From 378474c4e642f34614d471953bb3758c04c8754a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 28 Jun 2019 02:01:08 -0400 Subject: [PATCH] more include file cleanup suggested by IWYU --- src/atom_map.cpp | 1 - src/atom_vec_body.cpp | 1 + src/bond_hybrid.cpp | 1 - src/bond_zero.cpp | 1 - src/comm.h | 2 +- src/comm_tiled.cpp | 1 + src/compute_adf.cpp | 3 --- src/compute_aggregate_atom.cpp | 1 + src/compute_angle.cpp | 2 +- src/compute_angmom_chunk.cpp | 1 + src/compute_bond.cpp | 2 +- src/compute_centro_atom.cpp | 1 - src/compute_chunk_atom.cpp | 6 ++++-- src/compute_cluster_atom.cpp | 2 +- src/compute_cna_atom.cpp | 2 +- src/compute_com_chunk.cpp | 1 + src/compute_contact_atom.cpp | 3 --- src/compute_coord_atom.cpp | 1 - src/compute_dihedral.cpp | 2 +- src/compute_dihedral_local.cpp | 2 -- src/compute_dipole_chunk.cpp | 2 ++ src/compute_displace_atom.cpp | 1 - src/compute_erotate_sphere.cpp | 3 --- src/compute_fragment_atom.cpp | 1 + src/compute_global_atom.cpp | 4 ---- src/compute_group_group.cpp | 1 - src/compute_gyration.cpp | 2 +- src/compute_gyration_chunk.cpp | 1 + src/compute_heat_flux.cpp | 3 +-- src/compute_hexorder_atom.cpp | 4 ++-- src/compute_improper.cpp | 2 +- src/compute_improper_local.cpp | 1 - src/compute_inertia_chunk.cpp | 1 + src/compute_ke.cpp | 2 -- src/compute_msd.cpp | 1 + src/compute_msd_chunk.cpp | 1 + src/compute_omega_chunk.cpp | 1 + src/compute_pair_local.cpp | 1 - src/compute_pe_atom.cpp | 1 - src/compute_pressure.cpp | 1 - src/compute_property_chunk.cpp | 1 + src/compute_rdf.cpp | 1 - src/compute_reduce.cpp | 2 -- src/compute_reduce_region.cpp | 3 +-- 44 files changed, 30 insertions(+), 47 deletions(-) diff --git a/src/atom_map.cpp b/src/atom_map.cpp index b14ebdba68..6af3b9c288 100644 --- a/src/atom_map.cpp +++ b/src/atom_map.cpp @@ -11,7 +11,6 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "pointers.h" #include #include #include "atom.h" diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp index 3e9528d6b9..fad5b3eae0 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -13,6 +13,7 @@ #include #include +#include #include "atom_vec_body.h" #include "my_pool_chunk.h" #include "style_body.h" diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp index 0fb23a3214..9028886758 100644 --- a/src/bond_hybrid.cpp +++ b/src/bond_hybrid.cpp @@ -12,7 +12,6 @@ ------------------------------------------------------------------------- */ #include -#include #include #include #include "bond_hybrid.h" diff --git a/src/bond_zero.cpp b/src/bond_zero.cpp index 3932846cb4..c473abbe4b 100644 --- a/src/bond_zero.cpp +++ b/src/bond_zero.cpp @@ -16,7 +16,6 @@ ------------------------------------------------------------------------- */ #include -#include #include #include "bond_zero.h" #include "atom.h" diff --git a/src/comm.h b/src/comm.h index 30360b1059..6d5592585f 100644 --- a/src/comm.h +++ b/src/comm.h @@ -14,7 +14,7 @@ #ifndef LMP_COMM_H #define LMP_COMM_H -#include "pointers.h" +#include "pointers.h" // IWYU pragma: export namespace LAMMPS_NS { diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index a85520ed45..385b7fdf22 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include #include "comm_tiled.h" diff --git a/src/compute_adf.cpp b/src/compute_adf.cpp index e9f9ba2b6f..a17561ff54 100644 --- a/src/compute_adf.cpp +++ b/src/compute_adf.cpp @@ -17,18 +17,15 @@ #include #include -#include #include #include "compute_adf.h" #include "atom.h" #include "update.h" #include "force.h" #include "pair.h" -#include "domain.h" #include "neighbor.h" #include "neigh_request.h" #include "neigh_list.h" -#include "group.h" #include "math_const.h" #include "memory.h" #include "error.h" diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index 6c8c8e5d9a..9a797124bd 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -15,6 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include #include #include #include "compute_aggregate_atom.h" diff --git a/src/compute_angle.cpp b/src/compute_angle.cpp index 59945f5832..c1c02a1cc4 100644 --- a/src/compute_angle.cpp +++ b/src/compute_angle.