diff --git a/doc/include-file-conventions.md b/doc/include-file-conventions.md index 3f591361f5..1f206c8f88 100644 --- a/doc/include-file-conventions.md +++ b/doc/include-file-conventions.md @@ -97,10 +97,10 @@ statements should follow the "include what you use" principle. ### Order of Include Statements Include files should be included in this order: -* lmptype.h (should only be included if `MPI_LMP_XXX` data types are used) +* the header matching the implementation (`some_class.h` for file `some_class.cpp`) * mpi.h * system and library headers (anything that is using angular brackets; C-library headers first, then C++) -* LAMMPS local headers (first the header matching the implementation file, the rest in mostly alphabetical order) +* LAMMPS local headers (preferably in alphabetical order) ### Special Cases and Exceptions diff --git a/src/angle.h b/src/angle.h index 7a008f7ca7..3e6812c4fd 100644 --- a/src/angle.h +++ b/src/angle.h @@ -14,7 +14,7 @@ #ifndef LMP_ANGLE_H #define LMP_ANGLE_H -#include "pointers.h" // IWYU pragma: export +#include "pointers.h" namespace LAMMPS_NS { diff --git a/src/angle_deprecated.cpp b/src/angle_deprecated.cpp index b5af217b7b..cc29c9978e 100644 --- a/src/angle_deprecated.cpp +++ b/src/angle_deprecated.cpp @@ -15,12 +15,13 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include #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; @@ -43,7 +44,7 @@ void AngleDeprecated::settings(int, char **) // hybrid substyles are created in AngleHybrid::settings(), so when this is // called, our style was just added at the end of the list of substyles - if (strncmp(my_style,"hybrid",6) == 0) { + if (utils::strmatch(my_style,"^hybrid")) { AngleHybrid *hybrid = (AngleHybrid *)force->angle; my_style = hybrid->keywords[hybrid->nstyles]; } diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp index 47baf770a5..a4729efb38 100644 --- a/src/angle_hybrid.cpp +++ b/src/angle_hybrid.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "angle_hybrid.h" #include #include #include -#include "angle_hybrid.h" #include "atom.h" #include "neighbor.h" #include "comm.h" diff --git a/src/angle_zero.cpp b/src/angle_zero.cpp index 62eab85aee..3c92b852b3 100644 --- a/src/angle_zero.cpp +++ b/src/angle_zero.cpp @@ -15,9 +15,9 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ +#include "angle_zero.h" #include #include -#include "angle_zero.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/atom.cpp b/src/atom.cpp index eab8a3063d..1073d9ebbb 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom.h" #include #include #include #include -#include "atom.h" #include "style_atom.h" #include "atom_vec.h" #include "atom_vec_ellipsoid.h" diff --git a/src/atom_map.cpp b/src/atom_map.cpp index 6af3b9c288..7949e327a9 100644 --- a/src/atom_map.cpp +++ b/src/atom_map.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom.h" #include #include -#include "atom.h" #include "comm.h" #include "memory.h" #include "error.h" diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp index a7ca6fcb19..11fe2dba06 100644 --- a/src/atom_vec.cpp +++ b/src/atom_vec.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom_vec.h" #include #include -#include "atom_vec.h" #include "atom.h" #include "force.h" #include "domain.h" diff --git a/src/atom_vec_atomic.cpp b/src/atom_vec_atomic.cpp index e1c9a1e524..7b452e018f 100644 --- a/src/atom_vec_atomic.cpp +++ b/src/atom_vec_atomic.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "atom_vec_atomic.h" +#include #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp index fad5b3eae0..8cc220c8b9 100644 --- a/src/atom_vec_body.cpp +++ b/src/atom_vec_body.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom_vec_body.h" #include #include #include -#include "atom_vec_body.h" #include "my_pool_chunk.h" #include "style_body.h" #include "body.h" diff --git a/src/atom_vec_charge.cpp b/src/atom_vec_charge.cpp index 440393385d..950fe06488 100644 --- a/src/atom_vec_charge.cpp +++ b/src/atom_vec_charge.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "atom_vec_charge.h" +#include #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp index ad167bef79..a9c36a61f4 100644 --- a/src/atom_vec_ellipsoid.cpp +++ b/src/atom_vec_ellipsoid.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ +#include "atom_vec_ellipsoid.h" #include #include -#include "atom_vec_ellipsoid.h" #include "math_extra.h" #include "atom.h" #include "comm.h" diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp index 7e1fb01e5d..a750b17ac3 100644 --- a/src/atom_vec_hybrid.cpp +++ b/src/atom_vec_hybrid.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom_vec_hybrid.h" #include #include -#include "atom_vec_hybrid.h" #include "atom.h" #include "domain.h" #include "modify.h" diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp index 6b197d2663..d694c42043 100644 --- a/src/atom_vec_line.cpp +++ b/src/atom_vec_line.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom_vec_line.h" #include #include #include -#include "atom_vec_line.