From ce6fa0118ab69fd09fa19410f6bbfec3608f0f73 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 4 Jul 2019 07:23:01 -0400 Subject: [PATCH] continuing to clean up include file lists --- src/pair_lj_cut_coul_wolf.cpp | 7 +------ src/pair_lj_expand.cpp | 3 +-- src/pair_lj_gromacs.cpp | 5 +---- src/pair_lj_gromacs_coul_gromacs.cpp | 4 +--- src/pair_lj_smooth.cpp | 3 +-- src/pair_lj_smooth_linear.cpp | 3 +-- src/pair_mie_cut.cpp | 4 +--- src/pair_morse.cpp | 3 +-- src/pair_soft.cpp | 4 +--- src/pair_table.cpp | 1 + src/pair_ufm.cpp | 10 +--------- src/pair_yukawa.cpp | 2 +- src/pair_zbl.cpp | 10 ---------- src/pair_zero.cpp | 4 +--- src/procmap.cpp | 8 +++++--- src/rcb.cpp | 1 - src/read_data.cpp | 4 ---- src/read_dump.cpp | 8 +------- src/read_restart.cpp | 2 -- src/reader.cpp | 1 - src/reader_xyz.cpp | 2 -- src/region.cpp | 1 - src/region_block.cpp | 1 - src/region_cone.cpp | 1 - src/region_cylinder.cpp | 1 - src/region_intersect.cpp | 1 - src/region_plane.cpp | 2 -- src/region_prism.cpp | 2 -- src/region_sphere.cpp | 1 - src/region_union.cpp | 1 - src/replicate.cpp | 3 +-- src/rerun.cpp | 1 - src/reset_ids.cpp | 1 + src/respa.cpp | 4 +--- src/run.cpp | 1 - src/set.cpp | 4 +--- src/special.cpp | 2 -- src/thermo.cpp | 5 ----- src/thermo.h | 3 --- 39 files changed, 23 insertions(+), 101 deletions(-) diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp index fb641f7d24..00a5832529 100644 --- a/src/pair_lj_cut_coul_wolf.cpp +++ b/src/pair_lj_cut_coul_wolf.cpp @@ -16,18 +16,13 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_wolf.h" +#include #include -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" #include "neighbor.h" #include "neigh_list.h" -#include "neigh_request.h" -#include "update.h" -#include "integrate.h" #include "math_const.h" #include "memory.h" #include "error.h" diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp index 60593fd01d..a5184bc2f5 100644 --- a/src/pair_lj_expand.cpp +++ b/src/pair_lj_expand.cpp @@ -12,9 +12,8 @@ ------------------------------------------------------------------------- */ #include "pair_lj_expand.h" +#include #include -#include -#include #include #include "atom.h" #include "comm.h" diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp index 4796c288d7..baef482ef9 100644 --- a/src/pair_lj_gromacs.cpp +++ b/src/pair_lj_gromacs.cpp @@ -16,14 +16,11 @@ ------------------------------------------------------------------------- */ #include "pair_lj_gromacs.h" +#include #include -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" #include "memory.h" #include "error.h" diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index 45beeb1daf..c62944b6a1 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -16,10 +16,8 @@ ------------------------------------------------------------------------- */ #include "pair_lj_gromacs_coul_gromacs.h" +#include #include -#include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp index d89fee1148..7c7eb51b53 100644 --- a/src/pair_lj_smooth.cpp +++ b/src/pair_lj_smooth.cpp @@ -16,9 +16,8 @@ ------------------------------------------------------------------------- */ #include "pair_lj_smooth.h" +#include #include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp index 6ed19a452f..a3e4aed2fe 100644 --- a/src/pair_lj_smooth_linear.cpp +++ b/src/pair_lj_smooth_linear.cpp @@ -16,9 +16,8 @@ ------------------------------------------------------------------------- */ #include "pair_lj_smooth_linear.h" +#include #include -#include -#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index d2b0c20cd5..46657687f6 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -16,9 +16,8 @@ ------------------------------------------------------------------------- */ #include "pair_mie_cut.h" +#include #include -#include -#include #include #include "atom.h" #include "comm.h" @@ -27,7 +26,6 @@ #include "neigh_list.h" #include "neigh_request.h" #include "update.h" -#include "integrate.h" #include "respa.h" #include "math_const.h" #include "memory.h" diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp index 47102932db..d088f98bf4 100644 --- a/src/pair_morse.cpp +++ b/src/pair_morse.cpp @@ -12,9 +12,8 @@ ------------------------------------------------------------------------- */ #include "pair_morse.h" +#include #include -#include -#include #include #include "atom.h" #include "comm.h" diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp index f3d7423b04..6f821e684b 100644 --- a/src/pair_soft.cpp +++ b/src/pair_soft.cpp @@ -12,14 +12,12 @@ ------------------------------------------------------------------------- */ #include "pair_soft.h" +#include #include -#include -#include #include #include "atom.h" #include "comm.h" #include "force.h" -#include "update.h" #include "neigh_list.h" #include "math_const.h" #include "memory.h" diff --git a/src/pair_table.cpp b/src/pair_table.cpp index 63cda78c67..9fcbc3ee9f 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -20,6 +20,7 @@ #include #include #include +#include #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp index 40b72136ff..8cc4d2796f 100644 --- a/src/pair_ufm.cpp +++ b/src/pair_ufm.cpp @@ -18,25 +18,17 @@ ------------------------------------------------------------------------- */ #include "pair_ufm.h" +#include #include -#include -#include #include #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" -#include "neigh_request.h" -#include "update.h" -#include "integrate.h" -#include "respa.h" -#include "math_const.h" #include "memory.h" #include "error.h" using namespace LAMMPS_NS; -using namespace MathConst; /* ---------------------------------------------------------------------- */ diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp index 4a2cf23952..e8775c9668 100644 --- a/src/pair_yukawa.cpp +++ b/src/pair_yukawa.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include "pair_yukawa.h" +#include #include -#include #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp index b01c301785..199e4f0907 100644 --- a/src/pair_zbl.cpp +++ b/src/pair_zbl.cpp @@ -17,19 +17,10 @@ #include "pair_zbl.h" #include -#include -#include -#include #include "atom.h" -#include "comm.h" #include "force.h" #include "neighbor.h" #include "neigh_list.h" -#include "neigh_request.h" -#include "update.h" -#include "integrate.h" -#include "respa.h" -#include "math_const.h" #include "memory.h" #include "error.h" @@ -37,7 +28,6 @@ // "The Stopping and Range of Ions in Matter" volume 1, Pergamon, 1985. using namespace LAMMPS_NS; -using namespace MathConst; using namespace PairZBLConstants; /* ---------------------------------------------------------------------- */ diff --git a/src/pair_zero.cpp b/src/pair_zero.cpp index 2692710e20..403bd73944 100644 --- a/src/pair_zero.cpp +++ b/src/pair_zero.cpp @@ -16,9 +16,7 @@ ------------------------------------------------------------------------- */ #include "pair_zero.h" -#include -#include -#include +#include #include #include "atom.h" #include "comm.h" diff --git a/src/procmap.cpp b/src/procmap.cpp index 47afb76da9..69585aa453 100644 --- a/src/procmap.cpp +++ b/src/procmap.cpp @@ -16,7 +16,12 @@ ------------------------------------------------------------------------- */ #include "procmap.h" +#include +#include #include +#include +#include +#include #include "universe.h" #include "comm.h" #include "domain.h" @@ -24,9 +29,6 @@ #include "memory.h" #include "error.h" -#include -#include - using namespace LAMMPS_NS; #define MAXLINE 128 diff --git a/src/rcb.cpp b/src/rcb.cpp index b19beae3c5..f1a6377046 100644 --- a/src/rcb.cpp +++ b/src/rcb.cpp @@ -16,7 +16,6 @@ #include #include "irregular.h" #include "memory.h" -#include "error.h" using namespace LAMMPS_NS; diff --git a/src/read_data.cpp b/src/read_data.cpp index a50d41b498..dad48110f7 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -16,18 +16,14 @@ // before lmptype.h can set flags to insure it is done correctly #include "read_data.h" -#include "lmptype.h" #include -#include #include -#include #include #include "atom.h" #include "atom_vec.h" #include "atom_vec_ellipsoid.h" #include "atom_vec_line.h" #include "atom_vec_tri.h" -#include "force.h" #include "molecule.h" #include "group.h" #include "comm.h" diff --git a/src/read_dump.cpp b/src/read_dump.cpp index 49f96db680..d83a96f0fa 100644 --- a/src/read_dump.cpp +++ b/src/read_dump.cpp @@ -20,24 +20,18 @@ // before lmptype.h can set flags to insure it is done correctly #include "read_dump.h" -#include "lmptype.h" #include #include -#include +#include #include "reader.h" #include "style_reader.h" #include "atom.h" #include "atom_vec.h" #include "update.h" -#include "modify.h" -#include "fix.h" -#include "compute.h" #include "domain.h" #include "comm.h" #include "force.h" #include "irregular.h" -#include "input.h" -#include "variable.h" #include "error.h" #include "memory.h" #include "utils.h" diff --git a/src/read_restart.cpp b/src/read_restart.cpp index 17b313bfa2..3d2e2b6592 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -14,7 +14,6 @@ #include "read_restart.h" #include #include -#include #include #include "atom.h" #include "atom_vec.h" @@ -23,7 +22,6 @@ #include "irregular.h" #include "update.h" #include "modify.h" -#include "fix.h" #include "fix_read_restart.h" #include "group.h" #include "force.h" diff --git a/src/reader.cpp b/src/reader.cpp index a1fe51f662..b2751662e2 100644 --- a/src/reader.cpp +++ b/src/reader.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "reader.h" -#include #include #include "error.h" diff --git a/src/reader_xyz.cpp b/src/reader_xyz.cpp index fa553dc30f..81aaba77bc 100644 --- a/src/reader_xyz.cpp +++ b/src/reader_xyz.cpp @@ -16,9 +16,7 @@ ------------------------------------------------------------------------- */ #include "reader_xyz.h" -#include #include -#include "atom.h" #include "memory.h" #include "error.h" #include "force.h" diff --git a/src/region.cpp b/src/region.cpp index 0c4bec16e0..7a676de1af 100644 --- a/src/region.cpp +++ b/src/region.cpp @@ -13,7 +13,6 @@ #include "region.h" #include -#include #include #include "update.h" #include "domain.h" diff --git a/src/region_block.cpp b/src/region_block.cpp index bc52fcd7cf..8ea8b3f202 100644 --- a/src/region_block.cpp +++ b/src/region_block.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "region_block.h" -#include #include #include "force.h" #include "domain.h" diff --git a/src/region_cone.cpp b/src/region_cone.cpp index 345c9fa8e2..3c7d0a29d8 100644 --- a/src/region_cone.cpp +++ b/src/region_cone.cpp @@ -17,7 +17,6 @@ #include "region_cone.h" #include -#include #include #include "domain.h" #include "error.h" diff --git a/src/region_cylinder.cpp b/src/region_cylinder.cpp index 968453cf37..b2c06270d0 100644 --- a/src/region_cylinder.cpp +++ b/src/region_cylinder.cpp @@ -13,7 +13,6 @@ #include "region_cylinder.h" #include -#include #include #include "update.h" #include "domain.h" diff --git a/src/region_intersect.cpp b/src/region_intersect.cpp index c6c11cf35c..fe074a6b4c 100644 --- a/src/region_intersect.cpp +++ b/src/region_intersect.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "region_intersect.h" -#include #include #include "domain.h" #include "error.h" diff --git a/src/region_plane.cpp b/src/region_plane.cpp index 950c0a4b53..85671357ef 100644 --- a/src/region_plane.cpp +++ b/src/region_plane.cpp @@ -13,8 +13,6 @@ #include "region_plane.h" #include -#include -#include #include "error.h" #include "force.h" diff --git a/src/region_prism.cpp b/src/region_prism.cpp index 38fc23da21..b6c54c2fb9 100644 --- a/src/region_prism.cpp +++ b/src/region_prism.cpp @@ -16,8 +16,6 @@ ------------------------------------------------------------------------- */ #include "region_prism.h" -#include -#include #include #include "domain.h" #include "force.h" diff --git a/src/region_sphere.cpp b/src/region_sphere.cpp index 9c478960e3..bf874ad311 100644 --- a/src/region_sphere.cpp +++ b/src/region_sphere.cpp @@ -13,7 +13,6 @@ #include "region_sphere.h" #include -#include #include #include "update.h" #include "input.h" diff --git a/src/region_union.cpp b/src/region_union.cpp index f4e30f5b94..be1fe6eeff 100644 --- a/src/region_union.cpp +++ b/src/region_union.