shake.cpp +++ b/src/RIGID/fix_shake.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_shake.h" -#include + #include #include #include @@ -32,8 +32,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp index b5b586bc7f..509e45202c 100644 --- a/src/SHOCK/fix_append_atoms.cpp +++ b/src/SHOCK/fix_append_atoms.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_append_atoms.h" -#include + #include #include #include "atom.h" diff --git a/src/SHOCK/fix_msst.cpp b/src/SHOCK/fix_msst.cpp index 986b1323e8..3930133221 100644 --- a/src/SHOCK/fix_msst.cpp +++ b/src/SHOCK/fix_msst.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "fix_msst.h" -#include + #include #include #include "atom.h" @@ -32,8 +32,8 @@ #include "domain.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp index 1e85441d1f..37b82b86f0 100644 --- a/src/SNAP/compute_sna_atom.cpp +++ b/src/SNAP/compute_sna_atom.cpp @@ -13,7 +13,7 @@ #include "compute_sna_atom.h" #include -#include + #include "sna.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp index 1376193070..bb546708b8 100644 --- a/src/SNAP/compute_snad_atom.cpp +++ b/src/SNAP/compute_snad_atom.cpp @@ -13,7 +13,7 @@ #include "compute_snad_atom.h" #include -#include + #include "sna.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/compute_snap.cpp b/src/SNAP/compute_snap.cpp index eb18b7274e..ca989a75b4 100644 --- a/src/SNAP/compute_snap.cpp +++ b/src/SNAP/compute_snap.cpp @@ -13,7 +13,7 @@ #include "compute_snap.h" #include -#include + #include "sna.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp index 066fc56c11..dd562cac5c 100644 --- a/src/SNAP/compute_snav_atom.cpp +++ b/src/SNAP/compute_snav_atom.cpp @@ -13,7 +13,7 @@ #include "compute_snav_atom.h" #include -#include + #include "sna.h" #include "atom.h" #include "update.h" diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index 48014592ed..cb1a71aa45 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "pair_snap.h" -#include + #include -#include + #include #include "atom.h" #include "force.h" @@ -25,7 +25,7 @@ #include "sna.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp index 94eff27f53..281100740a 100644 --- a/src/SPIN/compute_spin.cpp +++ b/src/SPIN/compute_spin.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "compute_spin.h" -#include + #include #include #include "atom.h" diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp index 6df9dd4af2..82bf83ac10 100644 --- a/src/SPIN/fix_langevin_spin.cpp +++ b/src/SPIN/fix_langevin_spin.cpp @@ -34,7 +34,7 @@ #include "random_mars.h" #include "respa.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/SPIN/fix_neb_spin.cpp b/src/SPIN/fix_neb_spin.cpp index 110cfb58d8..0b2e86e465 100644 --- a/src/SPIN/fix_neb_spin.cpp +++ b/src/SPIN/fix_neb_spin.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "fix_neb_spin.h" -#include + #include #include #include "universe.h" diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp index 9a33f0d61d..cbb367e438 100644 --- a/src/SPIN/fix_precession_spin.cpp +++ b/src/SPIN/fix_precession_spin.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "fix_precession_spin.h" -#include + #include #include #include "atom.h" diff --git a/src/SPIN/pair_spin_dipole_cut.cpp b/src/SPIN/pair_spin_dipole_cut.cpp index 5573d914b7..4da05c57cb 100644 --- a/src/SPIN/pair_spin_dipole_cut.cpp +++ b/src/SPIN/pair_spin_dipole_cut.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "pair_spin_dipole_cut.h" -#include + #include #include #include "atom.h" @@ -35,7 +35,7 @@ #include "modify.h" #include "error.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/SPIN/pair_spin_dipole_long.cpp b/src/SPIN/pair_spin_dipole_long.cpp index 4188bb214c..605370f7f1 100644 --- a/src/SPIN/pair_spin_dipole_long.cpp +++ b/src/SPIN/pair_spin_dipole_long.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_spin_dipole_long.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "modify.h" #include "error.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/SPIN/pair_spin_dmi.cpp b/src/SPIN/pair_spin_dmi.cpp index b4b3fcb6f5..0a5bde2c9f 100644 --- a/src/SPIN/pair_spin_dmi.cpp +++ b/src/SPIN/pair_spin_dmi.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "pair_spin_dmi.h" -#include + #include #include #include "atom.h" @@ -34,7 +34,7 @@ #include "memory.h" #include "modify.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp index b82dca3dcc..a932aa5c54 100644 --- a/src/SPIN/pair_spin_exchange.cpp +++ b/src/SPIN/pair_spin_exchange.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "pair_spin_exchange.h" -#include + #include #include #include "atom.h" @@ -34,7 +34,7 @@ #include "memory.h" #include "modify.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/SPIN/pair_spin_magelec.cpp b/src/SPIN/pair_spin_magelec.cpp index 50cd1fe54a..65a2904228 100644 --- a/src/SPIN/pair_spin_magelec.cpp +++ b/src/SPIN/pair_spin_magelec.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "pair_spin_magelec.h" -#include + #include #include #include "atom.h" @@ -34,7 +34,7 @@ #include "memory.h" #include "modify.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/SPIN/pair_spin_neel.cpp b/src/SPIN/pair_spin_neel.cpp index 4468e157b4..ceb487d378 100644 --- a/src/SPIN/pair_spin_neel.cpp +++ b/src/SPIN/pair_spin_neel.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "pair_spin_neel.h" -#include + #include #include #include "atom.h" @@ -34,7 +34,7 @@ #include "memory.h" #include "modify.h" #include "update.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp index ca0bdbac0a..688522c1bd 100644 --- a/src/SRD/fix_srd.cpp +++ b/src/SRD/fix_srd.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_srd.h" -#include + #include #include #include "math_extra.h" diff --git a/src/SRD/fix_wall_srd.cpp b/src/SRD/fix_wall_srd.cpp index 8b9ea6fb79..461dc5f5ad 100644 --- a/src/SRD/fix_wall_srd.cpp +++ b/src/SRD/fix_wall_srd.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_wall_srd.h" -#include + #include #include "fix.h" #include "domain.h" diff --git a/src/USER-AWPMD/fix_nve_awpmd.cpp b/src/USER-AWPMD/fix_nve_awpmd.cpp index 2aa2e7680b..178f0f42de 100644 --- a/src/USER-AWPMD/fix_nve_awpmd.cpp +++ b/src/USER-AWPMD/fix_nve_awpmd.cpp @@ -22,7 +22,7 @@ #include "update.h" #include "respa.h" #include "error.h" -#include "utils.h" + #include "TCP/wpmd_split.h" diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp index 4d812852db..18704deb0b 100644 --- a/src/USER-AWPMD/pair_awpmd_cut.cpp +++ b/src/USER-AWPMD/pair_awpmd_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_awpmd_cut.h" -#include + #include #include #include @@ -32,7 +32,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "logexc.h" #include "vector_3.h" diff --git a/src/USER-BOCS/compute_pressure_bocs.cpp b/src/USER-BOCS/compute_pressure_bocs.cpp index 39da9fc23b..4af2356e1a 100644 --- a/src/USER-BOCS/compute_pressure_bocs.cpp +++ b/src/USER-BOCS/compute_pressure_bocs.cpp @@ -16,10 +16,10 @@ #include "compute_pressure_bocs.h" -#include + #include #include -#include + #include "angle.h" #include "atom.h" @@ -28,7 +28,7 @@ #include "domain.h" #include "error.h" #include "fix.h" -#include "fmt/format.h" + #include "force.h" #include "improper.h" #include "kspace.h" diff --git a/src/USER-BOCS/fix_bocs.cpp b/src/USER-BOCS/fix_bocs.cpp index c61a37388b..6f7962c83f 100644 --- a/src/USER-BOCS/fix_bocs.cpp +++ b/src/USER-BOCS/fix_bocs.cpp @@ -17,7 +17,7 @@ #include "fix_bocs.h" #include -#include + #include #include @@ -29,7 +29,7 @@ #include "domain.h" #include "error.h" #include "fix_deform.h" -#include "fmt/format.h" + #include "force.h" #include "group.h" #include "irregular.h" diff --git a/src/USER-CGDNA/bond_oxdna_fene.cpp b/src/USER-CGDNA/bond_oxdna_fene.cpp index cc70f2fb31..c9540bf0c0 100644 --- a/src/USER-CGDNA/bond_oxdna_fene.cpp +++ b/src/USER-CGDNA/bond_oxdna_fene.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "bond_oxdna_fene.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/bond_oxrna2_fene.cpp b/src/USER-CGDNA/bond_oxrna2_fene.cpp index bdddccda87..152961f290 100644 --- a/src/USER-CGDNA/bond_oxrna2_fene.cpp +++ b/src/USER-CGDNA/bond_oxrna2_fene.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include "bond_oxrna2_fene.h" using namespace LAMMPS_NS; diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp index 32ee0ed145..60c1c8788f 100644 --- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp +++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna2_coaxstk.h" -#include + #include #include #include "mf_oxdna.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxdna2_dh.cpp b/src/USER-CGDNA/pair_oxdna2_dh.cpp index 04aaf82ccb..7d2c8aa2c2 100644 --- a/src/USER-CGDNA/pair_oxdna2_dh.cpp +++ b/src/USER-CGDNA/pair_oxdna2_dh.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna2_dh.h" -#include + #include #include #include "atom.h" @@ -25,7 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp index 87f58857bb..17ba194030 100644 --- a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp +++ b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna_coaxstk.h" -#include + #include #include #include "mf_oxdna.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxdna_excv.cpp b/src/USER-CGDNA/pair_oxdna_excv.cpp index 22ed310003..33005046b7 100644 --- a/src/USER-CGDNA/pair_oxdna_excv.cpp +++ b/src/USER-CGDNA/pair_oxdna_excv.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna_excv.h" -#include + #include #include #include "mf_oxdna.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxdna_hbond.cpp b/src/USER-CGDNA/pair_oxdna_hbond.cpp index df952d0ff2..88c5dc5e36 100644 --- a/src/USER-CGDNA/pair_oxdna_hbond.cpp +++ b/src/USER-CGDNA/pair_oxdna_hbond.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna_hbond.h" -#include + #include #include #include "mf_oxdna.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxdna_stk.cpp b/src/USER-CGDNA/pair_oxdna_stk.cpp index fa9204ed86..bf52d61182 100644 --- a/src/USER-CGDNA/pair_oxdna_stk.cpp +++ b/src/USER-CGDNA/pair_oxdna_stk.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna_stk.h" -#include + #include #include #include @@ -26,7 +26,7 @@ #include "neighbor.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxdna_xstk.cpp b/src/USER-CGDNA/pair_oxdna_xstk.cpp index 7845451daf..87de92e0e0 100644 --- a/src/USER-CGDNA/pair_oxdna_xstk.cpp +++ b/src/USER-CGDNA/pair_oxdna_xstk.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxdna_xstk.h" -#include + #include #include #include "mf_oxdna.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxrna2_excv.cpp b/src/USER-CGDNA/pair_oxrna2_excv.cpp index 3c0194d636..ec93ce592e 100644 --- a/src/USER-CGDNA/pair_oxrna2_excv.cpp +++ b/src/USER-CGDNA/pair_oxrna2_excv.cpp @@ -16,7 +16,7 @@ #include #include -#include + #include #include "pair_oxrna2_excv.h" diff --git a/src/USER-CGDNA/pair_oxrna2_stk.cpp b/src/USER-CGDNA/pair_oxrna2_stk.cpp index 1b6c577a19..d38ccb86ab 100644 --- a/src/USER-CGDNA/pair_oxrna2_stk.cpp +++ b/src/USER-CGDNA/pair_oxrna2_stk.cpp @@ -16,7 +16,7 @@ #include #include -#include + #include #include "pair_oxrna2_stk.h" #include "mf_oxdna.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGDNA/pair_oxrna2_xstk.cpp b/src/USER-CGDNA/pair_oxrna2_xstk.cpp index 11c2f2b9b1..f3f65b695e 100644 --- a/src/USER-CGDNA/pair_oxrna2_xstk.cpp +++ b/src/USER-CGDNA/pair_oxrna2_xstk.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_oxrna2_xstk.h" -#include + #include #include #include "mf_oxdna.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "atom_vec_ellipsoid.h" #include "math_extra.h" diff --git a/src/USER-CGSDK/angle_sdk.cpp b/src/USER-CGSDK/angle_sdk.cpp index d535baeda5..6f97d2104f 100644 --- a/src/USER-CGSDK/angle_sdk.cpp +++ b/src/USER-CGSDK/angle_sdk.cpp @@ -19,7 +19,7 @@ ------------------------------------------------------------------------- */ #include "angle_sdk.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -30,7 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "lj_sdk_common.h" diff --git a/src/USER-CGSDK/pair_lj_sdk.cpp b/src/USER-CGSDK/pair_lj_sdk.cpp index cf478e85fb..8185e24876 100644 --- a/src/USER-CGSDK/pair_lj_sdk.cpp +++ b/src/USER-CGSDK/pair_lj_sdk.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_sdk.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #define LMP_NEED_SDK_FIND_LJ_TYPE 1 #include "lj_sdk_common.h" diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp index cd02c7f9e1..42f1ff3ce7 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp +++ b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_sdk_coul_long.h" -#include + #include #include #include "atom.h" @@ -28,7 +28,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #define LMP_NEED_SDK_FIND_LJ_TYPE 1 #include "lj_sdk_common.h" diff --git a/src/USER-COLVARS/fix_colvars.cpp b/src/USER-COLVARS/fix_colvars.cpp index f9e071a0b3..fc575c2e79 100644 --- a/src/USER-COLVARS/fix_colvars.cpp +++ b/src/USER-COLVARS/fix_colvars.cpp @@ -25,11 +25,11 @@ ------------------------------------------------------------------------- */ #include "fix_colvars.h" -#include -#include + + #include #include -#include + #include #include diff --git a/src/USER-DIFFRACTION/compute_saed.cpp b/src/USER-DIFFRACTION/compute_saed.cpp index 5dd47b28bd..677bf62a25 100644 --- a/src/USER-DIFFRACTION/compute_saed.cpp +++ b/src/USER-DIFFRACTION/compute_saed.cpp @@ -17,9 +17,9 @@ #include "omp_compat.h" #include "compute_saed.h" -#include + #include -#include + #include #include "math_const.h" #include "compute_saed_consts.h" diff --git a/src/USER-DIFFRACTION/compute_xrd.cpp b/src/USER-DIFFRACTION/compute_xrd.cpp index e75546b548..0dac7aca5e 100644 --- a/src/USER-DIFFRACTION/compute_xrd.cpp +++ b/src/USER-DIFFRACTION/compute_xrd.cpp @@ -18,9 +18,9 @@ #include "omp_compat.h" #include "compute_xrd.h" -#include + #include -#include + #include #include "math_const.h" #include "compute_xrd_consts.h" diff --git a/src/USER-DIFFRACTION/fix_saed_vtk.cpp b/src/USER-DIFFRACTION/fix_saed_vtk.cpp index 0a018338a4..08833db224 100644 --- a/src/USER-DIFFRACTION/fix_saed_vtk.cpp +++ b/src/USER-DIFFRACTION/fix_saed_vtk.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_saed_vtk.h" -#include + #include #include #include "update.h" diff --git a/src/USER-DPD/compute_dpd.cpp b/src/USER-DPD/compute_dpd.cpp index 0ef7868164..97e12d5cb4 100644 --- a/src/USER-DPD/compute_dpd.cpp +++ b/src/USER-DPD/compute_dpd.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_dpd.h" -#include + #include "atom.h" #include "update.h" #include "error.h" diff --git a/src/USER-DPD/fix_eos_table.cpp b/src/USER-DPD/fix_eos_table.cpp index 69e5336945..7134eaca22 100644 --- a/src/USER-DPD/fix_eos_table.cpp +++ b/src/USER-DPD/fix_eos_table.cpp @@ -16,14 +16,14 @@ ------------------------------------------------------------------------- */ #include "fix_eos_table.h" -#include -#include + + #include #include "atom.h" #include "error.h" #include "force.h" #include "memory.h" -#include "utils.h" + #define MAXLINE 1024 diff --git a/src/USER-DPD/fix_eos_table_rx.cpp b/src/USER-DPD/fix_eos_table_rx.cpp index d728f7e987..c220d84a57 100644 --- a/src/USER-DPD/fix_eos_table_rx.cpp +++ b/src/USER-DPD/fix_eos_table_rx.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include "fix_eos_table_rx.h" -#include -#include + + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "memory.h" #include "comm.h" #include "modify.h" -#include "utils.h" + #define MAXLINE 1024 diff --git a/src/USER-DPD/fix_rx.cpp b/src/USER-DPD/fix_rx.cpp index ced7283ef4..d974d12473 100644 --- a/src/USER-DPD/fix_rx.cpp +++ b/src/USER-DPD/fix_rx.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include "fix_rx.h" -#include -#include + + #include #include #include // DBL_EPSILON @@ -31,7 +31,7 @@ #include "neigh_request.h" #include "math_special.h" #include "pair_dpd_fdt_energy.h" -#include "utils.h" + #include // std::vector<> #include // std::max diff --git a/src/USER-DPD/fix_shardlow.cpp b/src/USER-DPD/fix_shardlow.cpp index 18c86976ac..e533140dd6 100644 --- a/src/USER-DPD/fix_shardlow.cpp +++ b/src/USER-DPD/fix_shardlow.cpp @@ -34,7 +34,7 @@ ------------------------------------------------------------------------- */ #include "fix_shardlow.h" -#include + #include #include #include @@ -54,7 +54,7 @@ #include "pair_dpd_fdt_energy.h" #include "npair_half_bin_newton_ssa.h" #include "citeme.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-DPD/pair_dpd_fdt.cpp b/src/USER-DPD/pair_dpd_fdt.cpp index 876d76a42f..c988f4205c 100644 --- a/src/USER-DPD/pair_dpd_fdt.cpp +++ b/src/USER-DPD/pair_dpd_fdt.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_dpd_fdt.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "memory.h" #include "modify.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-DPD/pair_dpd_fdt_energy.cpp b/src/USER-DPD/pair_dpd_fdt_energy.cpp index 3686bcb7e9..9231ab7ba3 100644 --- a/src/USER-DPD/pair_dpd_fdt_energy.cpp +++ b/src/USER-DPD/pair_dpd_fdt_energy.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_dpd_fdt_energy.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "memory.h" #include "modify.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-DPD/pair_exp6_rx.cpp b/src/USER-DPD/pair_exp6_rx.cpp index 839d22b50b..666a1b0ea9 100644 --- a/src/USER-DPD/pair_exp6_rx.cpp +++ b/src/USER-DPD/pair_exp6_rx.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "pair_exp6_rx.h" -#include + #include -#include + #include #include #include "atom.h" @@ -24,7 +24,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "modify.h" #include "fix.h" diff --git a/src/USER-DPD/pair_multi_lucy.cpp b/src/USER-DPD/pair_multi_lucy.cpp index f9074d5c05..ceb5c78eaf 100644 --- a/src/USER-DPD/pair_multi_lucy.cpp +++ b/src/USER-DPD/pair_multi_lucy.cpp @@ -21,10 +21,10 @@ The Journal of Chemical Physics, 2016, 144, 104501. ------------------------------------------------------------------------------------------- */ -#include + #include #include "math_const.h" -#include + #include #include "pair_multi_lucy.h" #include "atom.h" @@ -33,9 +33,9 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "citeme.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-DPD/pair_multi_lucy_rx.cpp b/src/USER-DPD/pair_multi_lucy_rx.cpp index 90f6dc6170..d769d94783 100644 --- a/src/USER-DPD/pair_multi_lucy_rx.cpp +++ b/src/USER-DPD/pair_multi_lucy_rx.cpp @@ -21,10 +21,10 @@ The Journal of Chemical Physics, 2016, 144, 104501. ------------------------------------------------------------------------------------------- */ -#include + #include #include "math_const.h" -#include + #include #include "pair_multi_lucy_rx.h" #include "atom.h" @@ -33,11 +33,11 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "citeme.h" #include "modify.h" #include "fix.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-DPD/pair_table_rx.cpp b/src/USER-DPD/pair_table_rx.cpp index 56c3e28c46..f791107f1d 100644 --- a/src/USER-DPD/pair_table_rx.cpp +++ b/src/USER-DPD/pair_table_rx.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_table_rx.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "error.h" #include "modify.h" #include "fix.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-DRUDE/compute_temp_drude.cpp b/src/USER-DRUDE/compute_temp_drude.cpp index a12c248680..b806b4434b 100644 --- a/src/USER-DRUDE/compute_temp_drude.cpp +++ b/src/USER-DRUDE/compute_temp_drude.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_drude.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-DRUDE/fix_drude.cpp b/src/USER-DRUDE/fix_drude.cpp index 080408459c..313ac249d7 100644 --- a/src/USER-DRUDE/fix_drude.cpp +++ b/src/USER-DRUDE/fix_drude.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_drude.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-DRUDE/fix_drude_transform.cpp b/src/USER-DRUDE/fix_drude_transform.cpp index 4128c508d6..bdccaaebc8 100644 --- a/src/USER-DRUDE/fix_drude_transform.cpp +++ b/src/USER-DRUDE/fix_drude_transform.cpp @@ -13,7 +13,7 @@ /** Fix Drude Transform ******************************************************/ #include "fix_drude_transform.h" -#include + #include #include #include "fix_drude.h" diff --git a/src/USER-DRUDE/fix_langevin_drude.cpp b/src/USER-DRUDE/fix_langevin_drude.cpp index e865e9cd29..da74510821 100644 --- a/src/USER-DRUDE/fix_langevin_drude.cpp +++ b/src/USER-DRUDE/fix_langevin_drude.