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/atom_vec_sphere.cpp b/src/atom_vec_sphere.cpp index b3f4bfe391..713fb0d721 100644 --- a/src/atom_vec_sphere.cpp +++ b/src/atom_vec_sphere.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom_vec_sphere.h" #include #include -#include "atom_vec_sphere.h" #include "atom.h" #include "comm.h" #include "domain.h" diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp index b0b6eca19b..9a6afce02f 100644 --- a/src/atom_vec_tri.cpp +++ b/src/atom_vec_tri.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "atom_vec_tri.h" #include #include #include -#include "atom_vec_tri.h" #include "math_extra.h" #include "atom.h" #include "comm.h" diff --git a/src/balance.cpp b/src/balance.cpp index 04f342b69b..c3b6f7d3bf 100644 --- a/src/balance.cpp +++ b/src/balance.cpp @@ -18,10 +18,10 @@ //#define BALANCE_DEBUG 1 +#include "balance.h" #include #include #include -#include "balance.h" #include "atom.h" #include "comm.h" #include "rcb.h" diff --git a/src/body.cpp b/src/body.cpp index 10f88bd43b..c0e58d3f4c 100644 --- a/src/body.cpp +++ b/src/body.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "body.h" +#include using namespace LAMMPS_NS; diff --git a/src/bond.cpp b/src/bond.cpp index 0d50b7e3e5..bb54306280 100644 --- a/src/bond.cpp +++ b/src/bond.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "bond.h" +#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/bond_deprecated.cpp b/src/bond_deprecated.cpp index 567b1a4d00..3e20553cac 100644 --- a/src/bond_deprecated.cpp +++ b/src/bond_deprecated.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include #include "bond_deprecated.h" +#include #include "bond_hybrid.h" #include "comm.h" #include "force.h" diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp index 9028886758..0b1c944196 100644 --- a/src/bond_hybrid.cpp +++ b/src/bond_hybrid.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "bond_hybrid.h" #include #include #include -#include "bond_hybrid.h" #include "atom.h" #include "neighbor.h" #include "comm.h" diff --git a/src/bond_zero.cpp b/src/bond_zero.cpp index c473abbe4b..9be37c13be 100644 --- a/src/bond_zero.cpp +++ b/src/bond_zero.cpp @@ -15,9 +15,9 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ +#include "bond_zero.h" #include #include -#include "bond_zero.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/change_box.cpp b/src/change_box.cpp index 1fed65b430..98119fb3bf 100644 --- a/src/change_box.cpp +++ b/src/change_box.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "change_box.h" #include #include #include -#include "change_box.h" #include "atom.h" #include "modify.h" #include "fix.h" diff --git a/src/comm.cpp b/src/comm.cpp index 5f846cf292..53ec6b990c 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "comm.h" #include #include #include -#include "comm.h" #include "universe.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index dcf30807f5..928357d5be 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -15,10 +15,10 @@ Contributing author (triclinic) : Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ +#include "comm_brick.h" #include #include #include -#include "comm_brick.h" #include "atom.h" #include "atom_vec.h" #include "pair.h" diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 385b7fdf22..e145f50f75 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "comm_tiled.h" #include #include #include -#include "comm_tiled.h" #include "atom.h" #include "atom_vec.h" #include "domain.h" diff --git a/src/compute.cpp b/src/compute.cpp index 8ff8487104..cc92d2b5d3 100644 --- a/src/compute.cpp +++ b/src/compute.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute.h" #include #include -#include "compute.h" #include "domain.h" #include "force.h" #include "group.h" diff --git a/src/compute_adf.cpp b/src/compute_adf.cpp index a17561ff54..dee5fb214f 100644 --- a/src/compute_adf.cpp +++ b/src/compute_adf.cpp @@ -15,10 +15,10 @@ Contributing authors: Aidan P. Thompson (SNL) ------------------------------------------------------------------------- */ +#include "compute_adf.h" #include #include #include -#include "compute_adf.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index 9a797124bd..e495ac6899 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -15,10 +15,10 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "compute_aggregate_atom.h" #include #include #include -#include "compute_aggregate_atom.h" #include "atom.h" #include "atom_vec.h" #include "update.h" diff --git a/src/compute_angle.cpp b/src/compute_angle.cpp index c1c02a1cc4..fc72a58453 100644 --- a/src/compute_angle.cpp +++ b/src/compute_angle.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_angle.h" +#include #include "angle.h" #include "update.h" #include "force.h" diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp index 1196211665..b100824ea9 100644 --- a/src/compute_angle_local.cpp +++ b/src/compute_angle_local.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_angle_local.h" #include #include -#include "compute_angle_local.