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "region_union.h" -#include #include #include "domain.h" #include "error.h" diff --git a/src/replicate.cpp b/src/replicate.cpp index 6f8c94238a..1617ab0313 100644 --- a/src/replicate.cpp +++ b/src/replicate.cpp @@ -12,11 +12,10 @@ ------------------------------------------------------------------------- */ #include "replicate.h" -#include +#include #include #include "atom.h" #include "atom_vec.h" -#include "atom_vec_hybrid.h" #include "force.h" #include "domain.h" #include "comm.h" diff --git a/src/rerun.cpp b/src/rerun.cpp index e75779ccc0..3cd1c53628 100644 --- a/src/rerun.cpp +++ b/src/rerun.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "rerun.h" -#include #include #include "read_dump.h" #include "domain.h" diff --git a/src/reset_ids.cpp b/src/reset_ids.cpp index b68b7ca797..857738e841 100644 --- a/src/reset_ids.cpp +++ b/src/reset_ids.cpp @@ -12,6 +12,7 @@ ------------------------------------------------------------------------- */ #include "reset_ids.h" +#include #include "atom.h" #include "atom_vec.h" #include "domain.h" diff --git a/src/respa.cpp b/src/respa.cpp index 867662b3c2..a184756335 100644 --- a/src/respa.cpp +++ b/src/respa.cpp @@ -16,13 +16,13 @@ ------------------------------------------------------------------------- */ #include "respa.h" -#include #include #include "neighbor.h" #include "atom.h" #include "atom_vec.h" #include "domain.h" #include "comm.h" +#include "fix.h" #include "force.h" #include "pair.h" #include "bond.h" @@ -33,10 +33,8 @@ #include "output.h" #include "update.h" #include "modify.h" -#include "compute.h" #include "fix_respa.h" #include "timer.h" -#include "memory.h" #include "error.h" #include "utils.h" #include "pair_hybrid.h" diff --git a/src/run.cpp b/src/run.cpp index 60861ad3b9..2c2f00a7a8 100644 --- a/src/run.cpp +++ b/src/run.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include "run.h" -#include #include #include "domain.h" #include "update.h" diff --git a/src/set.cpp b/src/set.cpp index d34aa7753a..3bf00063c5 100644 --- a/src/set.cpp +++ b/src/set.cpp @@ -14,8 +14,8 @@ #include "set.h" #include #include -#include #include +#include #include "atom.h" #include "atom_vec.h" #include "atom_vec_ellipsoid.h" @@ -26,9 +26,7 @@ #include "region.h" #include "group.h" #include "comm.h" -#include "neighbor.h" #include "force.h" -#include "pair.h" #include "input.h" #include "variable.h" #include "random_park.h" diff --git a/src/special.cpp b/src/special.cpp index f8661e238c..b64aa96e2b 100644 --- a/src/special.cpp +++ b/src/special.cpp @@ -13,7 +13,6 @@ #include "special.h" #include -#include #include "atom.h" #include "atom_vec.h" #include "force.h" @@ -23,7 +22,6 @@ #include "accelerator_kokkos.h" #include "atom_masks.h" #include "memory.h" -#include "error.h" using namespace LAMMPS_NS; diff --git a/src/thermo.cpp b/src/thermo.cpp index d267ea260c..be725d907b 100644 --- a/src/thermo.cpp +++ b/src/thermo.cpp @@ -16,10 +16,8 @@ // before lmptype.h can set flags to insure it is done correctly #include "thermo.h" -#include "lmptype.h" #include #include -#include #include #include "atom.h" #include "update.h" @@ -43,11 +41,8 @@ #include "kspace.h" #include "output.h" #include "timer.h" -#include "math_const.h" #include "memory.h" #include "error.h" -#include "universe.h" - #include "math_const.h" using namespace LAMMPS_NS; diff --git a/src/thermo.h b/src/thermo.h index 8c32f24d3c..f2384e0ac3 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -18,9 +18,6 @@ namespace LAMMPS_NS { -class DumpNetCDF; -class DumpNetCDFMPIIO; - class Thermo : protected Pointers { friend class MinCG; // accesses compute_pe friend class DumpNetCDF; // accesses thermo properties