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_langevin_drude.h" -#include + #include #include #include "fix_drude.h" diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp index 875b4a9cba..461f972885 100644 --- a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp +++ b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_thole_long.h" -#include + #include #include #include "fix_drude.h" @@ -29,7 +29,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "modify.h" #include "domain.h" diff --git a/src/USER-DRUDE/pair_thole.cpp b/src/USER-DRUDE/pair_thole.cpp index 882fd047a9..281317c076 100644 --- a/src/USER-DRUDE/pair_thole.cpp +++ b/src/USER-DRUDE/pair_thole.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_thole.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "fix.h" #include "fix_drude.h" #include "domain.h" diff --git a/src/USER-EFF/compute_ke_atom_eff.cpp b/src/USER-EFF/compute_ke_atom_eff.cpp index c943366f1b..001e1d4c43 100644 --- a/src/USER-EFF/compute_ke_atom_eff.cpp +++ b/src/USER-EFF/compute_ke_atom_eff.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include "compute_ke_atom_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/compute_ke_eff.cpp b/src/USER-EFF/compute_ke_eff.cpp index 3e277fc66c..d1781b75f7 100644 --- a/src/USER-EFF/compute_ke_eff.cpp +++ b/src/USER-EFF/compute_ke_eff.cpp @@ -15,8 +15,8 @@ Contributing author: Andres Jaramillo-Botero ------------------------------------------------------------------------- */ -#include -#include + + #include "compute_ke_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/compute_temp_deform_eff.cpp b/src/USER-EFF/compute_temp_deform_eff.cpp index dcf7e86234..90e25ca3c8 100644 --- a/src/USER-EFF/compute_temp_deform_eff.cpp +++ b/src/USER-EFF/compute_temp_deform_eff.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include + #include -#include + #include "compute_temp_deform_eff.h" #include "domain.h" #include "atom.h" diff --git a/src/USER-EFF/compute_temp_eff.cpp b/src/USER-EFF/compute_temp_eff.cpp index e9295ea680..174f032b83 100644 --- a/src/USER-EFF/compute_temp_eff.cpp +++ b/src/USER-EFF/compute_temp_eff.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include "compute_temp_eff.h" -#include -#include + + #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/USER-EFF/compute_temp_region_eff.cpp b/src/USER-EFF/compute_temp_region_eff.cpp index b27699cde9..c95cf0de2d 100644 --- a/src/USER-EFF/compute_temp_region_eff.cpp +++ b/src/USER-EFF/compute_temp_region_eff.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include + #include -#include + #include "compute_temp_region_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/fix_langevin_eff.cpp b/src/USER-EFF/fix_langevin_eff.cpp index 5158d7c681..3966bc7b98 100644 --- a/src/USER-EFF/fix_langevin_eff.cpp +++ b/src/USER-EFF/fix_langevin_eff.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero ------------------------------------------------------------------------- */ -#include + #include -#include + #include "fix_langevin_eff.h" #include "atom.h" #include "update.h" diff --git a/src/USER-EFF/fix_nh_eff.cpp b/src/USER-EFF/fix_nh_eff.cpp index 034233732e..9fdbc6a0bf 100644 --- a/src/USER-EFF/fix_nh_eff.cpp +++ b/src/USER-EFF/fix_nh_eff.cpp @@ -15,7 +15,7 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include + #include "fix_nh_eff.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/USER-EFF/fix_nve_eff.cpp b/src/USER-EFF/fix_nve_eff.cpp index ea719c91c0..f32a45fd46 100644 --- a/src/USER-EFF/fix_nve_eff.cpp +++ b/src/USER-EFF/fix_nve_eff.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include "fix_nve_eff.h" #include "atom.h" #include "force.h" diff --git a/src/USER-EFF/fix_nvt_sllod_eff.cpp b/src/USER-EFF/fix_nvt_sllod_eff.cpp index 0ebbf04d64..02a463b3ba 100644 --- a/src/USER-EFF/fix_nvt_sllod_eff.cpp +++ b/src/USER-EFF/fix_nvt_sllod_eff.cpp @@ -13,7 +13,7 @@ #include #include -#include + #include "fix_nvt_sllod_eff.h" #include "math_extra.h" #include "atom.h" diff --git a/src/USER-EFF/fix_temp_rescale_eff.cpp b/src/USER-EFF/fix_temp_rescale_eff.cpp index e2163990bd..a013270049 100644 --- a/src/USER-EFF/fix_temp_rescale_eff.cpp +++ b/src/USER-EFF/fix_temp_rescale_eff.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "fix_temp_rescale_eff.h" #include "atom.h" diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp index b9b442ed2a..f4e7af6584 100644 --- a/src/USER-EFF/pair_eff_cut.cpp +++ b/src/USER-EFF/pair_eff_cut.cpp @@ -15,9 +15,9 @@ Contributing author: Andres Jaramillo-Botero ------------------------------------------------------------------------- */ -#include + #include -#include + #include #include "pair_eff_cut.h" #include "pair_eff_inline.h" @@ -31,7 +31,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-FEP/compute_fep.cpp b/src/USER-FEP/compute_fep.cpp index 488a85fc20..ff1e303a30 100644 --- a/src/USER-FEP/compute_fep.cpp +++ b/src/USER-FEP/compute_fep.cpp @@ -18,7 +18,7 @@ #include "compute_fep.h" #include #include -#include + #include "comm.h" #include "update.h" #include "atom.h" @@ -34,7 +34,7 @@ #include "timer.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-FEP/fix_adapt_fep.cpp b/src/USER-FEP/fix_adapt_fep.cpp index f88f2b6c40..2f97b5a0e3 100644 --- a/src/USER-FEP/fix_adapt_fep.cpp +++ b/src/USER-FEP/fix_adapt_fep.cpp @@ -32,7 +32,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp index fd5141525c..b0a099a56f 100644 --- a/src/USER-FEP/pair_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_coul_cut_soft.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_cut_soft.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-FEP/pair_coul_long_soft.cpp b/src/USER-FEP/pair_coul_long_soft.cpp index 39e06ddd60..80173f3f0f 100644 --- a/src/USER-FEP/pair_coul_long_soft.cpp +++ b/src/USER-FEP/pair_coul_long_soft.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_long_soft.h" -#include + #include #include #include "atom.h" @@ -28,7 +28,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp index f9149c8fb8..e13b98329f 100644 --- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_charmm_coul_long_soft.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp index f1aa99b416..bfd5a630f6 100644 --- a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2_coul_cut_soft.h" -#include + #include #include #include "atom.h" @@ -23,7 +23,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp index 19c41f04cb..e027a30185 100644 --- a/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2_coul_long_soft.h" -#include + #include #include #include "atom.h" @@ -24,7 +24,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-FEP/pair_lj_class2_soft.cpp b/src/USER-FEP/pair_lj_class2_soft.cpp index 3c1869da08..0cd1fc9e87 100644 --- a/src/USER-FEP/pair_lj_class2_soft.cpp +++ b/src/USER-FEP/pair_lj_class2_soft.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2_soft.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp index 4a92a6fcef..a18256f98a 100644 --- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_cut_soft.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp index 56cf31b9d3..4b3fae77b3 100644 --- a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_long_soft.h" -#include + #include #include #include "atom.h" @@ -32,7 +32,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp index 2ab677c454..786715d6c9 100644 --- a/src/USER-FEP/pair_lj_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_soft.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_soft.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp index 35342f68d8..18f8db5021 100644 --- a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_tip4p_long_soft.h" -#include + #include #include #include "angle.h" @@ -31,7 +31,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-FEP/pair_morse_soft.cpp b/src/USER-FEP/pair_morse_soft.cpp index 904799e1d3..85a30a5414 100644 --- a/src/USER-FEP/pair_morse_soft.cpp +++ b/src/USER-FEP/pair_morse_soft.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_morse_soft.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "memory.h" #include "math_special.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/USER-FEP/pair_tip4p_long_soft.cpp b/src/USER-FEP/pair_tip4p_long_soft.cpp index fa130a9dc6..9578befd37 100644 --- a/src/USER-FEP/pair_tip4p_long_soft.cpp +++ b/src/USER-FEP/pair_tip4p_long_soft.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_tip4p_long_soft.h" -#include + #include #include #include "angle.h" @@ -31,7 +31,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-H5MD/dump_h5md.cpp b/src/USER-H5MD/dump_h5md.cpp index 0c07e844cb..e9daf71867 100644 --- a/src/USER-H5MD/dump_h5md.cpp +++ b/src/USER-H5MD/dump_h5md.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include #include "ch5md.h" diff --git a/src/USER-INTEL/angle_charmm_intel.cpp b/src/USER-INTEL/angle_charmm_intel.cpp index 9275e82f1c..b6e0b0dac5 100644 --- a/src/USER-INTEL/angle_charmm_intel.cpp +++ b/src/USER-INTEL/angle_charmm_intel.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include -#include + #include "angle_charmm_intel.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/angle_harmonic_intel.cpp b/src/USER-INTEL/angle_harmonic_intel.cpp index 49a71038da..6d3deee9ba 100644 --- a/src/USER-INTEL/angle_harmonic_intel.cpp +++ b/src/USER-INTEL/angle_harmonic_intel.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include -#include + #include "angle_harmonic_intel.h" #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/bond_fene_intel.cpp b/src/USER-INTEL/bond_fene_intel.cpp index 5c58e7bf10..072800db42 100644 --- a/src/USER-INTEL/bond_fene_intel.cpp +++ b/src/USER-INTEL/bond_fene_intel.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include -#include + #include "bond_fene_intel.h" #include "atom.h" #include "modify.h" diff --git a/src/USER-INTEL/bond_harmonic_intel.cpp b/src/USER-INTEL/bond_harmonic_intel.cpp index 8bf0a82218..1ddb424a7b 100644 --- a/src/USER-INTEL/bond_harmonic_intel.cpp +++ b/src/USER-INTEL/bond_harmonic_intel.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include -#include + #include "bond_harmonic_intel.h" #include "atom.h" #include "modify.h" diff --git a/src/USER-INTEL/dihedral_charmm_intel.cpp b/src/USER-INTEL/dihedral_charmm_intel.cpp index 61fc1dfbd5..ddfa0c1228 100644 --- a/src/USER-INTEL/dihedral_charmm_intel.cpp +++ b/src/USER-INTEL/dihedral_charmm_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "omp_compat.h" -#include + #include #include "dihedral_charmm_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/dihedral_fourier_intel.cpp b/src/USER-INTEL/dihedral_fourier_intel.cpp index fb8051474e..cd62012255 100644 --- a/src/USER-INTEL/dihedral_fourier_intel.cpp +++ b/src/USER-INTEL/dihedral_fourier_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "omp_compat.h" -#include + #include #include "dihedral_fourier_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/dihedral_harmonic_intel.cpp b/src/USER-INTEL/dihedral_harmonic_intel.cpp index f6c4ea0fde..dd8c3d98db 100644 --- a/src/USER-INTEL/dihedral_harmonic_intel.cpp +++ b/src/USER-INTEL/dihedral_harmonic_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "omp_compat.h" -#include + #include #include "dihedral_harmonic_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/dihedral_opls_intel.cpp b/src/USER-INTEL/dihedral_opls_intel.cpp index 79a8874a72..ef48f7e8ee 100644 --- a/src/USER-INTEL/dihedral_opls_intel.cpp +++ b/src/USER-INTEL/dihedral_opls_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "omp_compat.h" -#include + #include #include "dihedral_opls_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp index 7bd510b189..b3649be7c8 100644 --- a/src/USER-INTEL/fix_intel.cpp +++ b/src/USER-INTEL/fix_intel.cpp @@ -29,10 +29,10 @@ #include "timer.h" #include "universe.h" #include "update.h" -#include "utils.h" + #include -#include + #include #include diff --git a/src/USER-INTEL/improper_cvff_intel.cpp b/src/USER-INTEL/improper_cvff_intel.cpp index 4562c63cdb..4dcdb34b69 100644 --- a/src/USER-INTEL/improper_cvff_intel.cpp +++ b/src/USER-INTEL/improper_cvff_intel.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "omp_compat.h" -#include + #include -#include + #include "improper_cvff_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/improper_harmonic_intel.cpp b/src/USER-INTEL/improper_harmonic_intel.cpp index fc5cf08c52..c63dfc9567 100644 --- a/src/USER-INTEL/improper_harmonic_intel.cpp +++ b/src/USER-INTEL/improper_harmonic_intel.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "omp_compat.h" -#include + #include -#include + #include "improper_harmonic_intel.h" #include "atom.h" #include "comm.h" diff --git a/src/USER-INTEL/pair_airebo_intel.cpp b/src/USER-INTEL/pair_airebo_intel.cpp index c1e4a5374a..8b7ff71603 100644 --- a/src/USER-INTEL/pair_airebo_intel.cpp +++ b/src/USER-INTEL/pair_airebo_intel.cpp @@ -19,7 +19,7 @@ #pragma offload_attribute(push, target(mic)) #endif #include -#include + #include #include #include diff --git a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp index 4ad4398fbe..a67db0ad32 100644 --- a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp +++ b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_buck_coul_cut_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/pair_buck_coul_long_intel.cpp b/src/USER-INTEL/pair_buck_coul_long_intel.cpp index 150cfd3ee0..d0cb1837c9 100644 --- a/src/USER-INTEL/pair_buck_coul_long_intel.cpp +++ b/src/USER-INTEL/pair_buck_coul_long_intel.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_buck_coul_long_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/pair_eam_alloy_intel.cpp b/src/USER-INTEL/pair_eam_alloy_intel.cpp index 31430e4bf7..b979d2dcdf 100644 --- a/src/USER-INTEL/pair_eam_alloy_intel.cpp +++ b/src/USER-INTEL/pair_eam_alloy_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "pair_eam_alloy_intel.h" #include "atom.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/USER-INTEL/pair_eam_fs_intel.cpp b/src/USER-INTEL/pair_eam_fs_intel.cpp index c5804922f6..a1c71d9c21 100644 --- a/src/USER-INTEL/pair_eam_fs_intel.cpp +++ b/src/USER-INTEL/pair_eam_fs_intel.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "pair_eam_fs_intel.h" #include "atom.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/USER-INTEL/pair_eam_intel.cpp b/src/USER-INTEL/pair_eam_intel.cpp index 994f0d3910..d27a019532 100644 --- a/src/USER-INTEL/pair_eam_intel.cpp +++ b/src/USER-INTEL/pair_eam_intel.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_eam_intel.h" #include "atom.h" diff --git a/src/USER-INTEL/pair_sw_intel.cpp b/src/USER-INTEL/pair_sw_intel.cpp index 32afcbf8a9..b8ac84bc3c 100644 --- a/src/USER-INTEL/pair_sw_intel.cpp +++ b/src/USER-INTEL/pair_sw_intel.cpp @@ -26,7 +26,7 @@ #endif #include -#include + #include #include "atom.h" #include "neighbor.h" diff --git a/src/USER-INTEL/pair_tersoff_intel.cpp b/src/USER-INTEL/pair_tersoff_intel.cpp index 8784029320..75f5f85f2d 100644 --- a/src/USER-INTEL/pair_tersoff_intel.cpp +++ b/src/USER-INTEL/pair_tersoff_intel.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_tersoff_intel.h" #include "atom.h" diff --git a/src/USER-LB/fix_lb_fluid.cpp b/src/USER-LB/fix_lb_fluid.cpp index 8ad3dbe33e..204a9c073b 100644 --- a/src/USER-LB/fix_lb_fluid.cpp +++ b/src/USER-LB/fix_lb_fluid.cpp @@ -18,8 +18,8 @@ #include "fix_lb_fluid.h" #include -#include -#include + + #include #include #include diff --git a/src/USER-LB/fix_lb_momentum.cpp b/src/USER-LB/fix_lb_momentum.cpp index 10fffed018..0a307790d5 100644 --- a/src/USER-LB/fix_lb_momentum.cpp +++ b/src/USER-LB/fix_lb_momentum.cpp @@ -19,8 +19,8 @@ ------------------------------------------------------------------------- */ #include "fix_lb_momentum.h" -#include -#include + + #include #include "atom.h" #include "group.h" diff --git a/src/USER-LB/fix_lb_pc.cpp b/src/USER-LB/fix_lb_pc.cpp index d61692419a..2c7e8dbf47 100644 --- a/src/USER-LB/fix_lb_pc.cpp +++ b/src/USER-LB/fix_lb_pc.cpp @@ -26,7 +26,7 @@ #include "domain.h" #include "fix_lb_fluid.h" #include "modify.h" -#include + #include "group.h" using namespace LAMMPS_NS; diff --git a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp index 9cc03591fa..f714e31719 100644 --- a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp +++ b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp @@ -17,9 +17,9 @@ ------------------------------------------------------------------------- */ #include "fix_lb_rigid_pc_sphere.h" -#include + #include -#include + #include #include "atom.h" #include "domain.h" @@ -31,7 +31,7 @@ #include "memory.h" #include "error.h" #include "fix_lb_fluid.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MANIFOLD/fix_manifoldforce.cpp b/src/USER-MANIFOLD/fix_manifoldforce.cpp index 41074903bd..b016dd8ecb 100644 --- a/src/USER-MANIFOLD/fix_manifoldforce.cpp +++ b/src/USER-MANIFOLD/fix_manifoldforce.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_manifoldforce.h" // For stuff -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp index 2baa2944ae..b3122a68d4 100644 --- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp +++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp @@ -33,7 +33,7 @@ #include "fix_nve_manifold_rattle.h" -#include + #include #include "atom.h" #include "force.h" diff --git a/src/USER-MEAMC/pair_meamc.cpp b/src/USER-MEAMC/pair_meamc.cpp index f40df56c19..6f674c9f45 100644 --- a/src/USER-MEAMC/pair_meamc.cpp +++ b/src/USER-MEAMC/pair_meamc.cpp @@ -16,10 +16,10 @@ ------------------------------------------------------------------------- */ #include "pair_meamc.h" -#include -#include + + #include -#include + #include "meam.h" #include "atom.h" #include "force.h" @@ -29,8 +29,8 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; diff --git a/src/USER-MEAMC/pair_meamc.h b/src/USER-MEAMC/pair_meamc.h index 21e44e7ff2..9cbda8f6ad 100644 --- a/src/USER-MEAMC/pair_meamc.h +++ b/src/USER-MEAMC/pair_meamc.h @@ -22,7 +22,7 @@ PairStyle(meam,PairMEAMC) #define LMP_PAIR_MEAMC_H #include "pair.h" -#include + namespace LAMMPS_NS { diff --git a/src/USER-MESODPD/atom_vec_edpd.cpp b/src/USER-MESODPD/atom_vec_edpd.cpp index d08a626fad..c3fae823ea 100644 --- a/src/USER-MESODPD/atom_vec_edpd.cpp +++ b/src/USER-MESODPD/atom_vec_edpd.cpp @@ -21,7 +21,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MESODPD/atom_vec_tdpd.cpp b/src/USER-MESODPD/atom_vec_tdpd.cpp index f50fe168d6..63b88f921d 100644 --- a/src/USER-MESODPD/atom_vec_tdpd.cpp +++ b/src/USER-MESODPD/atom_vec_tdpd.cpp @@ -16,7 +16,7 @@ #include "atom.h" #include "update.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MESODPD/pair_edpd.cpp b/src/USER-MESODPD/pair_edpd.cpp index 60a437a47c..9c2e74b882 100644 --- a/src/USER-MESODPD/pair_edpd.cpp +++ b/src/USER-MESODPD/pair_edpd.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_edpd.h" -#include + #include #include #include @@ -31,7 +31,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MESODPD/pair_mdpd.cpp b/src/USER-MESODPD/pair_mdpd.cpp index 755008f443..88b6724a03 100644 --- a/src/USER-MESODPD/pair_mdpd.cpp +++ b/src/USER-MESODPD/pair_mdpd.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_mdpd.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MESODPD/pair_mdpd_rhosum.cpp b/src/USER-MESODPD/pair_mdpd_rhosum.cpp index bfbc6f7c82..def61dea8f 100644 --- a/src/USER-MESODPD/pair_mdpd_rhosum.cpp +++ b/src/USER-MESODPD/pair_mdpd_rhosum.cpp @@ -29,7 +29,7 @@ #include "memory.h" #include "error.h" #include "neighbor.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MESODPD/pair_tdpd.cpp b/src/USER-MESODPD/pair_tdpd.cpp index face9221d9..65a518c07e 100644 --- a/src/USER-MESODPD/pair_tdpd.cpp +++ b/src/USER-MESODPD/pair_tdpd.cpp @@ -29,7 +29,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MESONT/compute_mesont.cpp b/src/USER-MESONT/compute_mesont.cpp index 397b071a1b..96792c8988 100644 --- a/src/USER-MESONT/compute_mesont.cpp +++ b/src/USER-MESONT/compute_mesont.cpp @@ -23,7 +23,7 @@ #include "memory.h" #include "error.h" #include "pair.h" -#include + using namespace LAMMPS_NS; diff --git a/src/USER-MESONT/pair_mesocnt.cpp b/src/USER-MESONT/pair_mesocnt.cpp index 4af8a99d6f..96d53bd41a 100644 --- a/src/USER-MESONT/pair_mesocnt.cpp +++ b/src/USER-MESONT/pair_mesocnt.cpp @@ -20,9 +20,9 @@ #include #include -#include + #include -#include + #include "atom.h" #include "comm.h" @@ -33,8 +33,8 @@ #include "memory.h" #include "error.