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp index ec42015527..05ea963b82 100644 --- a/src/compute_angmom_chunk.cpp +++ b/src/compute_angmom_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_angmom_chunk.h" #include #include -#include "compute_angmom_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_bond.cpp b/src/compute_bond.cpp index 4fd3bbef30..5cc947c764 100644 --- a/src/compute_bond.cpp +++ b/src/compute_bond.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_bond.h" +#include #include "bond.h" #include "update.h" #include "force.h" diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp index ccdd3ee77c..d579772384 100644 --- a/src/compute_bond_local.cpp +++ b/src/compute_bond_local.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_bond_local.h" #include #include -#include "compute_bond_local.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index 7df94271fc..18fc31390f 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -15,8 +15,8 @@ Contributing author: Michel Perez (U Lyon) for non-fcc lattices ------------------------------------------------------------------------- */ -#include #include "compute_centro_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index fd9204f1cb..92567101de 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -13,13 +13,13 @@ // NOTE: allow for bin center to be variables for sphere/cylinder +#include "compute_chunk_atom.h" #include #include #include #include #include #include -#include "compute_chunk_atom.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_chunk_spread_atom.cpp b/src/compute_chunk_spread_atom.cpp index 3d0cea1add..51dad00c25 100644 --- a/src/compute_chunk_spread_atom.cpp +++ b/src/compute_chunk_spread_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_chunk_spread_atom.h" #include #include -#include "compute_chunk_spread_atom.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index febe0658a0..ff227b3590 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_cluster_atom.h" #include #include #include -#include "compute_cluster_atom.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index d764e739b3..054798f637 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -15,10 +15,10 @@ Contributing author: Wan Liang (Chinese Academy of Sciences) ------------------------------------------------------------------------- */ +#include "compute_cna_atom.h" #include #include #include -#include "compute_cna_atom.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_com_chunk.cpp b/src/compute_com_chunk.cpp index 7b4c960cf4..c39911214c 100644 --- a/src/compute_com_chunk.cpp +++ b/src/compute_com_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_com_chunk.h" #include #include -#include "compute_com_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_contact_atom.cpp b/src/compute_contact_atom.cpp index e4afc1d761..7a288afb43 100644 --- a/src/compute_contact_atom.cpp +++ b/src/compute_contact_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_contact_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 8cedcbc027..30747c1314 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_coord_atom.h" #include #include -#include "compute_coord_atom.h" #include "compute_orientorder_atom.h" #include "atom.h" #include "update.h" diff --git a/src/compute_deprecated.cpp b/src/compute_deprecated.cpp index 069fa73437..1db78b6bdf 100644 --- a/src/compute_deprecated.cpp +++ b/src/compute_deprecated.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_deprecated.h" +#include #include "comm.h" #include "error.h" diff --git a/src/compute_dihedral.cpp b/src/compute_dihedral.cpp index 16823050da..e50903104a 100644 --- a/src/compute_dihedral.cpp +++ b/src/compute_dihedral.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_dihedral.h" +#include #include "update.h" #include "force.h" #include "dihedral.h" diff --git a/src/compute_dihedral_local.cpp b/src/compute_dihedral_local.cpp index 784ae9c607..ac2c884c3f 100644 --- a/src/compute_dihedral_local.cpp +++ b/src/compute_dihedral_local.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_dihedral_local.h" #include #include -#include "compute_dihedral_local.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/compute_dipole_chunk.cpp b/src/compute_dipole_chunk.cpp index 090bc5df94..3790da2035 100644 --- a/src/compute_dipole_chunk.cpp +++ b/src/compute_dipole_chunk.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_dipole_chunk.h" #include #include #include -#include "compute_dipole_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp index 3773159143..41db4db1d6 100644 --- a/src/compute_displace_atom.cpp +++ b/src/compute_displace_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_displace_atom.h" #include #include -#include "compute_displace_atom.h" #include "atom.h" #include "update.h" #include "group.h" diff --git a/src/compute_erotate_sphere.cpp b/src/compute_erotate_sphere.cpp index 65bb8a9770..2a8588f061 100644 --- a/src/compute_erotate_sphere.cpp +++ b/src/compute_erotate_sphere.