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include #include "compute_angle.h" +#include "angle.h" #include "update.h" #include "force.h" #include "angle_hybrid.h" diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp index a70eaaf49f..ec42015527 100644 --- a/src/compute_angmom_chunk.cpp +++ b/src/compute_angmom_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_angmom_chunk.h" #include "atom.h" diff --git a/src/compute_bond.cpp b/src/compute_bond.cpp index 896aaec9bd..4fd3bbef30 100644 --- a/src/compute_bond.cpp +++ b/src/compute_bond.cpp @@ -12,8 +12,8 @@ ------------------------------------------------------------------------- */ #include -#include #include "compute_bond.h" +#include "bond.h" #include "update.h" #include "force.h" #include "bond_hybrid.h" diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index 5096879b32..7df94271fc 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -16,7 +16,6 @@ ------------------------------------------------------------------------- */ #include -#include #include "compute_centro_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index 61b653b375..fd9204f1cb 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -14,8 +14,11 @@ // NOTE: allow for bin center to be variables for sphere/cylinder #include +#include #include #include +#include +#include #include "compute_chunk_atom.h" #include "atom.h" #include "update.h" @@ -24,6 +27,7 @@ #include "region.h" #include "lattice.h" #include "modify.h" +#include "fix.h" #include "fix_store.h" #include "comm.h" #include "group.h" @@ -33,8 +37,6 @@ #include "memory.h" #include "error.h" -#include - using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index 0c34b42671..febe0658a0 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include -#include #include "compute_cluster_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index b8ad3f0f64..d764e739b3 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Wan Liang (Chinese Academy of Sciences) ------------------------------------------------------------------------- */ +#include #include -#include #include #include "compute_cna_atom.h" #include "atom.h" diff --git a/src/compute_com_chunk.cpp b/src/compute_com_chunk.cpp index ec66767245..7b4c960cf4 100644 --- a/src/compute_com_chunk.cpp +++ b/src/compute_com_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_com_chunk.h" #include "atom.h" diff --git a/src/compute_contact_atom.cpp b/src/compute_contact_atom.cpp index e60a51832a..e4afc1d761 100644 --- a/src/compute_contact_atom.cpp +++ b/src/compute_contact_atom.cpp @@ -11,9 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include -#include #include "compute_contact_atom.h" #include "atom.h" #include "update.h" @@ -22,7 +20,6 @@ #include "neigh_list.h" #include "neigh_request.h" #include "force.h" -#include "pair.h" #include "comm.h" #include "memory.h" #include "error.h" diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 54f4c70c71..8cedcbc027 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -13,7 +13,6 @@ #include #include -#include #include "compute_coord_atom.h" #include "compute_orientorder_atom.h" #include "atom.h" diff --git a/src/compute_dihedral.cpp b/src/compute_dihedral.cpp index 3595b2eda3..16823050da 100644 --- a/src/compute_dihedral.cpp +++ b/src/compute_dihedral.