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + + #include "math_const.h" #include "math_extra.h" diff --git a/src/USER-MESONT/pair_mesont_tpm.cpp b/src/USER-MESONT/pair_mesont_tpm.cpp index 9fb0f604c8..6d8c8126ae 100644 --- a/src/USER-MESONT/pair_mesont_tpm.cpp +++ b/src/USER-MESONT/pair_mesont_tpm.cpp @@ -16,7 +16,7 @@ #include "pair_mesont_tpm.h" #include "export_mesont.h" -#include + #include "atom.h" #include "comm.h" #include "force.h" @@ -29,7 +29,7 @@ #include #include #include -#include + #include #include #include diff --git a/src/USER-MGPT/pair_mgpt.cpp b/src/USER-MGPT/pair_mgpt.cpp index e7ab62608a..070e3cb61e 100644 --- a/src/USER-MGPT/pair_mgpt.cpp +++ b/src/USER-MGPT/pair_mgpt.cpp @@ -22,9 +22,9 @@ ------------------------------------------------------------------------- */ #include "pair_mgpt.h" -#include + #include -#include + #include #include diff --git a/src/USER-MISC/angle_cosine_shift.cpp b/src/USER-MISC/angle_cosine_shift.cpp index 2ed1a85672..a986cb8322 100644 --- a/src/USER-MISC/angle_cosine_shift.cpp +++ b/src/USER-MISC/angle_cosine_shift.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_cosine_shift.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/angle_cosine_shift_exp.cpp b/src/USER-MISC/angle_cosine_shift_exp.cpp index fb1cc0a4e6..52bfe751f1 100644 --- a/src/USER-MISC/angle_cosine_shift_exp.cpp +++ b/src/USER-MISC/angle_cosine_shift_exp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_cosine_shift_exp.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/angle_dipole.cpp b/src/USER-MISC/angle_dipole.cpp index 6e449fe472..336638f25d 100644 --- a/src/USER-MISC/angle_dipole.cpp +++ b/src/USER-MISC/angle_dipole.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_dipole.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/angle_fourier.cpp b/src/USER-MISC/angle_fourier.cpp index 5f34be8d65..907ee973bd 100644 --- a/src/USER-MISC/angle_fourier.cpp +++ b/src/USER-MISC/angle_fourier.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "angle_fourier.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/angle_fourier_simple.cpp b/src/USER-MISC/angle_fourier_simple.cpp index cddc07da90..8894f7b4c9 100644 --- a/src/USER-MISC/angle_fourier_simple.cpp +++ b/src/USER-MISC/angle_fourier_simple.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "angle_fourier_simple.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/angle_quartic.cpp b/src/USER-MISC/angle_quartic.cpp index c84739ac91..93f45f9562 100644 --- a/src/USER-MISC/angle_quartic.cpp +++ b/src/USER-MISC/angle_quartic.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "angle_quartic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/bond_harmonic_shift.cpp b/src/USER-MISC/bond_harmonic_shift.cpp index dd2c1a1524..5889400b97 100644 --- a/src/USER-MISC/bond_harmonic_shift.cpp +++ b/src/USER-MISC/bond_harmonic_shift.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "bond_harmonic_shift.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/bond_harmonic_shift_cut.cpp b/src/USER-MISC/bond_harmonic_shift_cut.cpp index 2cbfa01c0a..86e6263f93 100644 --- a/src/USER-MISC/bond_harmonic_shift_cut.cpp +++ b/src/USER-MISC/bond_harmonic_shift_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "bond_harmonic_shift_cut.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/bond_special.cpp b/src/USER-MISC/bond_special.cpp index ebbdcb1899..a956468497 100644 --- a/src/USER-MISC/bond_special.cpp +++ b/src/USER-MISC/bond_special.cpp @@ -14,7 +14,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "bond_special.h" #include "atom.h" @@ -25,7 +25,7 @@ #include "pair.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/compute_cnp_atom.cpp b/src/USER-MISC/compute_cnp_atom.cpp index fdce944034..52656ec9d6 100644 --- a/src/USER-MISC/compute_cnp_atom.cpp +++ b/src/USER-MISC/compute_cnp_atom.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "compute_cnp_atom.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-MISC/compute_hma.cpp b/src/USER-MISC/compute_hma.cpp index ccecf43aaf..02c697a786 100644 --- a/src/USER-MISC/compute_hma.cpp +++ b/src/USER-MISC/compute_hma.cpp @@ -45,7 +45,7 @@ https://doi.org/10.1103/PhysRevE.92.043303 #include #include -#include + #include "compute_hma.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/compute_momentum.cpp b/src/USER-MISC/compute_momentum.cpp index 541b52d9c0..f1c35993e3 100644 --- a/src/USER-MISC/compute_momentum.cpp +++ b/src/USER-MISC/compute_momentum.cpp @@ -1,6 +1,6 @@ #include "compute_momentum.h" -#include + #include "atom.h" #include "error.h" #include "update.h" diff --git a/src/USER-MISC/compute_pressure_cylinder.cpp b/src/USER-MISC/compute_pressure_cylinder.cpp index 8346bd3410..6cf375dd19 100644 --- a/src/USER-MISC/compute_pressure_cylinder.cpp +++ b/src/USER-MISC/compute_pressure_cylinder.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pressure_cylinder.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/compute_stress_mop.cpp b/src/USER-MISC/compute_stress_mop.cpp index 1e42a9df02..c733c929ba 100644 --- a/src/USER-MISC/compute_stress_mop.cpp +++ b/src/USER-MISC/compute_stress_mop.cpp @@ -16,7 +16,7 @@ --------------------------------------------------------------------------*/ #include "compute_stress_mop.h" -#include + #include #include diff --git a/src/USER-MISC/compute_stress_mop_profile.cpp b/src/USER-MISC/compute_stress_mop_profile.cpp index 022840166f..323aee851e 100644 --- a/src/USER-MISC/compute_stress_mop_profile.cpp +++ b/src/USER-MISC/compute_stress_mop_profile.cpp @@ -16,7 +16,7 @@ --------------------------------------------------------------------------*/ #include "compute_stress_mop_profile.h" -#include + #include #include diff --git a/src/USER-MISC/compute_temp_rotate.cpp b/src/USER-MISC/compute_temp_rotate.cpp index 94c6115186..c333357a93 100644 --- a/src/USER-MISC/compute_temp_rotate.cpp +++ b/src/USER-MISC/compute_temp_rotate.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_rotate.h" -#include + #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/USER-MISC/compute_viscosity_cos.cpp b/src/USER-MISC/compute_viscosity_cos.cpp index 7311f991cc..12e1991d54 100644 --- a/src/USER-MISC/compute_viscosity_cos.cpp +++ b/src/USER-MISC/compute_viscosity_cos.cpp @@ -15,7 +15,7 @@ Contributing author: Zheng GONG (ENS de Lyon, z.gong@outlook.com) ------------------------------------------------------------------------- */ -#include + #include "compute_viscosity_cos.h" #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.cpp b/src/USER-MISC/dihedral_cosine_shift_exp.cpp index 1b3afb13eb..7c131682fa 100644 --- a/src/USER-MISC/dihedral_cosine_shift_exp.cpp +++ b/src/USER-MISC/dihedral_cosine_shift_exp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_cosine_shift_exp.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "memory.h" #include "math_const.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/dihedral_fourier.cpp b/src/USER-MISC/dihedral_fourier.cpp index e897e58649..066447f92d 100644 --- a/src/USER-MISC/dihedral_fourier.cpp +++ b/src/USER-MISC/dihedral_fourier.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_fourier.h" -#include + #include #include "atom.h" #include "comm.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/dihedral_nharmonic.cpp b/src/USER-MISC/dihedral_nharmonic.cpp index 0ff62320e4..bde8d84070 100644 --- a/src/USER-MISC/dihedral_nharmonic.cpp +++ b/src/USER-MISC/dihedral_nharmonic.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_nharmonic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/dihedral_quadratic.cpp b/src/USER-MISC/dihedral_quadratic.cpp index d91c237838..deafc8391f 100644 --- a/src/USER-MISC/dihedral_quadratic.cpp +++ b/src/USER-MISC/dihedral_quadratic.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_quadratic.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -27,7 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/dihedral_spherical.cpp b/src/USER-MISC/dihedral_spherical.cpp index 1cfb756127..a33452dbe1 100644 --- a/src/USER-MISC/dihedral_spherical.cpp +++ b/src/USER-MISC/dihedral_spherical.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_spherical.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "math_extra.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-MISC/dihedral_table.cpp b/src/USER-MISC/dihedral_table.cpp index 37410ba085..aebe468905 100644 --- a/src/USER-MISC/dihedral_table.cpp +++ b/src/USER-MISC/dihedral_table.cpp @@ -17,12 +17,12 @@ the "tridiag.c" written by Gerard Jungman for GSL ------------------------------------------------------------------------- */ -#include + #include #include -#include + #include -#include + #include // IWYU pragma: keep #include // IWYU pragma: keep @@ -33,12 +33,12 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "dihedral_table.h" -#include "utils.h" + #include "tokenizer.h" #include "table_file_reader.h" -#include "fmt/format.h" + #include "math_const.h" #include "math_extra.h" diff --git a/src/USER-MISC/dihedral_table.h b/src/USER-MISC/dihedral_table.h index 8a397b20f2..a8d1f8f8bb 100644 --- a/src/USER-MISC/dihedral_table.h +++ b/src/USER-MISC/dihedral_table.h @@ -24,7 +24,7 @@ DihedralStyle(table,DihedralTable) #ifndef LMP_DIHEDRAL_TABLE_H #define LMP_DIHEDRAL_TABLE_H #include "dihedral.h" -#include + namespace LAMMPS_NS { diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/USER-MISC/dihedral_table_cut.cpp index 2a5b46a4f1..f8a2f02596 100644 --- a/src/USER-MISC/dihedral_table_cut.cpp +++ b/src/USER-MISC/dihedral_table_cut.cpp @@ -17,12 +17,12 @@ ------------------------------------------------------------------------- */ #include "dihedral_table_cut.h" -#include + #include #include -#include + #include -#include + #include // IWYU pragma: keep #include // IWYU pragma: keep @@ -35,7 +35,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/fix_addtorque.cpp b/src/USER-MISC/fix_addtorque.cpp index 4583d76e09..ed796280e7 100644 --- a/src/USER-MISC/fix_addtorque.cpp +++ b/src/USER-MISC/fix_addtorque.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_addtorque.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/fix_ave_correlate_long.cpp b/src/USER-MISC/fix_ave_correlate_long.cpp index abfa751d15..1f2022d520 100644 --- a/src/USER-MISC/fix_ave_correlate_long.cpp +++ b/src/USER-MISC/fix_ave_correlate_long.cpp @@ -22,9 +22,9 @@ ------------------------------------------------------------------------- */ #include "fix_ave_correlate_long.h" -#include + #include -#include + #include #include #include "update.h" diff --git a/src/USER-MISC/fix_ffl.cpp b/src/USER-MISC/fix_ffl.cpp index 4460c55183..fb111c1f27 100644 --- a/src/USER-MISC/fix_ffl.cpp +++ b/src/USER-MISC/fix_ffl.cpp @@ -22,7 +22,7 @@ ------------------------------------------------------------------------- */ #include "fix_ffl.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-MISC/fix_filter_corotate.cpp b/src/USER-MISC/fix_filter_corotate.cpp index 18fd784861..86650cd50d 100644 --- a/src/USER-MISC/fix_filter_corotate.cpp +++ b/src/USER-MISC/fix_filter_corotate.cpp @@ -17,11 +17,11 @@ ------------------------------------------------------------------------- */ #include "fix_filter_corotate.h" -#include + #include #include #include -#include + #include "atom.h" #include "atom_vec.h" #include "comm.h" diff --git a/src/USER-MISC/fix_flow_gauss.cpp b/src/USER-MISC/fix_flow_gauss.cpp index 2463e18b40..23e61641d8 100644 --- a/src/USER-MISC/fix_flow_gauss.cpp +++ b/src/USER-MISC/fix_flow_gauss.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_flow_gauss.h" -#include + #include #include "atom.h" #include "force.h" diff --git a/src/USER-MISC/fix_gle.cpp b/src/USER-MISC/fix_gle.cpp index 30e62c7eb9..f4776c3d6c 100644 --- a/src/USER-MISC/fix_gle.cpp +++ b/src/USER-MISC/fix_gle.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include "fix_gle.h" -#include + #include #include -#include + #include "atom.h" #include "force.h" #include "update.h" @@ -29,7 +29,7 @@ #include "random_mars.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_imd.cpp b/src/USER-MISC/fix_imd.cpp index af4a517269..4264126c26 100644 --- a/src/USER-MISC/fix_imd.cpp +++ b/src/USER-MISC/fix_imd.cpp @@ -58,7 +58,7 @@ negotiate an appropriate license for such distribution." #include "group.h" #include "memory.h" -#include + #include #if defined(_MSC_VER) || defined(__MINGW32__) diff --git a/src/USER-MISC/fix_ipi.cpp b/src/USER-MISC/fix_ipi.cpp index b1d07eef41..b8045a9ff1 100644 --- a/src/USER-MISC/fix_ipi.cpp +++ b/src/USER-MISC/fix_ipi.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_ipi.h" -#include + #include #include "atom.h" #include "force.h" @@ -45,7 +45,7 @@ using namespace FixConst; // socket interface #ifndef _WIN32 -#include + #include #include #include diff --git a/src/USER-MISC/fix_momentum_chunk.cpp b/src/USER-MISC/fix_momentum_chunk.cpp index 0ed5e1f877..3df632eb30 100644 --- a/src/USER-MISC/fix_momentum_chunk.cpp +++ b/src/USER-MISC/fix_momentum_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_momentum_chunk.h" -#include + #include #include #include "atom.h" @@ -24,7 +24,7 @@ #include "error.h" #include "force.h" #include "modify.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_momentum_chunk.h b/src/USER-MISC/fix_momentum_chunk.h index 5e056f2494..5007e38c69 100644 --- a/src/USER-MISC/fix_momentum_chunk.h +++ b/src/USER-MISC/fix_momentum_chunk.h @@ -21,7 +21,7 @@ FixStyle(momentum/chunk,FixMomentumChunk) #define LMP_FIX_MOMENTUM_CHUNK_H #include "fix.h" -#include + namespace LAMMPS_NS { diff --git a/src/USER-MISC/fix_npt_cauchy.cpp b/src/USER-MISC/fix_npt_cauchy.cpp index 221886d388..9361d9ebd6 100644 --- a/src/USER-MISC/fix_npt_cauchy.cpp +++ b/src/USER-MISC/fix_npt_cauchy.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "fix_npt_cauchy.h" #include "math_extra.h" diff --git a/src/USER-MISC/fix_nvk.cpp b/src/USER-MISC/fix_nvk.cpp index 410a269f8c..f0fbddf18d 100644 --- a/src/USER-MISC/fix_nvk.cpp +++ b/src/USER-MISC/fix_nvk.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_nvk.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-MISC/fix_orient_eco.cpp b/src/USER-MISC/fix_orient_eco.cpp index 4e97cac3f9..a9abf7baf7 100644 --- a/src/USER-MISC/fix_orient_eco.cpp +++ b/src/USER-MISC/fix_orient_eco.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_orient_eco.h" -#include + #include #include #include "atom.h" @@ -33,8 +33,8 @@ #include "pair.h" #include "respa.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_pafi.cpp b/src/USER-MISC/fix_pafi.cpp index 33407aec44..222369f572 100644 --- a/src/USER-MISC/fix_pafi.cpp +++ b/src/USER-MISC/fix_pafi.cpp @@ -19,10 +19,10 @@ #include "fix_pafi.h" -#include + #include #include -#include + #include "math_extra.h" #include "atom.h" #include "force.h" @@ -35,9 +35,9 @@ #include "random_mars.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "citeme.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/fix_pimd.cpp b/src/USER-MISC/fix_pimd.cpp index 8de31f19b3..5be9bf162b 100644 --- a/src/USER-MISC/fix_pimd.cpp +++ b/src/USER-MISC/fix_pimd.cpp @@ -22,10 +22,10 @@ ------------------------------------------------------------------------- */ #include "fix_pimd.h" -#include + #include #include -#include + #include "universe.h" #include "comm.h" #include "force.h" diff --git a/src/USER-MISC/fix_propel_self.cpp b/src/USER-MISC/fix_propel_self.cpp index 0a40177993..b17ee55f94 100644 --- a/src/USER-MISC/fix_propel_self.cpp +++ b/src/USER-MISC/fix_propel_self.cpp @@ -21,7 +21,7 @@ #include #include -#include + #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/USER-MISC/fix_rhok.cpp b/src/USER-MISC/fix_rhok.cpp index 612352aae1..0771122bfd 100644 --- a/src/USER-MISC/fix_rhok.cpp +++ b/src/USER-MISC/fix_rhok.cpp @@ -14,7 +14,7 @@ ------------------------------------------------------------------------- */ #include "fix_rhok.h" -#include + #include #include diff --git a/src/USER-MISC/fix_smd.cpp b/src/USER-MISC/fix_smd.cpp index d110637b3c..baee8a5699 100644 --- a/src/USER-MISC/fix_smd.cpp +++ b/src/USER-MISC/fix_smd.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_smd.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-MISC/fix_srp.cpp b/src/USER-MISC/fix_srp.cpp index d61e7f1ee1..1bd6957997 100644 --- a/src/USER-MISC/fix_srp.cpp +++ b/src/USER-MISC/fix_srp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_srp.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-MISC/fix_ti_spring.cpp b/src/USER-MISC/fix_ti_spring.cpp index ef7c4c0296..34c667a9e2 100644 --- a/src/USER-MISC/fix_ti_spring.cpp +++ b/src/USER-MISC/fix_ti_spring.cpp @@ -19,7 +19,7 @@ ------------------------------------------------------------------------- */ #include "fix_ti_spring.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-MISC/fix_ttm_mod.cpp b/src/USER-MISC/fix_ttm_mod.cpp index 8c37b19e8b..c12019528c 100644 --- a/src/USER-MISC/fix_ttm_mod.cpp +++ b/src/USER-MISC/fix_ttm_mod.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "fix_ttm_mod.h" -#include + #include #include #include "atom.h" @@ -32,8 +32,8 @@ #include "error.h" #include "citeme.h" #include "math_const.h" -#include "utils.h" -#include "fmt/format.h" + + #include "tokenizer.h" using namespace LAMMPS_NS; diff --git a/src/USER-MISC/fix_wall_reflect_stochastic.cpp b/src/USER-MISC/fix_wall_reflect_stochastic.cpp index 8afc506804..7da818732e 100644 --- a/src/USER-MISC/fix_wall_reflect_stochastic.cpp +++ b/src/USER-MISC/fix_wall_reflect_stochastic.cpp @@ -18,7 +18,7 @@ #include "fix_wall_reflect_stochastic.h" #include -#include + #include "atom.h" #include "comm.h" #include "update.h" diff --git a/src/USER-MISC/fix_wall_region_ees.cpp b/src/USER-MISC/fix_wall_region_ees.cpp index 3a8323d58d..a8d6ea9424 100644 --- a/src/USER-MISC/fix_wall_region_ees.cpp +++ b/src/USER-MISC/fix_wall_region_ees.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_wall_region_ees.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-MISC/improper_cossq.cpp b/src/USER-MISC/improper_cossq.cpp index 09cf7cf2c6..5714931215 100644 --- a/src/USER-MISC/improper_cossq.cpp +++ b/src/USER-MISC/improper_cossq.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "improper_cossq.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "math_const.h" using namespace LAMMPS_NS; diff --git a/src/USER-MISC/improper_distance.cpp b/src/USER-MISC/improper_distance.cpp index 8ea58b23b3..476cf8ab43 100644 --- a/src/USER-MISC/improper_distance.cpp +++ b/src/USER-MISC/improper_distance.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "improper_distance.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/improper_fourier.cpp b/src/USER-MISC/improper_fourier.cpp index 3bdbc7bc68..85f7809a02 100644 --- a/src/USER-MISC/improper_fourier.cpp +++ b/src/USER-MISC/improper_fourier.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "improper_fourier.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "update.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/improper_ring.cpp b/src/USER-MISC/improper_ring.cpp index 4102a250dd..c85e4850c8 100644 --- a/src/USER-MISC/improper_ring.cpp +++ b/src/USER-MISC/improper_ring.cpp @@ -37,7 +37,7 @@ ------------------------------------------------------------------------- */ #include "improper_ring.h" -#include + #include #include "atom.h" #include "comm.h" @@ -47,7 +47,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/pair_agni.cpp b/src/USER-MISC/pair_agni.cpp index 764ccc587f..0a00c914c7 100644 --- a/src/USER-MISC/pair_agni.cpp +++ b/src/USER-MISC/pair_agni.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "pair_agni.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -31,7 +31,7 @@ #include "citeme.h" #include "math_special.h" #include "math_const.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/USER-MISC/pair_buck_mdf.cpp b/src/USER-MISC/pair_buck_mdf.cpp index 6a4575c6e4..9ef96f1188 100644 --- a/src/USER-MISC/pair_buck_mdf.cpp +++ b/src/USER-MISC/pair_buck_mdf.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_buck_mdf.h" -#include + #include #include #include "atom.h" @@ -25,7 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_cosine_squared.cpp b/src/USER-MISC/pair_cosine_squared.cpp index 8e400d23ed..57dd55c593 100644 --- a/src/USER-MISC/pair_cosine_squared.cpp +++ b/src/USER-MISC/pair_cosine_squared.cpp @@ -16,7 +16,7 @@ #include "pair_cosine_squared.h" #include -#include + #include #include "atom.h" #include "comm.h" @@ -30,7 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/pair_coul_diel.cpp b/src/USER-MISC/pair_coul_diel.cpp index 14fbd374b6..5a3e12f1a5 100644 --- a/src/USER-MISC/pair_coul_diel.cpp +++ b/src/USER-MISC/pair_coul_diel.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_diel.h" -#include + #include #include "atom.h" #include "comm.h" @@ -24,7 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_coul_shield.cpp b/src/USER-MISC/pair_coul_shield.cpp index 883796de1b..44ab555b02 100644 --- a/src/USER-MISC/pair_coul_shield.cpp +++ b/src/USER-MISC/pair_coul_shield.cpp @@ -28,7 +28,7 @@ #include "memory.h" #include "math_special.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_coul_slater_cut.cpp b/src/USER-MISC/pair_coul_slater_cut.cpp index 194ff664b3..6b1af9a42f 100644 --- a/src/USER-MISC/pair_coul_slater_cut.cpp +++ b/src/USER-MISC/pair_coul_slater_cut.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_coul_slater_cut.h" #include "atom.h" diff --git a/src/USER-MISC/pair_coul_slater_long.cpp b/src/USER-MISC/pair_coul_slater_long.cpp index d801d0342f..0fbd56f811 100644 --- a/src/USER-MISC/pair_coul_slater_long.cpp +++ b/src/USER-MISC/pair_coul_slater_long.cpp @@ -17,7 +17,7 @@ #include #include -#include + #include #include "pair_coul_slater_long.h" #include "atom.h" @@ -31,7 +31,7 @@ #include "respa.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_drip.cpp b/src/USER-MISC/pair_drip.cpp index cc890f8c94..7b56caa205 100644 --- a/src/USER-MISC/pair_drip.cpp +++ b/src/USER-MISC/pair_drip.cpp @@ -21,9 +21,9 @@ ------------------------------------------------------------------------- */ #include "pair_drip.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -33,7 +33,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_e3b.cpp b/src/USER-MISC/pair_e3b.cpp index 2b58e4b1f8..a7ed0fcaad 100644 --- a/src/USER-MISC/pair_e3b.cpp +++ b/src/USER-MISC/pair_e3b.cpp @@ -15,7 +15,7 @@ ------------------------------------------------------------------------- */ #include "pair_e3b.h" -#include + #include #include #include diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp index bb9c742212..6ccaded35d 100644 --- a/src/USER-MISC/pair_edip.cpp +++ b/src/USER-MISC/pair_edip.cpp @@ -22,10 +22,10 @@ ------------------------------------------------------------------------- */ #include "pair_edip.h" -#include + #include #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -35,7 +35,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_edip_multi.cpp b/src/USER-MISC/pair_edip_multi.cpp index 90a3502eae..4a81a41a26 100644 --- a/src/USER-MISC/pair_edip_multi.cpp +++ b/src/USER-MISC/pair_edip_multi.cpp @@ -18,9 +18,9 @@ ------------------------------------------------------------------------- */ #include "pair_edip_multi.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -31,7 +31,7 @@ #include "memory.h" #include "error.h" #include "citeme.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_extep.cpp b/src/USER-MISC/pair_extep.cpp index 8f8d539679..0db7f8739a 100644 --- a/src/USER-MISC/pair_extep.cpp +++ b/src/USER-MISC/pair_extep.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "pair_extep.h" -#include + #include -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "math_const.h" diff --git a/src/USER-MISC/pair_gauss_cut.cpp b/src/USER-MISC/pair_gauss_cut.cpp index 38d4c4d4c2..c9601c416e 100644 --- a/src/USER-MISC/pair_gauss_cut.cpp +++ b/src/USER-MISC/pair_gauss_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_gauss_cut.h" -#include + #include #include "atom.h" #include "comm.h" @@ -24,7 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "math_const.h" using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp index 62101d0e80..671dcb309d 100644 --- a/src/USER-MISC/pair_ilp_graphene_hbn.cpp +++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp @@ -21,9 +21,9 @@ ------------------------------------------------------------------------- */ #include "pair_ilp_graphene_hbn.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -34,7 +34,7 @@ #include "my_page.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp index fb1da5dab8..9f986fa101 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp +++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp @@ -22,9 +22,9 @@ #include "pair_kolmogorov_crespi_full.h" #include -#include + #include -#include + #include "atom.h" #include "comm.h" #include "force.h" @@ -34,7 +34,7 @@ #include "my_page.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp index f02423e952..7ce6f8652a 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp +++ b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp @@ -22,9 +22,9 @@ ------------------------------------------------------------------------- */ #include "pair_kolmogorov_crespi_z.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -32,7 +32,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_lebedeva_z.cpp b/src/USER-MISC/pair_lebedeva_z.cpp index 5a84882cd9..b8f9e5c38f 100644 --- a/src/USER-MISC/pair_lebedeva_z.cpp +++ b/src/USER-MISC/pair_lebedeva_z.cpp @@ -23,9 +23,9 @@ ------------------------------------------------------------------------- */ #include "pair_lebedeva_z.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -33,7 +33,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_lennard_mdf.cpp b/src/USER-MISC/pair_lennard_mdf.cpp index 6faa599d2c..31d32db505 100644 --- a/src/USER-MISC/pair_lennard_mdf.cpp +++ b/src/USER-MISC/pair_lennard_mdf.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lennard_mdf.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_list.cpp b/src/USER-MISC/pair_list.cpp index c553e671cb..a93e0a81af 100644 --- a/src/USER-MISC/pair_list.cpp +++ b/src/USER-MISC/pair_list.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_list.h" -#include + #include #include #include "atom.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_lj_expand_coul_long.cpp b/src/USER-MISC/pair_lj_expand_coul_long.cpp index 20081fa1e1..92e869e58c 100644 --- a/src/USER-MISC/pair_lj_expand_coul_long.cpp +++ b/src/USER-MISC/pair_lj_expand_coul_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_expand_coul_long.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/pair_lj_mdf.cpp b/src/USER-MISC/pair_lj_mdf.cpp index 22f20a690e..baa0e233f2 100644 --- a/src/USER-MISC/pair_lj_mdf.cpp +++ b/src/USER-MISC/pair_lj_mdf.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_mdf.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp index 6a92602683..ab845e69d5 100644 --- a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp +++ b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_sf_dipole_sf.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "update.h" using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_local_density.cpp b/src/USER-MISC/pair_local_density.cpp index 8ad9793f98..3b76bd8482 100644 --- a/src/USER-MISC/pair_local_density.cpp +++ b/src/USER-MISC/pair_local_density.cpp @@ -18,11 +18,11 @@ ------------------------------------------------------------------------- */ #include "pair_local_density.h" -#include + #include -#include + #include -#include + #include "atom.h" #include "force.h" #include "comm.h" @@ -33,7 +33,7 @@ #include "error.h" #include "domain.h" #include "citeme.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_meam_spline.cpp b/src/USER-MISC/pair_meam_spline.cpp index 6091b95837..4d9b3866b7 100644 --- a/src/USER-MISC/pair_meam_spline.cpp +++ b/src/USER-MISC/pair_meam_spline.cpp @@ -33,7 +33,7 @@ #include "pair_meam_spline.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -43,7 +43,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_meam_sw_spline.cpp b/src/USER-MISC/pair_meam_sw_spline.cpp index 34cbe82581..0a8aae233a 100644 --- a/src/USER-MISC/pair_meam_sw_spline.cpp +++ b/src/USER-MISC/pair_meam_sw_spline.cpp @@ -25,7 +25,7 @@ #include "pair_meam_sw_spline.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -35,7 +35,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_momb.cpp b/src/USER-MISC/pair_momb.cpp index 534f4acff5..d534284b57 100644 --- a/src/USER-MISC/pair_momb.cpp +++ b/src/USER-MISC/pair_momb.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_momb.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "citeme.h" using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_morse_smooth_linear.cpp b/src/USER-MISC/pair_morse_smooth_linear.cpp index 399723e0c5..9f895800df 100644 --- a/src/USER-MISC/pair_morse_smooth_linear.cpp +++ b/src/USER-MISC/pair_morse_smooth_linear.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_morse_smooth_linear.h" -#include + #include #include #include "atom.h" @@ -21,7 +21,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp index 9926318597..150895108e 100644 --- a/src/USER-MISC/pair_srp.cpp +++ b/src/USER-MISC/pair_srp.cpp @@ -26,9 +26,9 @@ Please contact Timothy Sirk for questions (tim.sirk@us.army.mil). ------------------------------------------------------------------------- */ #include "pair_srp.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -44,7 +44,7 @@ Please contact Timothy Sirk for questions (tim.sirk@us.army.mil). #include "thermo.h" #include "output.h" #include "citeme.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp index 4df172a001..1f5cfddff1 100644 --- a/src/USER-MISC/pair_tersoff_table.cpp +++ b/src/USER-MISC/pair_tersoff_table.cpp @@ -21,9 +21,9 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_table.h" -#include + #include -#include + #include #include "atom.h" #include "neighbor.h" @@ -32,7 +32,7 @@ #include "force.h" #include "comm.h" #include "memory.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/USER-MOFFF/angle_class2_p6.cpp b/src/USER-MOFFF/angle_class2_p6.cpp index aa56ababe1..7ef134405d 100644 --- a/src/USER-MOFFF/angle_class2_p6.cpp +++ b/src/USER-MOFFF/angle_class2_p6.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "angle_class2_p6.h" -#include + #include #include #include "atom.h" @@ -28,7 +28,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MOFFF/angle_cosine_buck6d.cpp b/src/USER-MOFFF/angle_cosine_buck6d.cpp index 0f49882e83..1bede58751 100644 --- a/src/USER-MOFFF/angle_cosine_buck6d.cpp +++ b/src/USER-MOFFF/angle_cosine_buck6d.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "angle_cosine_buck6d.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -28,7 +28,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MOFFF/improper_inversion_harmonic.cpp b/src/USER-MOFFF/improper_inversion_harmonic.cpp index 0ecc60ecc1..bbe6e48a35 100644 --- a/src/USER-MOFFF/improper_inversion_harmonic.cpp +++ b/src/USER-MOFFF/improper_inversion_harmonic.cpp @@ -20,7 +20,7 @@ ------------------------------------------------------------------------- */ #include "improper_inversion_harmonic.h" -#include + #include #include "atom.h" #include "comm.h" @@ -29,7 +29,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp index 28fc955448..0de5423d30 100644 --- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp +++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp @@ -29,7 +29,7 @@ #include "memory.h" #include "math_const.h" #include "error.h" -#include "utils.h" + #include "math_special.h" using namespace LAMMPS_NS; diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp index 20bf7fa049..c6ba832fff 100644 --- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp +++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_buck6d_coul_gauss_long.h" -#include + #include #include #include "atom.h" @@ -29,7 +29,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "math_special.h" using namespace LAMMPS_NS; diff --git a/src/USER-MOLFILE/dump_molfile.cpp b/src/USER-MOLFILE/dump_molfile.cpp index d9d8ec3c97..e0e92f9339 100644 --- a/src/USER-MOLFILE/dump_molfile.cpp +++ b/src/USER-MOLFILE/dump_molfile.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "dump_molfile.h" -#include + #include #include #include "domain.h" diff --git a/src/USER-NETCDF/dump_netcdf.cpp b/src/USER-NETCDF/dump_netcdf.cpp index bb85dfb784..f936de6d02 100644 --- a/src/USER-NETCDF/dump_netcdf.cpp +++ b/src/USER-NETCDF/dump_netcdf.cpp @@ -18,7 +18,7 @@ #if defined(LMP_HAS_NETCDF) #include -#include + #include #include #include "dump_netcdf.h" diff --git a/src/USER-NETCDF/dump_netcdf_mpiio.cpp b/src/USER-NETCDF/dump_netcdf_mpiio.cpp index 8747bbea25..19b0632922 100644 --- a/src/USER-NETCDF/dump_netcdf_mpiio.cpp +++ b/src/USER-NETCDF/dump_netcdf_mpiio.cpp @@ -18,7 +18,7 @@ #if defined(LMP_HAS_PNETCDF) #include -#include + #include #include #include "dump_netcdf_mpiio.h" diff --git a/src/USER-OMP/fix_nh_asphere_omp.cpp b/src/USER-OMP/fix_nh_asphere_omp.cpp index 9c7317bebd..f097e93be2 100644 --- a/src/USER-OMP/fix_nh_asphere_omp.cpp +++ b/src/USER-OMP/fix_nh_asphere_omp.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include -#include + #include #include "math_extra.h" #include "fix_nh_asphere_omp.h" diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp index b0573dfa97..5b2ee88420 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.cpp +++ b/src/USER-OMP/fix_qeq_comb_omp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_qeq_comb_omp.h" -#include + #include #include #include "pair_comb.h" diff --git a/src/USER-OMP/fix_qeq_reax_omp.cpp b/src/USER-OMP/fix_qeq_reax_omp.cpp index a10d3127a9..ef0f918cbf 100644 --- a/src/USER-OMP/fix_qeq_reax_omp.cpp +++ b/src/USER-OMP/fix_qeq_reax_omp.cpp @@ -32,7 +32,7 @@ ------------------------------------------------------------------------- */ #include "fix_qeq_reax_omp.h" -#include + #include #include "pair_reaxc.h" #include "atom.h" diff --git a/src/USER-OMP/fix_rigid_nh_omp.cpp b/src/USER-OMP/fix_rigid_nh_omp.cpp index 63084fcc9e..f53fcf63bc 100644 --- a/src/USER-OMP/fix_rigid_nh_omp.cpp +++ b/src/USER-OMP/fix_rigid_nh_omp.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include "fix_rigid_nh_omp.h" -#include + #include #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/USER-OMP/fix_rigid_omp.cpp b/src/USER-OMP/fix_rigid_omp.cpp index 9f78f6dc26..62f853d23b 100644 --- a/src/USER-OMP/fix_rigid_omp.cpp +++ b/src/USER-OMP/fix_rigid_omp.cpp @@ -17,7 +17,7 @@ #include "omp_compat.h" #include "fix_rigid_omp.h" -#include + #include #include #include "atom.h" diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp index 3e0e423f3d..f0823204c0 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.cpp +++ b/src/USER-OMP/pair_eam_alloy_omp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "pair_eam_alloy_omp.h" #include "atom.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp index 76e9840a5c..89590bb3e6 100644 --- a/src/USER-OMP/pair_eam_fs_omp.cpp +++ b/src/USER-OMP/pair_eam_fs_omp.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "pair_eam_fs_omp.h" #include "atom.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp index 72a7d5f16a..fb579fb980 100644 --- a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp @@ -19,7 +19,7 @@ #include "pair_lj_cut_thole_long_omp.h" #include #include -#include + #include #include "atom.h" #include "comm.h" diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp index 73b1373fad..08efb73aab 100644 --- a/src/USER-OMP/pair_reaxc_omp.cpp +++ b/src/USER-OMP/pair_reaxc_omp.cpp @@ -34,7 +34,7 @@ ------------------------------------------------------------------------- */ #include "pair_reaxc_omp.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp index 005cd427a9..d1d808307a 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp +++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp @@ -18,7 +18,7 @@ #include #include -#include + #include #include "pair_tersoff_zbl_omp.h" #include "atom.h" @@ -30,7 +30,7 @@ #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "potential_file_reader.h" diff --git a/src/USER-PHONON/fix_phonon.cpp b/src/USER-PHONON/fix_phonon.cpp index 17325b062a..382eabe82d 100644 --- a/src/USER-PHONON/fix_phonon.cpp +++ b/src/USER-PHONON/fix_phonon.cpp @@ -23,7 +23,7 @@ konglt@sjtu.edu.cn; konglt@gmail.com ------------------------------------------------------------------------- */ -#include + #include #include #include "fix_phonon.h" diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp index 3a52bbaaa1..b7a29c7bc9 100644 --- a/src/USER-PLUMED/fix_plumed.cpp +++ b/src/USER-PLUMED/fix_plumed.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "atom.h" @@ -33,7 +33,7 @@ #include "compute.h" #include "modify.h" #include "pair.h" -#include "utils.h" + #include "timer.h" #include "plumed/wrapper/Plumed.h" diff --git a/src/USER-QMMM/fix_qmmm.cpp b/src/USER-QMMM/fix_qmmm.cpp index f1a34d9538..9f07030004 100644 --- a/src/USER-QMMM/fix_qmmm.cpp +++ b/src/USER-QMMM/fix_qmmm.cpp @@ -15,7 +15,7 @@ Contributing author: Axel Kohlmeyer (ICTP) ------------------------------------------------------------------------- */ -#include + #include #include "fix_qmmm.h" #include "atom.h" diff --git a/src/USER-QTB/fix_qbmsst.cpp b/src/USER-QTB/fix_qbmsst.cpp index b590e1ae9a..034738023c 100644 --- a/src/USER-QTB/fix_qbmsst.cpp +++ b/src/USER-QTB/fix_qbmsst.cpp @@ -17,11 +17,11 @@ ------------------------------------------------------------------------- */ #include "fix_qbmsst.h" -#include + #include #include -#include -#include + + #include "atom.h" #include "force.h" #include "update.h" @@ -34,8 +34,8 @@ #include "error.h" #include "kspace.h" #include "math_const.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-QTB/fix_qtb.cpp b/src/USER-QTB/fix_qtb.cpp index 80c0efddab..3f29229beb 100644 --- a/src/USER-QTB/fix_qtb.cpp +++ b/src/USER-QTB/fix_qtb.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include "fix_qtb.h" -#include + #include #include -#include + #include "atom.h" #include "force.h" #include "update.h" @@ -32,8 +32,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-QUIP/pair_quip.cpp b/src/USER-QUIP/pair_quip.cpp index 64c56cb0e6..5511efe681 100644 --- a/src/USER-QUIP/pair_quip.cpp +++ b/src/USER-QUIP/pair_quip.cpp @@ -16,10 +16,10 @@ Aidan Thompson (Sandia, athomps@sandia.gov) ------------------------------------------------------------------------- */ -#include + #include #include -#include + #include #include "pair_quip.h" #include "atom.h" diff --git a/src/USER-REACTION/fix_bond_react.cpp b/src/USER-REACTION/fix_bond_react.cpp index 99d016f1a0..0370d83fdc 100644 --- a/src/USER-REACTION/fix_bond_react.cpp +++ b/src/USER-REACTION/fix_bond_react.cpp @@ -16,10 +16,10 @@ Contributing Author: Jacob Gissinger (jacob.gissinger@colorado.edu) ------------------------------------------------------------------------- */ #include "fix_bond_react.h" -#include + #include #include -#include + #include "update.h" #include "modify.h" #include "respa.h" @@ -43,7 +43,7 @@ Contributing Author: Jacob Gissinger (jacob.gissinger@colorado.edu) #include "error.h" #include "input.h" #include "variable.h" -#include "fmt/format.h" + #include "superpose3d.h" #include diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp index 433fd82bcd..4a61cfa03b 100644 --- a/src/USER-REAXC/fix_qeq_reax.cpp +++ b/src/USER-REAXC/fix_qeq_reax.cpp @@ -19,7 +19,7 @@ ------------------------------------------------------------------------- */ #include "fix_qeq_reax.h" -#include + #include #include #include "pair_reaxc.h" diff --git a/src/USER-REAXC/fix_reaxc_bonds.cpp b/src/USER-REAXC/fix_reaxc_bonds.cpp index 5c57fed261..c0ffd4c17e 100644 --- a/src/USER-REAXC/fix_reaxc_bonds.cpp +++ b/src/USER-REAXC/fix_reaxc_bonds.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_reaxc_bonds.