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include #include "compute_dihedral.h" #include "update.h" #include "force.h" +#include "dihedral.h" #include "dihedral_hybrid.h" #include "error.h" diff --git a/src/compute_dihedral_local.cpp b/src/compute_dihedral_local.cpp index 9efdd61cb8..784ae9c607 100644 --- a/src/compute_dihedral_local.cpp +++ b/src/compute_dihedral_local.cpp @@ -20,10 +20,8 @@ #include "update.h" #include "domain.h" #include "force.h" -#include "dihedral.h" #include "input.h" #include "variable.h" - #include "math_const.h" #include "memory.h" #include "error.h" diff --git a/src/compute_dipole_chunk.cpp b/src/compute_dipole_chunk.cpp index b0474b6359..090bc5df94 100644 --- a/src/compute_dipole_chunk.cpp +++ b/src/compute_dipole_chunk.cpp @@ -11,6 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include +#include #include #include "compute_dipole_chunk.h" #include "atom.h" diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp index d8f279058e..3773159143 100644 --- a/src/compute_displace_atom.cpp +++ b/src/compute_displace_atom.cpp @@ -19,7 +19,6 @@ #include "group.h" #include "domain.h" #include "modify.h" -#include "fix.h" #include "fix_store.h" #include "input.h" #include "variable.h" diff --git a/src/compute_erotate_sphere.cpp b/src/compute_erotate_sphere.cpp index 31ed0aaba5..65bb8a9770 100644 --- a/src/compute_erotate_sphere.cpp +++ b/src/compute_erotate_sphere.cpp @@ -14,11 +14,8 @@ #include #include "compute_erotate_sphere.h" #include "atom.h" -#include "atom_vec.h" #include "update.h" #include "force.h" -#include "domain.h" -#include "group.h" #include "error.h" using namespace LAMMPS_NS; diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp index bb273f3bdb..d59b519d09 100644 --- a/src/compute_fragment_atom.cpp +++ b/src/compute_fragment_atom.cpp @@ -15,6 +15,7 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include #include #include "compute_fragment_atom.h" #include "atom.h" diff --git a/src/compute_global_atom.cpp b/src/compute_global_atom.cpp index dc9ab52f49..6685f746a1 100644 --- a/src/compute_global_atom.cpp +++ b/src/compute_global_atom.cpp @@ -16,12 +16,8 @@ #include "compute_global_atom.h" #include "atom.h" #include "update.h" -#include "domain.h" #include "modify.h" #include "fix.h" -#include "force.h" -#include "comm.h" -#include "group.h" #include "input.h" #include "variable.h" #include "memory.h" diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index e55f679b2e..11e1aac720 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -33,7 +33,6 @@ #include "comm.h" #include "domain.h" #include "math_const.h" -#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/compute_gyration.cpp b/src/compute_gyration.cpp index f8d19853e0..3c5656a5af 100644 --- a/src/compute_gyration.cpp +++ b/src/compute_gyration.cpp @@ -11,7 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include +#include #include "compute_gyration.h" #include "update.h" #include "atom.h" diff --git a/src/compute_gyration_chunk.cpp b/src/compute_gyration_chunk.cpp index 6a23398aca..f3db37d62f 100644 --- a/src/compute_gyration_chunk.cpp +++ b/src/compute_gyration_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include #include "compute_gyration_chunk.h" diff --git a/src/compute_heat_flux.cpp b/src/compute_heat_flux.cpp index e402da7842..9bd827c713 100644 --- a/src/compute_heat_flux.cpp +++ b/src/compute_heat_flux.cpp @@ -16,14 +16,13 @@ Mario Pinto (Computational Research Lab, Pune, India) ------------------------------------------------------------------------- */ -#include +#include #include #include "compute_heat_flux.h" #include "atom.h" #include "update.h" #include "modify.h" #include "force.h" -#include "group.h" #include "error.h" using namespace LAMMPS_NS; diff --git a/src/compute_hexorder_atom.cpp b/src/compute_hexorder_atom.cpp index 6d17ae15bd..c54f4b1aae 100644 --- a/src/compute_hexorder_atom.cpp +++ b/src/compute_hexorder_atom.cpp @@ -15,9 +15,9 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ -#include +#include #include -#include +#include #include "compute_hexorder_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_improper.cpp b/src/compute_improper.cpp index ac2a23e727..2f068dfb74 