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-REAXC/fix_reaxc_species.cpp b/src/USER-REAXC/fix_reaxc_species.cpp index 74692f1c9b..ec03ab1808 100644 --- a/src/USER-REAXC/fix_reaxc_species.cpp +++ b/src/USER-REAXC/fix_reaxc_species.cpp @@ -17,8 +17,8 @@ ------------------------------------------------------------------------- */ #include "fix_reaxc_species.h" -#include -#include + + #include #include "fix_ave_atom.h" #include "atom.h" diff --git a/src/USER-REAXC/pair_reaxc.cpp b/src/USER-REAXC/pair_reaxc.cpp index e0888e8514..c38257ae30 100644 --- a/src/USER-REAXC/pair_reaxc.cpp +++ b/src/USER-REAXC/pair_reaxc.cpp @@ -21,9 +21,9 @@ ------------------------------------------------------------------------- */ #include "pair_reaxc.h" -#include + #include -#include + #include #include #include "atom.h" @@ -39,7 +39,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "reaxc_defs.h" #include "reaxc_types.h" diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp index b215e8d278..9d52ee2250 100644 --- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp +++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp @@ -30,7 +30,7 @@ #include "error.h" #include "domain.h" #include "update.h" -#include "utils.h" + #ifndef USE_ZEST #include "random_mars.h" #endif diff --git a/src/USER-SMD/compute_smd_vol.cpp b/src/USER-SMD/compute_smd_vol.cpp index eb1f144275..5999dfaa5d 100644 --- a/src/USER-SMD/compute_smd_vol.cpp +++ b/src/USER-SMD/compute_smd_vol.cpp @@ -23,7 +23,7 @@ ------------------------------------------------------------------------- */ #include "compute_smd_vol.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/fix_smd_adjust_dt.cpp b/src/USER-SMD/fix_smd_adjust_dt.cpp index ab6dd5ef5c..b5dab3d3a1 100644 --- a/src/USER-SMD/fix_smd_adjust_dt.cpp +++ b/src/USER-SMD/fix_smd_adjust_dt.cpp @@ -23,8 +23,8 @@ ------------------------------------------------------------------------- */ #include "fix_smd_adjust_dt.h" -#include -#include + + #include "update.h" #include "force.h" #include "pair.h" diff --git a/src/USER-SMD/fix_smd_setvel.cpp b/src/USER-SMD/fix_smd_setvel.cpp index 895e5b1a25..90589f3044 100644 --- a/src/USER-SMD/fix_smd_setvel.cpp +++ b/src/USER-SMD/fix_smd_setvel.cpp @@ -24,7 +24,7 @@ ------------------------------------------------------------------------- */ #include "fix_smd_setvel.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp b/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp index 4ade21a6fd..3e63de08f3 100644 --- a/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp +++ b/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp @@ -25,7 +25,7 @@ ------------------------------------------------------------------------- */ #include "fix_smd_tlsph_reference_configuration.h" -#include + #include #include "atom.h" #include "comm.h" diff --git a/src/USER-SMD/fix_smd_wall_surface.cpp b/src/USER-SMD/fix_smd_wall_surface.cpp index ba3a324d56..c61fe14353 100644 --- a/src/USER-SMD/fix_smd_wall_surface.cpp +++ b/src/USER-SMD/fix_smd_wall_surface.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "fix_smd_wall_surface.h" -#include + #include -#include + #include #include "atom.h" #include "domain.h" diff --git a/src/USER-SMD/pair_smd_hertz.cpp b/src/USER-SMD/pair_smd_hertz.cpp index 67fda5f18d..8d3c06d5e6 100644 --- a/src/USER-SMD/pair_smd_hertz.cpp +++ b/src/USER-SMD/pair_smd_hertz.cpp @@ -27,9 +27,9 @@ ------------------------------------------------------------------------- */ #include "pair_smd_hertz.h" -#include + #include -#include + #include #include "atom.h" #include "domain.h" @@ -40,7 +40,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-SMD/pair_smd_tlsph.cpp b/src/USER-SMD/pair_smd_tlsph.cpp index 1ba4b37520..25301685a7 100644 --- a/src/USER-SMD/pair_smd_tlsph.cpp +++ b/src/USER-SMD/pair_smd_tlsph.cpp @@ -23,10 +23,10 @@ ------------------------------------------------------------------------- */ #include "pair_smd_tlsph.h" -#include + #include #include -#include + #include #include #include "fix_smd_tlsph_reference_configuration.h" diff --git a/src/USER-SMD/pair_smd_triangulated_surface.cpp b/src/USER-SMD/pair_smd_triangulated_surface.cpp index 9243883719..8ccba562e2 100644 --- a/src/USER-SMD/pair_smd_triangulated_surface.cpp +++ b/src/USER-SMD/pair_smd_triangulated_surface.cpp @@ -27,9 +27,9 @@ ------------------------------------------------------------------------- */ #include "pair_smd_triangulated_surface.h" -#include + #include -#include + #include #include #include "atom.h" @@ -41,7 +41,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace std; using namespace LAMMPS_NS; diff --git a/src/USER-SMD/pair_smd_ulsph.cpp b/src/USER-SMD/pair_smd_ulsph.cpp index ecd0d5f4ec..e9cf256c3c 100644 --- a/src/USER-SMD/pair_smd_ulsph.cpp +++ b/src/USER-SMD/pair_smd_ulsph.cpp @@ -23,10 +23,10 @@ ------------------------------------------------------------------------- */ #include "pair_smd_ulsph.h" -#include + #include #include -#include + #include #include "atom.h" #include "domain.h" diff --git a/src/USER-SMTBQ/pair_smtbq.cpp b/src/USER-SMTBQ/pair_smtbq.cpp index f6ecd40bb6..875d254ac9 100644 --- a/src/USER-SMTBQ/pair_smtbq.cpp +++ b/src/USER-SMTBQ/pair_smtbq.cpp @@ -39,9 +39,9 @@ ------------------------------------------------------------------------- */ #include "pair_smtbq.h" -#include + #include -#include + #include #include #include diff --git a/src/USER-SPH/pair_sph_heatconduction.cpp b/src/USER-SPH/pair_sph_heatconduction.cpp index 7bb06c14d9..fb8c928f2d 100644 --- a/src/USER-SPH/pair_sph_heatconduction.cpp +++ b/src/USER-SPH/pair_sph_heatconduction.cpp @@ -19,7 +19,7 @@ #include "error.h" #include "neigh_list.h" #include "domain.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-SPH/pair_sph_idealgas.cpp b/src/USER-SPH/pair_sph_idealgas.cpp index c80e2b4725..5480ff8e4c 100644 --- a/src/USER-SPH/pair_sph_idealgas.cpp +++ b/src/USER-SPH/pair_sph_idealgas.cpp @@ -19,7 +19,7 @@ #include "memory.h" #include "error.h" #include "domain.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-SPH/pair_sph_lj.cpp b/src/USER-SPH/pair_sph_lj.cpp index 4004e41574..eb76d800c8 100644 --- a/src/USER-SPH/pair_sph_lj.cpp +++ b/src/USER-SPH/pair_sph_lj.cpp @@ -19,7 +19,7 @@ #include "memory.h" #include "error.h" #include "domain.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp index c70cc7cd83..429d4199a4 100644 --- a/src/USER-SPH/pair_sph_rhosum.cpp +++ b/src/USER-SPH/pair_sph_rhosum.cpp @@ -22,7 +22,7 @@ #include "neighbor.h" #include "update.h" #include "domain.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-SPH/pair_sph_taitwater.cpp b/src/USER-SPH/pair_sph_taitwater.cpp index 6455c1e8be..c0051201d0 100644 --- a/src/USER-SPH/pair_sph_taitwater.cpp +++ b/src/USER-SPH/pair_sph_taitwater.cpp @@ -20,7 +20,7 @@ #include "memory.h" #include "error.h" #include "domain.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-SPH/pair_sph_taitwater_morris.cpp b/src/USER-SPH/pair_sph_taitwater_morris.cpp index 7a6188da69..497aea293b 100644 --- a/src/USER-SPH/pair_sph_taitwater_morris.cpp +++ b/src/USER-SPH/pair_sph_taitwater_morris.cpp @@ -20,7 +20,7 @@ #include "memory.h" #include "error.h" #include "domain.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-TALLY/compute_force_tally.cpp b/src/USER-TALLY/compute_force_tally.cpp index 9d15fbc441..d010b004d5 100644 --- a/src/USER-TALLY/compute_force_tally.cpp +++ b/src/USER-TALLY/compute_force_tally.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_force_tally.h" -#include + #include #include "atom.h" #include "group.h" diff --git a/src/USER-TALLY/compute_heat_flux_tally.cpp b/src/USER-TALLY/compute_heat_flux_tally.cpp index 350bc4b4b6..1a2dd36285 100644 --- a/src/USER-TALLY/compute_heat_flux_tally.cpp +++ b/src/USER-TALLY/compute_heat_flux_tally.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_heat_flux_tally.h" -#include + #include "atom.h" #include "group.h" #include "pair.h" diff --git a/src/USER-TALLY/compute_pe_mol_tally.cpp b/src/USER-TALLY/compute_pe_mol_tally.cpp index ce647a04c3..835d1e80bd 100644 --- a/src/USER-TALLY/compute_pe_mol_tally.cpp +++ b/src/USER-TALLY/compute_pe_mol_tally.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pe_mol_tally.h" -#include + #include "atom.h" #include "group.h" #include "pair.h" diff --git a/src/USER-TALLY/compute_pe_tally.cpp b/src/USER-TALLY/compute_pe_tally.cpp index edfa49b1b1..ef7c13fed2 100644 --- a/src/USER-TALLY/compute_pe_tally.cpp +++ b/src/USER-TALLY/compute_pe_tally.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pe_tally.h" -#include + #include "atom.h" #include "group.h" #include "pair.h" diff --git a/src/USER-TALLY/compute_stress_tally.cpp b/src/USER-TALLY/compute_stress_tally.cpp index 1ea096e286..2a0cbc8e4b 100644 --- a/src/USER-TALLY/compute_stress_tally.cpp +++ b/src/USER-TALLY/compute_stress_tally.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_stress_tally.h" -#include + #include "atom.h" #include "group.h" #include "pair.h" diff --git a/src/USER-VTK/dump_vtk.cpp b/src/USER-VTK/dump_vtk.cpp index 72ed2640d8..59dba0d90d 100644 --- a/src/USER-VTK/dump_vtk.cpp +++ b/src/USER-VTK/dump_vtk.cpp @@ -23,7 +23,7 @@ ------------------------------------------------------------------------- */ #include -#include + #include #include "dump_vtk.h" #include "atom.h" diff --git a/src/USER-VTK/dump_vtk.h b/src/USER-VTK/dump_vtk.h index e8de87f11c..b9db1f88cb 100644 --- a/src/USER-VTK/dump_vtk.h +++ b/src/USER-VTK/dump_vtk.h @@ -27,7 +27,7 @@ DumpStyle(vtk,DumpVTK) #include "dump_custom.h" #include #include -#include + #include #include diff --git a/src/USER-YAFF/angle_cross.cpp b/src/USER-YAFF/angle_cross.cpp index 9c925d2365..c45af1d198 100644 --- a/src/USER-YAFF/angle_cross.cpp +++ b/src/USER-YAFF/angle_cross.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_cross.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-YAFF/angle_mm3.cpp b/src/USER-YAFF/angle_mm3.cpp index 38a2cea3aa..34de772672 100644 --- a/src/USER-YAFF/angle_mm3.cpp +++ b/src/USER-YAFF/angle_mm3.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "angle_mm3.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-YAFF/bond_mm3.cpp b/src/USER-YAFF/bond_mm3.cpp index 39f238f1ab..f5d5fed946 100644 --- a/src/USER-YAFF/bond_mm3.cpp +++ b/src/USER-YAFF/bond_mm3.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "bond_mm3.h" -#include + #include #include "atom.h" #include "neighbor.h" @@ -24,7 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-YAFF/improper_distharm.cpp b/src/USER-YAFF/improper_distharm.cpp index e9b454bdb9..37039b27e4 100644 --- a/src/USER-YAFF/improper_distharm.cpp +++ b/src/USER-YAFF/improper_distharm.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "improper_distharm.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-YAFF/improper_sqdistharm.cpp b/src/USER-YAFF/improper_sqdistharm.cpp index af5086917a..ddc4d78c93 100644 --- a/src/USER-YAFF/improper_sqdistharm.cpp +++ b/src/USER-YAFF/improper_sqdistharm.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "improper_sqdistharm.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp index 2cbf01f7b7..98fd317794 100644 --- a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp +++ b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_switch3_coulgauss_long.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp index 52bcf20b9b..e1ee0e0b98 100644 --- a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp +++ b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_mm3_switch3_coulgauss_long.h" -#include + #include #include #include "atom.h" @@ -31,7 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp index bda4299a68..be77b8457b 100644 --- a/src/VORONOI/compute_voronoi_atom.cpp +++ b/src/VORONOI/compute_voronoi_atom.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_voronoi_atom.h" -#include + #include #include #include diff --git a/src/angle_deprecated.cpp b/src/angle_deprecated.cpp index fb3f90ec28..7c2426739d 100644 --- a/src/angle_deprecated.cpp +++ b/src/angle_deprecated.cpp @@ -16,12 +16,10 @@ ------------------------------------------------------------------------- */ #include "angle_deprecated.h" -#include #include "angle_hybrid.h" #include "comm.h" #include "force.h" #include "error.h" -#include "utils.h" using namespace LAMMPS_NS; diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp index d0a1d29e65..56590d6757 100644 --- a/src/angle_hybrid.cpp +++ b/src/angle_hybrid.cpp @@ -12,16 +12,16 @@ ------------------------------------------------------------------------- */ #include "angle_hybrid.h" -#include -#include -#include + #include "atom.h" #include "neighbor.h" #include "comm.h" #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/angle_zero.cpp b/src/angle_zero.cpp index eb9cbf1ea2..e087b774e0 100644 --- a/src/angle_zero.cpp +++ b/src/angle_zero.cpp @@ -16,15 +16,14 @@ ------------------------------------------------------------------------- */ #include "angle_zero.h" -#include -#include + #include "atom.h" -#include "force.h" #include "comm.h" #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/atom.cpp b/src/atom.cpp index f4c93db459..6fff15d11f 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -12,31 +12,28 @@ ------------------------------------------------------------------------- */ #include "atom.h" -#include -#include -#include -#include -#include -#include #include "style_atom.h" + #include "atom_vec.h" #include "atom_vec_ellipsoid.h" #include "comm.h" -#include "neighbor.h" -#include "force.h" -#include "modify.h" -#include "fix.h" #include "compute.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "fix.h" +#include "force.h" #include "group.h" #include "input.h" -#include "variable.h" -#include "molecule.h" #include "math_const.h" #include "memory.h" -#include "error.h" -#include "utils.h" +#include "modify.h" +#include "molecule.h" +#include "neighbor.h" +#include "update.h" +#include "variable.h" + +#include +#include #ifdef LMP_USER_INTEL #include "neigh_request.h" diff --git a/src/atom.h b/src/atom.h index 4dac15d758..21b9c06f8c 100644 --- a/src/atom.h +++ b/src/atom.h @@ -15,16 +15,20 @@ #define LMP_ATOM_H #include "pointers.h" + #include #include -#include namespace LAMMPS_NS { + // forward declaration + + class AtomVec; + class Atom : protected Pointers { public: char *atom_style; - class AtomVec *avec; + AtomVec *avec; enum{DOUBLE,INT,BIGINT}; // atom counts @@ -273,12 +277,12 @@ class Atom : protected Pointers { void add_peratom_vary(const char *, void *, int, int *, void *, int collength=0); void create_avec(const std::string &, int, char **, int); - virtual class AtomVec *new_avec(const std::string &, int, int &); + virtual AtomVec *new_avec(const std::string &, int, int &); void init(); void setup(); - class AtomVec *style_match(const char *); + AtomVec *style_match(const char *); void modify_params(int, char **); void tag_check(); void tag_extend(); @@ -296,8 +300,8 @@ class Atom : protected Pointers { void data_angles(int, char *, int *, tagint, int); void data_dihedrals(int, char *, int *, tagint, int); void data_impropers(int, char *, int *, tagint, int); - void data_bonus(int, char *, class AtomVec *, tagint); - void data_bodies(int, char *, class AtomVec *, tagint); + void data_bonus(int, char *, AtomVec *, tagint); + void data_bodies(int, char *, AtomVec *, tagint); void data_fix_compute_variable(int, int); virtual void allocate_type_arrays(); diff --git a/src/atom_map.cpp b/src/atom_map.cpp index c23aeec83c..02b97a1134 100644 --- a/src/atom_map.cpp +++ b/src/atom_map.cpp @@ -12,11 +12,12 @@ ------------------------------------------------------------------------- */ #include "atom.h" -#include -#include + #include "comm.h" -#include "memory.h" #include "error.h" +#include "memory.h" + +#include using namespace LAMMPS_NS; diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp index 261b068997..4a00e5852b 100644 --- a/src/atom_vec.cpp +++ b/src/atom_vec.cpp @@ -12,20 +12,19 @@ ------------------------------------------------------------------------- */ #include "atom_vec.h" -#include -#include + #include "atom.h" #include "comm.h" #include "domain.h" -#include "force.h" -#include "modify.h" +#include "error.h" #include "fix.h" +#include "force.h" #include "math_const.h" #include "memory.h" -#include "error.h" -#include "utils.h" +#include "modify.h" #include "tokenizer.h" -#include "fmt/format.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp index 10cbb9c841..871f40084d 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -12,18 +12,17 @@ ------------------------------------------------------------------------- */ #include "atom_vec_body.h" -#include -#include -#include "my_pool_chunk.h" #include "style_body.h" -#include "body.h" + #include "atom.h" -#include "domain.h" -#include "modify.h" +#include "body.h" +#include "error.h" #include "fix.h" #include "memory.h" -#include "error.h" -#include "utils.h" +#include "modify.h" +#include "my_pool_chunk.h" + +#include using namespace LAMMPS_NS; diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp index dc2760c5f9..c22111f48c 100644 --- a/src/atom_vec_ellipsoid.cpp +++ b/src/atom_vec_ellipsoid.cpp @@ -16,16 +16,16 @@ ------------------------------------------------------------------------- */ #include "atom_vec_ellipsoid.h" -#include -#include "math_extra.h" + #include "atom.h" -#include "modify.h" +#include "error.h" #include "fix.h" #include "math_const.h" +#include "math_extra.h" #include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "modify.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp index db593dcee0..5c37be4aa4 100644 --- a/src/atom_vec_hybrid.cpp +++ b/src/atom_vec_hybrid.cpp @@ -12,13 +12,13 @@ ------------------------------------------------------------------------- */ #include "atom_vec_hybrid.h" -#include + #include "atom.h" #include "comm.h" -#include "memory.h" #include "error.h" #include "tokenizer.h" -#include "fmt/format.h" + +#include using namespace LAMMPS_NS; diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp index af768f9943..88dcb8c2fa 100644 --- a/src/atom_vec_line.cpp +++ b/src/atom_vec_line.cpp @@ -12,17 +12,17 @@ ------------------------------------------------------------------------- */ #include "atom_vec_line.h" -#include -#include + #include "atom.h" #include "domain.h" -#include "modify.h" +#include "error.h" #include "fix.h" #include "math_const.h" #include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "modify.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/atom_vec_sphere.cpp b/src/atom_vec_sphere.cpp index 03f417b1d0..03412a11cc 100644 --- a/src/atom_vec_sphere.cpp +++ b/src/atom_vec_sphere.cpp @@ -12,14 +12,15 @@ ------------------------------------------------------------------------- */ #include "atom_vec_sphere.h" -#include + #include "atom.h" -#include "modify.h" +#include "error.h" #include "fix.h" #include "fix_adapt.h" #include "math_const.h" -#include "error.h" -#include "utils.h" +#include "modify.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp index d5b48b9540..e391a73215 100644 --- a/src/atom_vec_tri.cpp +++ b/src/atom_vec_tri.cpp @@ -12,18 +12,18 @@ ------------------------------------------------------------------------- */ #include "atom_vec_tri.h" -#include -#include -#include "math_extra.h" + #include "atom.h" #include "domain.h" -#include "modify.h" +#include "error.h" #include "fix.h" #include "math_const.h" +#include "math_extra.h" #include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "modify.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/balance.cpp b/src/balance.cpp index 168d7f59a4..af8d904812 100644 --- a/src/balance.cpp +++ b/src/balance.cpp @@ -19,28 +19,26 @@ // #define BALANCE_DEBUG 1 #include "balance.h" -#include -#include -#include + #include "atom.h" #include "comm.h" -#include "rcb.h" -#include "irregular.h" #include "domain.h" -#include "force.h" -#include "update.h" -#include "modify.h" +#include "error.h" #include "fix_store.h" #include "imbalance.h" #include "imbalance_group.h" -#include "imbalance_time.h" #include "imbalance_neigh.h" #include "imbalance_store.h" +#include "imbalance_time.h" #include "imbalance_var.h" +#include "irregular.h" #include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "modify.h" +#include "rcb.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/bond.cpp b/src/bond.cpp index 12659fd8aa..1f953bbd19 100644 --- a/src/bond.cpp +++ b/src/bond.cpp @@ -12,20 +12,18 @@ ------------------------------------------------------------------------- */ #include "bond.h" -#include -#include -#include + #include "atom.h" +#include "atom_masks.h" #include "comm.h" +#include "error.h" #include "force.h" +#include "memory.h" #include "neighbor.h" #include "suffix.h" -#include "atom_masks.h" -#include "memory.h" -#include "error.