100644 --- a/src/compute_improper.cpp +++ b/src/compute_improper.cpp @@ -12,10 +12,10 @@ ------------------------------------------------------------------------- */ #include -#include #include "compute_improper.h" #include "update.h" #include "force.h" +#include "improper.h" #include "improper_hybrid.h" #include "error.h" diff --git a/src/compute_improper_local.cpp b/src/compute_improper_local.cpp index 2861850c79..ec1734cd96 100644 --- a/src/compute_improper_local.cpp +++ b/src/compute_improper_local.cpp @@ -20,7 +20,6 @@ #include "update.h" #include "domain.h" #include "force.h" -#include "improper.h" #include "math_const.h" #include "memory.h" #include "error.h" diff --git a/src/compute_inertia_chunk.cpp b/src/compute_inertia_chunk.cpp index a33073c35a..d1a7cb9fc1 100644 --- a/src/compute_inertia_chunk.cpp +++ b/src/compute_inertia_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_inertia_chunk.h" #include "atom.h" diff --git a/src/compute_ke.cpp b/src/compute_ke.cpp index fb3c5a9695..3418cc678f 100644 --- a/src/compute_ke.cpp +++ b/src/compute_ke.cpp @@ -16,8 +16,6 @@ #include "atom.h" #include "update.h" #include "force.h" -#include "domain.h" -#include "group.h" #include "error.h" using namespace LAMMPS_NS; diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index fc47b2609a..d2e17eff9e 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_msd.h" #include "atom.h" diff --git a/src/compute_msd_chunk.cpp b/src/compute_msd_chunk.cpp index 1f974cc06c..8520b36993 100644 --- a/src/compute_msd_chunk.cpp +++ b/src/compute_msd_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_msd_chunk.h" #include "atom.h" diff --git a/src/compute_omega_chunk.cpp b/src/compute_omega_chunk.cpp index 23447da602..360255e908 100644 --- a/src/compute_omega_chunk.cpp +++ b/src/compute_omega_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_omega_chunk.h" #include "atom.h" diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index c356a08be9..1ab46a0297 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -22,7 +22,6 @@ #include "neighbor.h" #include "neigh_request.h" #include "neigh_list.h" -#include "group.h" #include "memory.h" #include "error.h" diff --git a/src/compute_pe_atom.cpp b/src/compute_pe_atom.cpp index 2f1dc5650e..b3ace2d419 100644 --- a/src/compute_pe_atom.cpp +++ b/src/compute_pe_atom.cpp @@ -24,7 +24,6 @@ #include "improper.h" #include "kspace.h" #include "modify.h" -#include "fix.h" #include "memory.h" #include "error.h" diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index dde02a5aed..431f039de3 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -13,7 +13,6 @@ #include #include -#include #include "compute_pressure.h" #include "atom.h" #include "update.h" diff --git a/src/compute_property_chunk.cpp b/src/compute_property_chunk.cpp index 489890e1cc..089e867598 100644 --- a/src/compute_property_chunk.cpp +++ b/src/compute_property_chunk.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "compute_property_chunk.h" #include "atom.h" diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index d49485b4ea..b1fa8bb2a3 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -17,7 +17,6 @@ #include #include -#include #include #include "compute_rdf.h" #include "atom.h" diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index 16dc84628a..e7692b0797 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -20,8 +20,6 @@ #include "domain.h" #include "modify.h" #include "fix.h" -#include "force.h" -#include "comm.h" #include "group.h" #include "input.h" #include "variable.h" diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp index 8e91a299e8..30a5c6393f 100644 --- a/src/compute_reduce_region.cpp +++ b/src/compute_reduce_region.cpp @@ -11,8 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include -#include +#include #include "compute_reduce_region.h" #include "atom.h" #include "update.h"