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + +#include using namespace LAMMPS_NS; diff --git a/src/bond_deprecated.cpp b/src/bond_deprecated.cpp index 0d91f73ea7..5422ab35f6 100644 --- a/src/bond_deprecated.cpp +++ b/src/bond_deprecated.cpp @@ -16,12 +16,11 @@ ------------------------------------------------------------------------- */ #include "bond_deprecated.h" -#include + #include "bond_hybrid.h" #include "comm.h" -#include "force.h" #include "error.h" -#include "utils.h" +#include "force.h" using namespace LAMMPS_NS; diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp index 2fe9f7d388..b42683c300 100644 --- a/src/bond_hybrid.cpp +++ b/src/bond_hybrid.cpp @@ -12,16 +12,16 @@ ------------------------------------------------------------------------- */ #include "bond_hybrid.h" -#include -#include -#include + #include "atom.h" -#include "neighbor.h" #include "comm.h" +#include "error.h" #include "force.h" #include "memory.h" -#include "error.h" -#include "utils.h" +#include "neighbor.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/bond_zero.cpp b/src/bond_zero.cpp index 8053c5531d..71146ec4d6 100644 --- a/src/bond_zero.cpp +++ b/src/bond_zero.cpp @@ -16,14 +16,13 @@ ------------------------------------------------------------------------- */ #include "bond_zero.h" -#include -#include + #include "atom.h" -#include "force.h" #include "comm.h" -#include "memory.h" #include "error.h" -#include "utils.h" +#include "memory.h" + +#include using namespace LAMMPS_NS; diff --git a/src/change_box.cpp b/src/change_box.cpp index 5fe4eb8a06..1bd3fe733f 100644 --- a/src/change_box.cpp +++ b/src/change_box.cpp @@ -12,22 +12,20 @@ ------------------------------------------------------------------------- */ #include "change_box.h" -#include + +#include "atom.h" +#include "comm.h" +#include "domain.h" +#include "error.h" +#include "fix.h" +#include "group.h" +#include "irregular.h" +#include "lattice.h" +#include "modify.h" +#include "output.h" + #include #include -#include "atom.h" -#include "modify.h" -#include "fix.h" -#include "domain.h" -#include "lattice.h" -#include "comm.h" -#include "irregular.h" -#include "output.h" -#include "group.h" -#include "error.h" -#include "force.h" -#include "utils.h" -#include "fmt/format.h" using namespace LAMMPS_NS; diff --git a/src/comm.cpp b/src/comm.cpp index 7e603f2104..24a5d050d4 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -12,31 +12,29 @@ ------------------------------------------------------------------------- */ #include "comm.h" -#include -#include -#include -#include "universe.h" + +#include "accelerator_kokkos.h" #include "atom.h" #include "atom_vec.h" -#include "force.h" -#include "pair.h" #include "bond.h" -#include "modify.h" -#include "neighbor.h" -#include "fix.h" #include "compute.h" #include "domain.h" -#include "output.h" #include "dump.h" -#include "group.h" -#include "procmap.h" -#include "irregular.h" -#include "accelerator_kokkos.h" -#include "memory.h" #include "error.h" +#include "fix.h" +#include "force.h" +#include "group.h" +#include "irregular.h" +#include "memory.h" +#include "modify.h" +#include "neighbor.h" +#include "output.h" +#include "pair.h" +#include "procmap.h" +#include "universe.h" #include "update.h" -#include "utils.h" -#include "fmt/format.h" + +#include #ifdef _OPENMP #include diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index c5ec8b35f4..37a4f0ae3d 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -16,19 +16,20 @@ ------------------------------------------------------------------------- */ #include "comm_brick.h" -#include -#include -#include + #include "atom.h" #include "atom_vec.h" -#include "pair.h" -#include "domain.h" -#include "neighbor.h" -#include "fix.h" #include "compute.h" +#include "domain.h" #include "dump.h" #include "error.h" +#include "fix.h" #include "memory.h" +#include "neighbor.h" +#include "pair.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 9f0169568d..48c9680d2f 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -17,19 +17,20 @@ ------------------------------------------------------------------------- */ #include "comm_tiled.h" -#include -#include -#include + #include "atom.h" #include "atom_vec.h" -#include "domain.h" -#include "pair.h" -#include "neighbor.h" -#include "fix.h" #include "compute.h" +#include "domain.h" #include "dump.h" -#include "memory.h" #include "error.h" +#include "fix.h" +#include "memory.h" +#include "neighbor.h" +#include "pair.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/compute.cpp b/src/compute.cpp index 208b93730e..4cde9ff567 100644 --- a/src/compute.cpp +++ b/src/compute.cpp @@ -12,16 +12,17 @@ ------------------------------------------------------------------------- */ #include "compute.h" + +#include "atom_masks.h" +#include "domain.h" +#include "error.h" +#include "fix.h" +#include "group.h" +#include "memory.h" +#include "modify.h" + #include #include -#include "domain.h" -#include "force.h" -#include "group.h" -#include "modify.h" -#include "fix.h" -#include "atom_masks.h" -#include "memory.h" -#include "error.h" using namespace LAMMPS_NS; diff --git a/src/compute_adf.cpp b/src/compute_adf.cpp index 0bd329079a..5d55f1fbbb 100644 --- a/src/compute_adf.cpp +++ b/src/compute_adf.cpp @@ -16,21 +16,21 @@ ------------------------------------------------------------------------- */ #include "compute_adf.h" -#include -#include -#include + #include "atom.h" -#include "update.h" +#include "comm.h" +#include "error.h" #include "force.h" -#include "pair.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "neigh_list.h" #include "math_const.h" #include "memory.h" -#include "error.h" -#include "comm.h" -#include "utils.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "pair.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index 6e28a94388..6b6f376b4c 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -16,23 +16,23 @@ ------------------------------------------------------------------------- */ #include "compute_aggregate_atom.h" -#include -#include -#include + #include "atom.h" #include "atom_vec.h" -#include "update.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "group.h" +#include "memory.h" #include "modify.h" -#include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" +#include "neighbor.h" #include "pair.h" -#include "force.h" -#include "comm.h" -#include "memory.h" -#include "error.h" +#include "update.h" -#include "group.h" +#include +#include using namespace LAMMPS_NS; diff --git a/src/compute_angle.cpp b/src/compute_angle.cpp index fc72a58453..e3e44efbbb 100644 --- a/src/compute_angle.cpp +++ b/src/compute_angle.cpp @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #include "compute_angle.h" -#include + #include "angle.h" -#include "update.h" -#include "force.h" #include "angle_hybrid.h" #include "error.h" +#include "force.h" +#include "update.h" using namespace LAMMPS_NS; diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp index 05ea963b82..6c9f1d65a2 100644 --- a/src/compute_angmom_chunk.cpp +++ b/src/compute_angmom_chunk.cpp @@ -12,15 +12,16 @@ ------------------------------------------------------------------------- */ #include "compute_angmom_chunk.h" -#include -#include + #include "atom.h" -#include "update.h" -#include "modify.h" #include "compute_chunk_atom.h" #include "domain.h" -#include "memory.h" #include "error.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/compute_bond.cpp b/src/compute_bond.cpp index 5cc947c764..503582bc65 100644 --- a/src/compute_bond.cpp +++ b/src/compute_bond.cpp @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #include "compute_bond.h" -#include + #include "bond.h" -#include "update.h" -#include "force.h" #include "bond_hybrid.h" #include "error.h" +#include "force.h" +#include "update.h" using namespace LAMMPS_NS; diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index ae041c1997..d0044410d8 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -14,29 +14,27 @@ // NOTE: allow for bin center to be variables for sphere/cylinder #include "compute_chunk_atom.h" -#include -#include -#include -#include -#include -#include + #include "atom.h" -#include "update.h" -#include "force.h" +#include "comm.h" #include "domain.h" -#include "region.h" -#include "lattice.h" -#include "modify.h" +#include "error.h" #include "fix.h" #include "fix_store.h" -#include "comm.h" #include "group.h" #include "input.h" -#include "variable.h" +#include "lattice.h" #include "math_const.h" #include "memory.h" -#include "error.h" -#include "fmt/format.h" +#include "modify.h" +#include "region.h" +#include "update.h" +#include "variable.h" + +#include +#include +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/compute_chunk_spread_atom.cpp b/src/compute_chunk_spread_atom.cpp index 579b194b9f..953ae3a8cb 100644 --- a/src/compute_chunk_spread_atom.cpp +++ b/src/compute_chunk_spread_atom.cpp @@ -12,18 +12,17 @@ ------------------------------------------------------------------------- */ #include "compute_chunk_spread_atom.h" -#include -#include + #include "atom.h" -#include "update.h" -#include "modify.h" -#include "fix.h" #include "compute.h" #include "compute_chunk_atom.h" -#include "input.h" -#include "memory.h" #include "error.h" -#include "utils.h" +#include "fix.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index 021665a647..8086ef3f41 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -12,22 +12,22 @@ ------------------------------------------------------------------------- */ #include "compute_cluster_atom.h" -#include -#include -#include + #include "atom.h" -#include "update.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "group.h" +#include "memory.h" #include "modify.h" -#include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" -#include "force.h" +#include "neighbor.h" #include "pair.h" -#include "comm.h" -#include "memory.h" -#include "error.h" +#include "update.h" -#include "group.h" +#include +#include using namespace LAMMPS_NS; diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index 8bbe2c15d0..e9b6f16990 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -16,21 +16,21 @@ ------------------------------------------------------------------------- */ #include "compute_cna_atom.h" -#include -#include -#include + #include "atom.h" -#include "update.h" +#include "comm.h" +#include "error.h" #include "force.h" -#include "pair.h" +#include "memory.h" #include "modify.h" -#include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" -#include "comm.h" -#include "memory.h" -#include "error.h" -#include "fmt/format.h" +#include "neighbor.h" +#include "pair.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/compute_com_chunk.cpp b/src/compute_com_chunk.cpp index c39911214c..8398311a05 100644 --- a/src/compute_com_chunk.cpp +++ b/src/compute_com_chunk.cpp @@ -12,15 +12,16 @@ ------------------------------------------------------------------------- */ #include "compute_com_chunk.h" -#include -#include + #include "atom.h" -#include "update.h" -#include "modify.h" #include "compute_chunk_atom.h" #include "domain.h" -#include "memory.h" #include "error.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index be2f9c39bd..cb919d3a83 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -12,22 +12,23 @@ ------------------------------------------------------------------------- */ #include "compute_coord_atom.h" -#include -#include -#include "compute_orientorder_atom.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 "compute_orientorder_atom.h" +#include "error.h" +#include "force.h" #include "group.h" #include "memory.h" -#include "error.h" -#include "utils.h" +#include "modify.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "pair.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/compute_deprecated.cpp b/src/compute_deprecated.cpp index 2419e5bc8b..4b7e3dae3c 100644 --- a/src/compute_deprecated.cpp +++ b/src/compute_deprecated.cpp @@ -12,10 +12,9 @@ ------------------------------------------------------------------------- */ #include "compute_deprecated.h" -#include + #include "comm.h" #include "error.h" -#include "utils.h" using namespace LAMMPS_NS; diff --git a/src/compute_dihedral.cpp b/src/compute_dihedral.cpp index e50903104a..8853887f18 100644 --- a/src/compute_dihedral.cpp +++ b/src/compute_dihedral.cpp @@ -12,12 +12,12 @@ ------------------------------------------------------------------------- */ #include "compute_dihedral.h" -#include -#include "update.h" -#include "force.h" + #include "dihedral.h" #include "dihedral_hybrid.h" #include "error.h" +#include "force.h" +#include "update.h" using namespace LAMMPS_NS; diff --git a/src/compute_dipole_chunk.cpp b/src/compute_dipole_chunk.cpp index 3790da2035..361ee36c18 100644 --- a/src/compute_dipole_chunk.cpp +++ b/src/compute_dipole_chunk.cpp @@ -12,17 +12,18 @@ ------------------------------------------------------------------------- */ #include "compute_dipole_chunk.h" -#include -#include -#include + #include "atom.h" -#include "update.h" -#include "modify.h" #include "compute_chunk_atom.h" #include "domain.h" -#include "memory.h" #include "error.h" #include "math_special.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp index b20dd3bec3..4b194cfab1 100644 --- a/src/compute_displace_atom.cpp +++ b/src/compute_displace_atom.cpp @@ -12,19 +12,20 @@ ------------------------------------------------------------------------- */ #include "compute_displace_atom.h" + +#include "atom.h" +#include "domain.h" +#include "error.h" +#include "fix_store.h" +#include "group.h" +#include "input.h" +#include "memory.h" +#include "modify.h" +#include "update.h" +#include "variable.h" + #include #include -#include "atom.h" -#include "update.h" -#include "group.h" -#include "domain.h" -#include "modify.h" -#include "fix_store.h" -#include "input.h" -#include "variable.h" -#include "memory.h" -#include "error.h" -#include "fmt/format.h" using namespace LAMMPS_NS; diff --git a/src/compute_erotate_sphere.cpp b/src/compute_erotate_sphere.cpp index 2a8588f061..447b28b51a 100644 --- a/src/compute_erotate_sphere.cpp +++ b/src/compute_erotate_sphere.cpp @@ -12,11 +12,11 @@ ------------------------------------------------------------------------- */ #include "compute_erotate_sphere.h" -#include + #include "atom.h" -#include "update.h" -#include "force.h" #include "error.h" +#include "force.h" +#include "update.h" using namespace LAMMPS_NS; diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp index 664e2fa9ec..db003c93e7 100644 --- a/src/compute_fragment_atom.cpp +++ b/src/compute_fragment_atom.cpp @@ -16,17 +16,17 @@ ------------------------------------------------------------------------- */ #include "compute_fragment_atom.h" -#include -#include + #include "atom.h" #include "atom_vec.h" -#include "update.h" -#include "modify.h" -#include "force.h" -#include "group.h" #include "comm.h" -#include "memory.h" #include "error.h" +#include "group.h" +#include "memory.h" +#include "modify.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/compute_global_atom.cpp b/src/compute_global_atom.cpp index 0c0e34fa0c..b3e4f88bf3 100644 --- a/src/compute_global_atom.cpp +++ b/src/compute_global_atom.cpp @@ -12,17 +12,17 @@ ------------------------------------------------------------------------- */ #include "compute_global_atom.h" -#include -#include + #include "atom.h" -#include "update.h" -#include "modify.h" +#include "error.h" #include "fix.h" #include "input.h" -#include "variable.h" #include "memory.h" -#include "error.h" -#include "utils.h" +#include "modify.h" +#include "update.h" +#include "variable.h" + +#include using namespace LAMMPS_NS; diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index c8876daeef..ca0483fce9 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "compute_group_group.h" -#include + #include #include #include "atom.h" diff --git a/src/compute_gyration.cpp b/src/compute_gyration.cpp index bce0c0de85..81876109c4 100644 --- a/src/compute_gyration.cpp +++ b/src/compute_gyration.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_gyration.h" -#include + #include "update.h" #include "atom.h" #include "group.h" diff --git a/src/compute_gyration_chunk.cpp b/src/compute_gyration_chunk.cpp index 5677ce4b6a..ad0520bc01 100644 --- a/src/compute_gyration_chunk.cpp +++ b/src/compute_gyration_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_gyration_chunk.h" -#include + #include #include #include "atom.h" diff --git a/src/compute_heat_flux.cpp b/src/compute_heat_flux.cpp index 7b607bd4db..15a17949eb 100644 --- a/src/compute_heat_flux.cpp +++ b/src/compute_heat_flux.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "compute_heat_flux.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_improper.cpp b/src/compute_improper.cpp index 181771dcfb..3721dbfd48 100644 --- a/src/compute_improper.cpp +++ b/src/compute_improper.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_improper.h" -#include + #include "update.h" #include "force.h" #include "improper.h" diff --git a/src/compute_inertia_chunk.cpp b/src/compute_inertia_chunk.cpp index be980a08ee..65de1d7bb5 100644 --- a/src/compute_inertia_chunk.cpp +++ b/src/compute_inertia_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_inertia_chunk.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_ke.cpp b/src/compute_ke.cpp index c6ba478dcb..e673f7fe53 100644 --- a/src/compute_ke.cpp +++ b/src/compute_ke.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_ke.h" -#include + #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index 930f979bf0..d23c389ab6 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "compute_msd.h" -#include + #include -#include + #include "atom.h" #include "update.h" #include "group.h" @@ -22,7 +22,7 @@ #include "modify.h" #include "fix_store.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/compute_msd_chunk.cpp b/src/compute_msd_chunk.cpp index dda921ef42..b0e2520f99 100644 --- a/src/compute_msd_chunk.cpp +++ b/src/compute_msd_chunk.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "compute_msd_chunk.h" -#include + #include -#include + #include "atom.h" #include "group.h" #include "update.h" @@ -24,7 +24,7 @@ #include "fix_store.h" #include "memory.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/compute_omega_chunk.cpp b/src/compute_omega_chunk.cpp index 327c64493f..4151b2cdb8 100644 --- a/src/compute_omega_chunk.cpp +++ b/src/compute_omega_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_omega_chunk.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp index ade9f7615e..84ae20e92a 100644 --- a/src/compute_orientorder_atom.cpp +++ b/src/compute_orientorder_atom.cpp @@ -17,22 +17,22 @@ ------------------------------------------------------------------------- */ #include "compute_orientorder_atom.h" -#include -#include -#include + #include "atom.h" -#include "update.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "math_const.h" +#include "memory.h" #include "modify.h" -#include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" -#include "force.h" +#include "neighbor.h" #include "pair.h" -#include "comm.h" -#include "memory.h" -#include "error.h" -#include "math_const.h" -#include "fmt/format.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/compute_pair.cpp b/src/compute_pair.cpp index 054a50bed4..7ace5615a7 100644 --- a/src/compute_pair.cpp +++ b/src/compute_pair.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pair.h" -#include + #include #include #include "update.h" diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index 2018d929f3..e41221f70b 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -12,18 +12,19 @@ ------------------------------------------------------------------------- */ #include "compute_pair_local.h" + +#include "atom.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "pair.h" +#include "update.h" + #include #include -#include -#include "atom.h" -#include "update.h" -#include "force.h" -#include "pair.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" using namespace LAMMPS_NS; diff --git a/src/compute_pe.cpp b/src/compute_pe.cpp index 379de0f9de..d9ed312328 100644 --- a/src/compute_pe.cpp +++ b/src/compute_pe.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pe.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 4712c83461..b57b53f522 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_pressure.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_property_chunk.cpp b/src/compute_property_chunk.cpp index 579c7cae3f..c27cfc4096 100644 --- a/src/compute_property_chunk.cpp +++ b/src/compute_property_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_property_chunk.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index 920228e056..a28223b3a7 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_rdf.h" -#include + #include #include #include "atom.h" @@ -32,7 +32,7 @@ #include "memory.h" #include "error.h" #include "comm.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index d4730c1de0..b024b4365c 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "compute_reduce.h" -#include + #include -#include + #include "atom.h" #include "update.h" #include "domain.h" @@ -25,7 +25,7 @@ #include "variable.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/compute_reduce.h b/src/compute_reduce.h index 9701f0e61e..00c1a9a6b9 100644 --- a/src/compute_reduce.h +++ b/src/compute_reduce.h @@ -20,7 +20,7 @@ ComputeStyle(reduce,ComputeReduce) #ifndef LMP_COMPUTE_REDUCE_H #define LMP_COMPUTE_REDUCE_H -#include "compute.h" +#include "compute.h" // IWYU pragma: export namespace LAMMPS_NS { diff --git a/src/compute_reduce_chunk.cpp b/src/compute_reduce_chunk.cpp index cd64c8cb1b..6e8aa48410 100644 --- a/src/compute_reduce_chunk.cpp +++ b/src/compute_reduce_chunk.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "compute_reduce_chunk.h" -#include + #include -#include + #include "atom.h" #include "update.h" #include "modify.h" @@ -25,7 +25,7 @@ #include "variable.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp index 9074124a61..8153618a88 100644 --- a/src/compute_reduce_region.cpp +++ b/src/compute_reduce_region.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_reduce_region.h" -#include + #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_slice.cpp b/src/compute_slice.cpp index 6ff462258f..ca4b735d6e 100644 --- a/src/compute_slice.cpp +++ b/src/compute_slice.cpp @@ -12,17 +12,16 @@ ------------------------------------------------------------------------- */ #include "compute_slice.h" -#include -#include -#include -#include "update.h" -#include "modify.h" + +#include "error.h" #include "fix.h" #include "input.h" -#include "variable.h" #include "memory.h" -#include "error.h" -#include "force.h" +#include "modify.h" +#include "update.h" +#include "variable.h" + +#include using namespace LAMMPS_NS; diff --git a/src/compute_temp.cpp b/src/compute_temp.cpp index 402b84bb4b..6af5d2b86c 100644 --- a/src/compute_temp.cpp +++ b/src/compute_temp.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp.h" -#include + #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_chunk.cpp b/src/compute_temp_chunk.cpp index 6274ac4292..54f0529006 100644 --- a/src/compute_temp_chunk.cpp +++ b/src/compute_temp_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_chunk.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_temp_com.cpp b/src/compute_temp_com.cpp index dc12e8f6db..f69eaadf2b 100644 --- a/src/compute_temp_com.cpp +++ b/src/compute_temp_com.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_com.h" -#include + #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_deform.cpp b/src/compute_temp_deform.cpp index 7d81a84bc4..b50962a2c6 100644 --- a/src/compute_temp_deform.cpp +++ b/src/compute_temp_deform.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_deform.h" -#include + #include #include "domain.h" #include "atom.h" diff --git a/src/compute_temp_partial.cpp b/src/compute_temp_partial.cpp index c78e830c95..85e51d2a5d 100644 --- a/src/compute_temp_partial.cpp +++ b/src/compute_temp_partial.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_partial.h" -#include + #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_profile.cpp b/src/compute_temp_profile.cpp index c2ef1d5c11..eacca87e19 100644 --- a/src/compute_temp_profile.cpp +++ b/src/compute_temp_profile.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_profile.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_temp_ramp.cpp b/src/compute_temp_ramp.cpp index 187ea2454c..3874c1f286 100644 --- a/src/compute_temp_ramp.cpp +++ b/src/compute_temp_ramp.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_ramp.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_temp_region.cpp b/src/compute_temp_region.cpp index 4c0b925eb6..74955da421 100644 --- a/src/compute_temp_region.cpp +++ b/src/compute_temp_region.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_region.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp index 786ef523ad..6ef3038d68 100644 --- a/src/compute_temp_sphere.cpp +++ b/src/compute_temp_sphere.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_temp_sphere.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_torque_chunk.cpp b/src/compute_torque_chunk.cpp index 35eef8fe10..c0b648418b 100644 --- a/src/compute_torque_chunk.cpp +++ b/src/compute_torque_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_torque_chunk.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/compute_vacf.cpp b/src/compute_vacf.cpp index ec19137a0e..635c3e4161 100644 --- a/src/compute_vacf.cpp +++ b/src/compute_vacf.cpp @@ -12,16 +12,16 @@ ------------------------------------------------------------------------- */ #include "compute_vacf.h" -#include + #include -#include + #include "atom.h" #include "update.h" #include "group.h" #include "modify.h" #include "fix_store.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/compute_vcm_chunk.cpp b/src/compute_vcm_chunk.cpp index b0a8dbeee7..6651110e77 100644 --- a/src/compute_vcm_chunk.cpp +++ b/src/compute_vcm_chunk.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "compute_vcm_chunk.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp index 7dcc4748e9..8baee645cf 100644 --- a/src/delete_atoms.cpp +++ b/src/delete_atoms.cpp @@ -12,33 +12,30 @@ ------------------------------------------------------------------------- */ #include "delete_atoms.h" -#include -#include -#include + #include "atom.h" #include "atom_vec.h" +#include "atom_vec_body.h" #include "atom_vec_ellipsoid.h" #include "atom_vec_line.h" #include "atom_vec_tri.h" -#include "atom_vec_body.h" -#include "molecule.h" #include "comm.h" #include "domain.h" +#include "error.h" #include "force.h" #include "group.h" -#include "region.h" +#include "memory.h" #include "modify.h" -#include "neighbor.h" +#include "molecule.h" #include "neigh_list.h" #include "neigh_request.h" +#include "neighbor.h" #include "random_mars.h" -#include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "region.h" +#include #include -#include +#include using namespace LAMMPS_NS; diff --git a/src/delete_bonds.cpp b/src/delete_bonds.cpp index f08c94a273..b8ec5f7883 100644 --- a/src/delete_bonds.cpp +++ b/src/delete_bonds.cpp @@ -12,20 +12,17 @@ ------------------------------------------------------------------------- */ #include "delete_bonds.h" -#include -#include -#include -#include + #include "atom.h" #include "atom_vec.h" -#include "domain.h" #include "comm.h" +#include "domain.h" +#include "error.h" #include "force.h" #include "group.h" #include "special.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" + +#include using namespace LAMMPS_NS; diff --git a/src/deprecated.cpp b/src/deprecated.cpp index dc0ab400d4..ab9cc8cf44 100644 --- a/src/deprecated.cpp +++ b/src/deprecated.cpp @@ -16,11 +16,10 @@ ------------------------------------------------------------------------- */ #include "deprecated.h" -#include + #include "comm.h" #include "error.h" #include "input.h" -#include "utils.h" using namespace LAMMPS_NS; diff --git a/src/dihedral_deprecated.cpp b/src/dihedral_deprecated.cpp index 1709f7d3d7..91ef3e8e9e 100644 --- a/src/dihedral_deprecated.cpp +++ b/src/dihedral_deprecated.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #include "dihedral_deprecated.h" -#include -#include "dihedral_hybrid.h" + #include "comm.h" -#include "force.h" +#include "dihedral_hybrid.h" #include "error.h" -#include "utils.h" +#include "force.h" + using namespace LAMMPS_NS; diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp index 8f41b30d56..61e0fdc72a 100644 --- a/src/dihedral_hybrid.cpp +++ b/src/dihedral_hybrid.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "dihedral_hybrid.h" -#include + #include #include #include "atom.h" @@ -21,7 +21,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/dihedral_zero.cpp b/src/dihedral_zero.cpp index 59167ca30e..9570590c09 100644 --- a/src/dihedral_zero.cpp +++ b/src/dihedral_zero.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #include "dihedral_zero.h" -#include + #include "atom.h" -#include "force.h" -#include "memory.h" #include "error.h" -#include "utils.h" +#include "memory.h" + +#include using namespace LAMMPS_NS; diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp index a30ac2c2b2..018288d470 100644 --- a/src/displace_atoms.cpp +++ b/src/displace_atoms.cpp @@ -12,30 +12,28 @@ ------------------------------------------------------------------------- */ #include "displace_atoms.h" -#include -#include -#include + #include "atom.h" -#include "modify.h" -#include "domain.h" -#include "lattice.h" -#include "comm.h" -#include "irregular.h" -#include "group.h" -#include "math_const.h" -#include "random_park.h" -#include "force.h" -#include "input.h" -#include "variable.h" +#include "atom_vec_body.h" #include "atom_vec_ellipsoid.h" #include "atom_vec_line.h" #include "atom_vec_tri.h" -#include "atom_vec_body.h" +#include "comm.h" +#include "domain.h" +#include "error.h" +#include "group.h" +#include "input.h" +#include "irregular.h" +#include "lattice.h" +#include "math_const.h" #include "math_extra.h" #include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "modify.h" +#include "random_park.h" +#include "variable.h" + +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/domain.cpp b/src/domain.cpp index 81de88d1ee..f54df1f382 100644 --- a/src/domain.cpp +++ b/src/domain.cpp @@ -16,30 +16,28 @@ ------------------------------------------------------------------------- */ #include "domain.h" -#include -#include -#include -#include -#include "style_region.h" + #include "atom.h" #include "atom_vec.h" -#include "molecule.h" -#include "force.h" -#include "kspace.h" -#include "update.h" -#include "modify.h" +#include "comm.h" +#include "error.h" #include "fix.h" #include "fix_deform.h" -#include "region.h" +#include "force.h" +#include "kspace.h" #include "lattice.h" -#include "comm.h" +#include "memory.h" +#include "modify.h" +#include "molecule.h" #include "output.h" +#include "region.h" +#include "style_region.h" #include "thermo.h" #include "universe.h" -#include "memory.h" -#include "error.h" -#include "utils.h" -#include "fmt/format.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/domain.h b/src/domain.h index 58b935ce01..f3c8026e72 100644 --- a/src/domain.h +++ b/src/domain.h @@ -14,10 +14,10 @@ #ifndef LMP_DOMAIN_H #define LMP_DOMAIN_H +#include "pointers.h" + #include #include -#include -#include "pointers.h" namespace LAMMPS_NS { diff --git a/src/dump.cpp b/src/dump.cpp index 0698a84e81..ecb87b79fd 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -12,21 +12,21 @@ ------------------------------------------------------------------------- */ #include "dump.h" -#include -#include + #include "atom.h" #include "irregular.h" #include "update.h" #include "domain.h" #include "group.h" #include "output.h" -#include "force.h" #include "modify.h" #include "fix.h" #include "compute.h" #include "memory.h" #include "error.h" +#include + using namespace LAMMPS_NS; #if defined(LMP_QSORT) diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 3b0594a2cb..167d88789c 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -12,25 +12,22 @@ ------------------------------------------------------------------------- */ #include "dump_custom.h" -#include -#include -#include + #include "atom.h" -#include "force.h" -#include "domain.h" -#include "region.h" -#include "group.h" -#include "input.h" -#include "modify.h" #include "compute.h" +#include "domain.h" +#include "error.h" #include "fix.h" #include "fix_store.h" +#include "group.h" +#include "input.h" #include "memory.h" -#include "error.h" +#include "modify.h" +#include "region.h" #include "update.h" #include "variable.h" -#include "utils.h" -#include "fmt/format.h" + +#include using namespace LAMMPS_NS; diff --git a/src/dump_deprecated.cpp b/src/dump_deprecated.cpp index 822bed7832..ed8336eebc 100644 --- a/src/dump_deprecated.cpp +++ b/src/dump_deprecated.cpp @@ -12,10 +12,9 @@ ------------------------------------------------------------------------- */ #include "dump_deprecated.h" -#include + #include "comm.h" #include "error.h" -#include "utils.h" using namespace LAMMPS_NS; diff --git a/src/dump_image.cpp b/src/dump_image.cpp index ea9fb612cb..96a338950b 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "dump_image.h" -#include + #include #include #include @@ -35,7 +35,7 @@ #include "math_extra.h" #include "error.h" #include "memory.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/dump_local.cpp b/src/dump_local.cpp index 666a7773bd..6f824e5559 100644 --- a/src/dump_local.cpp +++ b/src/dump_local.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "dump_local.h" -#include + #include -#include + #include "modify.h" #include "fix.h" #include "compute.h" @@ -24,7 +24,7 @@ #include "memory.h" #include "error.h" #include "force.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/dump_movie.cpp b/src/dump_movie.cpp index 4966310470..a37341a15c 100644 --- a/src/dump_movie.cpp +++ b/src/dump_movie.cpp @@ -20,7 +20,7 @@ #include "comm.h" #include "force.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index c07b225f9d..dba4fde077 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -30,8 +30,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp index d5c1bbef29..08025b8392 100644 --- a/src/fix_addforce.cpp +++ b/src/fix_addforce.cpp @@ -12,9 +12,9 @@ ------------------------------------------------------------------------- */ #include "fix_addforce.h" -#include + #include -#include + #include "atom.h" #include "atom_masks.h" #include "update.h" diff --git a/src/fix_ave_atom.cpp b/src/fix_ave_atom.cpp index a8d78f14e7..838d2487b2 100644 --- a/src/fix_ave_atom.cpp +++ b/src/fix_ave_atom.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_ave_atom.h" -#include + #include #include "atom.h" #include "update.h" @@ -23,7 +23,7 @@ #include "memory.h" #include "error.h" #include "force.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp index dd753ddc2d..18fb335279 100644 --- a/src/fix_ave_chunk.cpp +++ b/src/fix_ave_chunk.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include "fix_ave_chunk.h" -#include -#include + + #include #include #include "atom.h" @@ -27,8 +27,8 @@ #include "variable.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp index 293b7fc296..92a01932e7 100644 --- a/src/fix_ave_correlate.cpp +++ b/src/fix_ave_correlate.cpp @@ -18,8 +18,8 @@ ------------------------------------------------------------------------- */ #include "fix_ave_correlate.h" -#include -#include + + #include #include #include "update.h" @@ -30,8 +30,8 @@ #include "memory.h" #include "error.h" #include "force.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp index 091ec19fff..790fb9a1d4 100644 --- a/src/fix_ave_histo.cpp +++ b/src/fix_ave_histo.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include "fix_ave_histo.h" -#include -#include + + #include #include #include "atom.h" @@ -25,8 +25,8 @@ #include "memory.h" #include "error.h" #include "force.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_ave_histo_weight.cpp b/src/fix_ave_histo_weight.cpp index 4b86681153..5e93df0313 100644 --- a/src/fix_ave_histo_weight.cpp +++ b/src/fix_ave_histo_weight.cpp @@ -15,7 +15,7 @@ Contributing author: Shawn Coleman (ARL) ------------------------------------------------------------------------- */ #include "fix_ave_histo_weight.h" -#include + #include #include "fix.h" #include "atom.h" diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp index 4cc8cc3d3d..e83a3f60f5 100644 --- a/src/fix_ave_time.cpp +++ b/src/fix_ave_time.cpp @@ -16,8 +16,8 @@ ------------------------------------------------------------------------- */ #include "fix_ave_time.h" -#include -#include + + #include #include #include "update.h" @@ -28,8 +28,8 @@ #include "variable.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_aveforce.cpp b/src/fix_aveforce.cpp index b5b2527e25..7b8dc28cb3 100644 --- a/src/fix_aveforce.cpp +++ b/src/fix_aveforce.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_aveforce.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp index 39760e9479..5fd9ef190e 100644 --- a/src/fix_box_relax.cpp +++ b/src/fix_box_relax.cpp @@ -18,7 +18,7 @@ #include "fix_box_relax.h" #include #include -#include + #include "atom.h" #include "domain.h" #include "update.h" @@ -29,7 +29,7 @@ #include "compute.h" #include "error.h" #include "math_extra.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_controller.cpp b/src/fix_controller.cpp index 4b12c393cb..190a8bcd7d 100644 --- a/src/fix_controller.cpp +++ b/src/fix_controller.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_controller.h" -#include + #include #include "force.h" #include "update.h" diff --git a/src/fix_deprecated.cpp b/src/fix_deprecated.cpp index d3ceb69ea0..877eac0524 100644 --- a/src/fix_deprecated.cpp +++ b/src/fix_deprecated.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include "fix_deprecated.h" -#include + #include "comm.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/fix_drag.cpp b/src/fix_drag.cpp index 5b74b75fcd..25e21c5ee1 100644 --- a/src/fix_drag.cpp +++ b/src/fix_drag.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_drag.h" -#include + #include #include #include "atom.h" diff --git a/src/fix_dt_reset.cpp b/src/fix_dt_reset.cpp index 8fb4f0cdfc..360f0d2998 100644 --- a/src/fix_dt_reset.cpp +++ b/src/fix_dt_reset.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_dt_reset.h" -#include + #include #include #include "atom.h" diff --git a/src/fix_enforce2d.cpp b/src/fix_enforce2d.cpp index 7dd8c08204..be2a74d81b 100644 --- a/src/fix_enforce2d.cpp +++ b/src/fix_enforce2d.cpp @@ -19,7 +19,7 @@ #include "modify.h" #include "respa.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_gravity.cpp b/src/fix_gravity.cpp index 82b8311968..88ce2faaad 100644 --- a/src/fix_gravity.cpp +++ b/src/fix_gravity.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_gravity.h" -#include + #include #include #include "atom.h" diff --git a/src/fix_halt.cpp b/src/fix_halt.cpp index cf39ba61e2..39591cd5f1 100644 --- a/src/fix_halt.cpp +++ b/src/fix_halt.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include "fix_halt.h" -#include + #include #include -#include + #include "update.h" #include "force.h" #include "input.h" @@ -26,7 +26,7 @@ #include "comm.h" #include "timer.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_heat.cpp b/src/fix_heat.cpp index 7fbdd24b4c..e2eb399322 100644 --- a/src/fix_heat.cpp +++ b/src/fix_heat.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_heat.h" -#include + #include #include #include "atom.h" diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp index dcddad95b2..f42e0a527b 100644 --- a/src/fix_indent.cpp +++ b/src/fix_indent.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_indent.h" -#include + #include #include #include "atom.h" diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index 81c186c703..9d0b5f28f1 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -20,7 +20,7 @@ ------------------------------------------------------------------------- */ #include "fix_langevin.h" -#include + #include #include #include "math_extra.h" @@ -38,7 +38,7 @@ #include "memory.h" #include "error.h" #include "group.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_momentum.cpp b/src/fix_momentum.cpp index c1056d2b16..4af2ed3961 100644 --- a/src/fix_momentum.cpp +++ b/src/fix_momentum.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_momentum.h" -#include + #include #include #include "atom.h" diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp index d951a924fe..43415a6ef5 100644 --- a/src/fix_neigh_history.cpp +++ b/src/fix_neigh_history.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_neigh_history.h" -#include + #include #include "my_page.h" #include "atom.h" diff --git a/src/fix_nph.cpp b/src/fix_nph.cpp index 9251ce384e..f4ff71d3a3 100644 --- a/src/fix_nph.cpp +++ b/src/fix_nph.cpp @@ -13,7 +13,7 @@ #include "fix_nph.h" #include -#include + #include "modify.h" #include "error.h" diff --git a/src/fix_nph_sphere.cpp b/src/fix_nph_sphere.cpp index cf2298f5f8..b49eb0c5c5 100644 --- a/src/fix_nph_sphere.cpp +++ b/src/fix_nph_sphere.cpp @@ -13,7 +13,7 @@ #include "fix_nph_sphere.h" #include -#include + #include "modify.h" #include "error.h" diff --git a/src/fix_npt.cpp b/src/fix_npt.cpp index 6949ead1d6..f6ec24991b 100644 --- a/src/fix_npt.cpp +++ b/src/fix_npt.cpp @@ -13,7 +13,7 @@ #include "fix_npt.h" #include -#include + #include "modify.h" #include "error.h" diff --git a/src/fix_npt_sphere.cpp b/src/fix_npt_sphere.cpp index e38d88fadd..1bd879c786 100644 --- a/src/fix_npt_sphere.cpp +++ b/src/fix_npt_sphere.cpp @@ -13,7 +13,7 @@ #include "fix_npt_sphere.h" #include -#include + #include "modify.h" #include "error.h" diff --git a/src/fix_numdiff.cpp b/src/fix_numdiff.cpp index f6d064b794..145d60e8df 100644 --- a/src/fix_numdiff.cpp +++ b/src/fix_numdiff.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_numdiff.h" -#include + #include #include "atom.h" #include "domain.h" diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp index 83a6af5d0c..ed79c6b21b 100644 --- a/src/fix_nve_limit.cpp +++ b/src/fix_nve_limit.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_nve_limit.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "modify.h" #include "comm.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_nvt.cpp b/src/fix_nvt.cpp index 7868693b69..f7a53cf382 100644 --- a/src/fix_nvt.cpp +++ b/src/fix_nvt.cpp @@ -13,11 +13,11 @@ #include "fix_nvt.h" #include -#include + #include "group.h" #include "modify.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_nvt_sllod.cpp b/src/fix_nvt_sllod.cpp index ccf7aaecaf..3cc88772d7 100644 --- a/src/fix_nvt_sllod.cpp +++ b/src/fix_nvt_sllod.cpp @@ -26,7 +26,7 @@ #include "fix_deform.h" #include "compute.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_nvt_sphere.cpp b/src/fix_nvt_sphere.cpp index 40c3ba19e3..7c4159455f 100644 --- a/src/fix_nvt_sphere.cpp +++ b/src/fix_nvt_sphere.cpp @@ -13,11 +13,11 @@ #include "fix_nvt_sphere.h" #include -#include + #include "group.h" #include "modify.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_press_berendsen.cpp b/src/fix_press_berendsen.cpp index a430130fe4..a90bf86c56 100644 --- a/src/fix_press_berendsen.cpp +++ b/src/fix_press_berendsen.cpp @@ -14,7 +14,7 @@ #include "fix_press_berendsen.h" #include #include -#include + #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/fix_print.cpp b/src/fix_print.cpp index 8964a9ba82..017ae48925 100644 --- a/src/fix_print.cpp +++ b/src/fix_print.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_print.h" -#include + #include #include "update.h" #include "input.h" @@ -21,8 +21,8 @@ #include "memory.h" #include "error.h" #include "force.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index 374d0069fd..07108721c4 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -12,14 +12,14 @@ ------------------------------------------------------------------------- */ #include "fix_property_atom.h" -#include + #include #include "atom.h" #include "comm.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp index 305ee0ea26..4f675bf7bf 100644 --- a/src/fix_restrain.cpp +++ b/src/fix_restrain.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_restrain.h" -#include + #include #include #include "atom.h" @@ -29,7 +29,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_setforce.cpp b/src/fix_setforce.cpp index 1a3158ed4c..329edbd6ef 100644 --- a/src/fix_setforce.cpp +++ b/src/fix_setforce.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_setforce.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp index fef7e2086c..112b675826 100644 --- a/src/fix_spring_self.cpp +++ b/src/fix_spring_self.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "fix_spring_self.h" -#include + #include #include "atom.h" #include "update.h" diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index 60a1a70037..e18317ba03 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_store_state.h" -#include + #include #include "atom.h" #include "domain.h" diff --git a/src/fix_temp_berendsen.cpp b/src/fix_temp_berendsen.cpp index 5016b8c343..ec2965d072 100644 --- a/src/fix_temp_berendsen.cpp +++ b/src/fix_temp_berendsen.cpp @@ -13,7 +13,7 @@ #include "fix_temp_berendsen.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -25,7 +25,7 @@ #include "modify.h" #include "compute.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_temp_csld.cpp b/src/fix_temp_csld.cpp index 5a7b9a04db..cf7e9e9fe2 100644 --- a/src/fix_temp_csld.cpp +++ b/src/fix_temp_csld.cpp @@ -17,7 +17,7 @@ #include "fix_temp_csld.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -31,7 +31,7 @@ #include "compute.h" #include "random_mars.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_temp_csvr.cpp b/src/fix_temp_csvr.cpp index 72e4dd635d..c620905102 100644 --- a/src/fix_temp_csvr.cpp +++ b/src/fix_temp_csvr.cpp @@ -17,10 +17,10 @@ ------------------------------------------------------------------------- */ #include "fix_temp_csvr.h" -#include + #include #include -#include + #include "atom.h" #include "force.h" #include "comm.h" @@ -32,7 +32,7 @@ #include "compute.h" #include "random_mars.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_temp_rescale.cpp b/src/fix_temp_rescale.cpp index e575d72f7f..b5cb9c9a1b 100644 --- a/src/fix_temp_rescale.cpp +++ b/src/fix_temp_rescale.cpp @@ -13,7 +13,7 @@ #include "fix_temp_rescale.h" #include -#include + #include #include "atom.h" #include "force.h" @@ -25,7 +25,7 @@ #include "modify.h" #include "compute.h" #include "error.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp index 98fb373075..12e36d890e 100644 --- a/src/fix_tmd.cpp +++ b/src/fix_tmd.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "fix_tmd.h" -#include + #include #include #include "atom.h" @@ -29,8 +29,8 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_vector.cpp b/src/fix_vector.cpp index 48f14f5e2f..8af098d66f 100644 --- a/src/fix_vector.cpp +++ b/src/fix_vector.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_vector.h" -#include + #include #include "update.h" #include "force.h" diff --git a/src/fix_wall.cpp b/src/fix_wall.cpp index 0c343938ab..e2237d074d 100644 --- a/src/fix_wall.cpp +++ b/src/fix_wall.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_wall.h" -#include + #include #include "input.h" #include "variable.h" @@ -23,7 +23,7 @@ #include "respa.h" #include "error.h" #include "force.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/fix_wall_region.cpp b/src/fix_wall_region.cpp index e60b3b4aad..76b2cd11fa 100644 --- a/src/fix_wall_region.cpp +++ b/src/fix_wall_region.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_wall_region.h" -#include + #include #include #include "atom.h" diff --git a/src/improper_deprecated.cpp b/src/improper_deprecated.cpp index 0c1a45603e..431cc03997 100644 --- a/src/improper_deprecated.cpp +++ b/src/improper_deprecated.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #include "improper_deprecated.h" -#include + #include "improper_hybrid.h" #include "comm.h" #include "force.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/improper_hybrid.cpp b/src/improper_hybrid.cpp index ce0f36539f..096e0c3614 100644 --- a/src/improper_hybrid.cpp +++ b/src/improper_hybrid.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "improper_hybrid.h" -#include + #include #include #include "atom.h" @@ -21,7 +21,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/improper_zero.cpp b/src/improper_zero.cpp index f269f8bf03..11c9257ec9 100644 --- a/src/improper_zero.cpp +++ b/src/improper_zero.cpp @@ -21,7 +21,7 @@ #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/lmptype.h b/src/lmptype.h index e2e7a88a42..e0e081dd12 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -42,10 +42,10 @@ #define __STDC_FORMAT_MACROS #endif -#include -#include -#include -#include +#include // IWYU pragma: export +#include // IWYU pragma: export +#include // IWYU pragma: export +#include // IWYU pragma: export // grrr - IBM Power6 does not provide this def in their system header files diff --git a/src/pair_beck.cpp b/src/pair_beck.cpp index a858f87910..87aa0bab5f 100644 --- a/src/pair_beck.cpp +++ b/src/pair_beck.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_beck.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "memory.h" #include "error.h" #include "math_special.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/pair_born.cpp b/src/pair_born.cpp index ca0ab9a17b..5b0d3a6562 100644 --- a/src/pair_born.cpp +++ b/src/pair_born.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_born.h" -#include + #include #include #include "atom.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_born_coul_dsf.cpp b/src/pair_born_coul_dsf.cpp index 1a6b12a345..e4617b5c4b 100644 --- a/src/pair_born_coul_dsf.cpp +++ b/src/pair_born_coul_dsf.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_born_coul_dsf.h" -#include + #include #include "atom.h" #include "comm.h" @@ -28,7 +28,7 @@ #include "memory.h" #include "error.h" #include "math_special.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp index 4c51b0bb9f..30fe8fcde9 100644 --- a/src/pair_born_coul_wolf.cpp +++ b/src/pair_born_coul_wolf.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_born_coul_wolf.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_buck.cpp b/src/pair_buck.cpp index 91071fccb1..1abdbcc68b 100644 --- a/src/pair_buck.cpp +++ b/src/pair_buck.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_buck.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp index 6141205db0..9fac17aede 100644 --- a/src/pair_buck_coul_cut.cpp +++ b/src/pair_buck_coul_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_buck_coul_cut.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp index d19374b5d9..67c471a5e3 100644 --- a/src/pair_coul_cut.cpp +++ b/src/pair_coul_cut.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_cut.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_coul_debye.cpp b/src/pair_coul_debye.cpp index 2a3def0d4f..2093718245 100644 --- a/src/pair_coul_debye.cpp +++ b/src/pair_coul_debye.cpp @@ -12,14 +12,14 @@ ------------------------------------------------------------------------- */ #include "pair_coul_debye.h" -#include + #include #include "atom.h" #include "comm.h" #include "force.h" #include "neigh_list.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp index 2f1a834060..ee124c7f59 100644 --- a/src/pair_coul_dsf.cpp +++ b/src/pair_coul_dsf.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_dsf.h" -#include + #include #include #include "atom.h" @@ -28,7 +28,7 @@ #include "memory.h" #include "math_const.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_coul_streitz.cpp b/src/pair_coul_streitz.cpp index efe8d46017..f98b84417a 100644 --- a/src/pair_coul_streitz.cpp +++ b/src/pair_coul_streitz.cpp @@ -16,9 +16,9 @@ ------------------------------------------------------------------------- */ #include "pair_coul_streitz.h" -#include + #include -#include + #include #include "atom.h" #include "comm.h" @@ -30,8 +30,8 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" -#include "fmt/format.h" + + #include "potential_file_reader.h" using namespace LAMMPS_NS; diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp index e94c4abb73..e3079dcaf6 100644 --- a/src/pair_coul_wolf.cpp +++ b/src/pair_coul_wolf.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_coul_wolf.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_deprecated.cpp b/src/pair_deprecated.cpp index 75cb7efcdf..046726892e 100644 --- a/src/pair_deprecated.cpp +++ b/src/pair_deprecated.cpp @@ -16,12 +16,12 @@ ------------------------------------------------------------------------- */ #include "pair_deprecated.h" -#include + #include "pair_hybrid.h" #include "comm.h" #include "force.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp index 613ad90cc3..d0d9b98fc9 100644 --- a/src/pair_dpd.cpp +++ b/src/pair_dpd.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_dpd.h" -#include + #include #include "atom.h" #include "comm.h" @@ -27,7 +27,7 @@ #include "random_mars.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_dpd_tstat.cpp b/src/pair_dpd_tstat.cpp index 3f3f05f7f5..dd0e144953 100644 --- a/src/pair_dpd_tstat.cpp +++ b/src/pair_dpd_tstat.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_dpd_tstat.h" -#include + #include #include "atom.h" #include "update.h" @@ -21,7 +21,7 @@ #include "comm.h" #include "random_mars.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_gauss.cpp b/src/pair_gauss.cpp index d8b8e36b8c..6732296764 100644 --- a/src/pair_gauss.cpp +++ b/src/pair_gauss.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_gauss.h" -#include + #include #include #include "atom.h" @@ -25,7 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 693ed7fa24..0b1882f12b 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -13,7 +13,7 @@ ------------------------------------------------------------------------- */ #include "pair_hybrid.h" -#include + #include #include #include "atom.h" @@ -26,9 +26,9 @@ #include "memory.h" #include "error.h" #include "respa.h" -#include "utils.h" + #include "suffix.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/pair_hybrid_overlay.cpp b/src/pair_hybrid_overlay.cpp index dc8ac65dd4..e85973ed6a 100644 --- a/src/pair_hybrid_overlay.cpp +++ b/src/pair_hybrid_overlay.cpp @@ -17,7 +17,7 @@ #include "atom.h" #include "force.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp index c60908e8cf..a4ba3b8585 100644 --- a/src/pair_lj96_cut.cpp +++ b/src/pair_lj96_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj96_cut.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_lj_cubic.cpp b/src/pair_lj_cubic.cpp index 833c954330..b6c91cafe2 100644 --- a/src/pair_lj_cubic.cpp +++ b/src/pair_lj_cubic.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cubic.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace PairLJCubicConstants; diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp index fedf029fb8..bd42801f3b 100644 --- a/src/pair_lj_cut.cpp +++ b/src/pair_lj_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp index a11de35c53..669d48c860 100644 --- a/src/pair_lj_cut_coul_cut.cpp +++ b/src/pair_lj_cut_coul_cut.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_cut.h" -#include + #include #include #include "atom.h" @@ -23,7 +23,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_lj_cut_coul_debye.cpp b/src/pair_lj_cut_coul_debye.cpp index 2d4b0bbe98..3ddb898c8f 100644 --- a/src/pair_lj_cut_coul_debye.cpp +++ b/src/pair_lj_cut_coul_debye.cpp @@ -12,14 +12,14 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_debye.h" -#include + #include #include "atom.h" #include "neigh_list.h" #include "force.h" #include "comm.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp index 2d9368a0ca..952a140039 100644 --- a/src/pair_lj_cut_coul_dsf.cpp +++ b/src/pair_lj_cut_coul_dsf.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_dsf.h" -#include + #include #include #include "atom.h" @@ -28,7 +28,7 @@ #include "memory.h" #include "math_const.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp index c6fa33f03c..749cc9e6a9 100644 --- a/src/pair_lj_cut_coul_wolf.cpp +++ b/src/pair_lj_cut_coul_wolf.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_wolf.h" -#include + #include #include "atom.h" #include "comm.h" @@ -26,7 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp index 1063d05672..3f711e2a15 100644 --- a/src/pair_lj_expand.cpp +++ b/src/pair_lj_expand.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_expand.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp index b7e3516ec3..0818c60f31 100644 --- a/src/pair_lj_gromacs.cpp +++ b/src/pair_lj_gromacs.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_gromacs.h" -#include + #include #include "atom.h" #include "comm.h" @@ -24,7 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index 37837b695f..005bc44061 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_gromacs_coul_gromacs.h" -#include + #include #include "atom.h" #include "comm.h" @@ -25,7 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp index 5c6bc671f9..a53d703b8b 100644 --- a/src/pair_lj_smooth.cpp +++ b/src/pair_lj_smooth.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_smooth.h" -#include + #include #include "atom.h" #include "comm.h" @@ -24,7 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp index 14646f19f2..3697208d42 100644 --- a/src/pair_lj_smooth_linear.cpp +++ b/src/pair_lj_smooth_linear.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_lj_smooth_linear.h" -#include + #include #include "atom.h" #include "comm.h" @@ -24,7 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index f838d96145..7447e143f7 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -16,7 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_mie_cut.h" -#include + #include #include #include "atom.h" @@ -30,7 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp index cbfaccab2c..efcc1aa811 100644 --- a/src/pair_morse.cpp +++ b/src/pair_morse.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_morse.h" -#include + #include #include #include "atom.h" @@ -21,7 +21,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp index 4d3702313e..f3dd139b69 100644 --- a/src/pair_soft.cpp +++ b/src/pair_soft.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_soft.h" -#include + #include #include #include "atom.h" @@ -22,7 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/pair_table.cpp b/src/pair_table.cpp index 4aec954c38..1711465ffa 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -16,21 +16,21 @@ ------------------------------------------------------------------------- */ #include "pair_table.h" -#include + #include -#include + #include -#include + #include "atom.h" #include "force.h" #include "comm.h" #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + #include "tokenizer.h" #include "table_file_reader.h" -#include "fmt/format.h" + using namespace LAMMPS_NS; diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp index fd700e9886..50cc87cf96 100644 --- a/src/pair_ufm.cpp +++ b/src/pair_ufm.cpp @@ -18,7 +18,7 @@ ------------------------------------------------------------------------- */ #include "pair_ufm.h" -#include + #include #include #include "atom.h" @@ -27,7 +27,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp index b746204892..6429492346 100644 --- a/src/pair_yukawa.cpp +++ b/src/pair_yukawa.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "pair_yukawa.h" -#include + #include #include "atom.h" #include "force.h" @@ -20,7 +20,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp index d78c156935..68c63c9806 100644 --- a/src/pair_zbl.cpp +++ b/src/pair_zbl.cpp @@ -24,7 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" -#include "utils.h" + // From J.F. Zeigler, J. P. Biersack and U. Littmark, // "The Stopping and Range of Ions in Matter" volume 1, Pergamon, 1985. diff --git a/src/pair_zero.cpp b/src/pair_zero.cpp index f08d919f83..b34e0b2b82 100644 --- a/src/pair_zero.cpp +++ b/src/pair_zero.cpp @@ -16,14 +16,14 @@ ------------------------------------------------------------------------- */ #include "pair_zero.h" -#include + #include #include "atom.h" #include "comm.h" #include "force.h" #include "memory.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/region_deprecated.cpp b/src/region_deprecated.cpp index afbe9e4189..137c167ab9 100644 --- a/src/region_deprecated.cpp +++ b/src/region_deprecated.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include "region_deprecated.h" -#include + #include "comm.h" #include "error.h" -#include "utils.h" + using namespace LAMMPS_NS; diff --git a/src/tokenizer.h b/src/tokenizer.h index eb19c4421b..2db9870866 100644 --- a/src/tokenizer.h +++ b/src/tokenizer.h @@ -18,10 +18,11 @@ #ifndef LMP_TOKENIZER_H #define LMP_TOKENIZER_H -#include -#include #include "lmptype.h" -#include + +#include // IWYU pragma: export +#include // IWYU pragma: export +#include // IWYU pragma: export namespace LAMMPS_NS {