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_erotate_sphere.h" +#include #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_erotate_sphere_atom.cpp b/src/compute_erotate_sphere_atom.cpp index 999bc062c5..78664a912f 100644 --- a/src/compute_erotate_sphere_atom.cpp +++ b/src/compute_erotate_sphere_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_erotate_sphere_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp index d59b519d09..f9b68dd217 100644 --- a/src/compute_fragment_atom.cpp +++ b/src/compute_fragment_atom.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "compute_fragment_atom.h" #include #include -#include "compute_fragment_atom.h" #include "atom.h" #include "atom_vec.h" #include "update.h" diff --git a/src/compute_global_atom.cpp b/src/compute_global_atom.cpp index 6685f746a1..15f8a8f1aa 100644 --- a/src/compute_global_atom.cpp +++ b/src/compute_global_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_global_atom.h" #include #include -#include "compute_global_atom.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index 11e1aac720..f978b4a228 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -16,10 +16,10 @@ K-space terms added by Stan Moore (BYU) ------------------------------------------------------------------------- */ +#include "compute_group_group.h" #include #include #include -#include "compute_group_group.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_gyration.cpp b/src/compute_gyration.cpp index 3c5656a5af..2b1a26cc75 100644 --- a/src/compute_gyration.cpp +++ b/src/compute_gyration.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #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 f3db37d62f..5677ce4b6a 100644 --- a/src/compute_gyration_chunk.cpp +++ b/src/compute_gyration_chunk.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_gyration_chunk.h" #include #include #include -#include "compute_gyration_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_heat_flux.cpp b/src/compute_heat_flux.cpp index 9bd827c713..b717dce04a 100644 --- a/src/compute_heat_flux.cpp +++ b/src/compute_heat_flux.cpp @@ -16,9 +16,9 @@ Mario Pinto (Computational Research Lab, Pune, India) ------------------------------------------------------------------------- */ +#include "compute_heat_flux.h" #include #include -#include "compute_heat_flux.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_hexorder_atom.cpp b/src/compute_hexorder_atom.cpp index c54f4b1aae..96d4c47678 100644 --- a/src/compute_hexorder_atom.cpp +++ b/src/compute_hexorder_atom.cpp @@ -15,10 +15,10 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "compute_hexorder_atom.h" #include #include #include -#include "compute_hexorder_atom.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_improper.cpp b/src/compute_improper.cpp index 2f068dfb74..181771dcfb 100644 --- a/src/compute_improper.cpp +++ b/src/compute_improper.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_improper.h" +#include #include "update.h" #include "force.h" #include "improper.h" diff --git a/src/compute_improper_local.cpp b/src/compute_improper_local.cpp index ec1734cd96..e363749b67 100644 --- a/src/compute_improper_local.cpp +++ b/src/compute_improper_local.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_improper_local.h" #include #include -#include "compute_improper_local.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/compute_inertia_chunk.cpp b/src/compute_inertia_chunk.cpp index d1a7cb9fc1..be980a08ee 100644 --- a/src/compute_inertia_chunk.cpp +++ b/src/compute_inertia_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_inertia_chunk.h" #include #include -#include "compute_inertia_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_ke.cpp b/src/compute_ke.cpp index 3418cc678f..c6ba478dcb 100644 --- a/src/compute_ke.cpp +++ b/src/compute_ke.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_ke.h" +#include #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_ke_atom.cpp b/src/compute_ke_atom.cpp index c5506996da..102d6364ff 100644 --- a/src/compute_ke_atom.cpp +++ b/src/compute_ke_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_ke_atom.h" +#include #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp index d2e17eff9e..b4115d859c 100644 --- a/src/compute_msd.cpp +++ b/src/compute_msd.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_msd.h" #include #include -#include "compute_msd.h" #include "atom.h" #include "update.h" #include "group.h" diff --git a/src/compute_msd_chunk.cpp b/src/compute_msd_chunk.cpp index 8520b36993..8039a4fcd5 100644 --- a/src/compute_msd_chunk.cpp +++ b/src/compute_msd_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_msd_chunk.h" #include #include -#include "compute_msd_chunk.h" #include "atom.h" #include "group.h" #include "update.h" diff --git a/src/compute_omega_chunk.cpp b/src/compute_omega_chunk.cpp index 360255e908..327c64493f 100644 --- a/src/compute_omega_chunk.cpp +++ b/src/compute_omega_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_omega_chunk.h" #include #include -#include "compute_omega_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp index 8a0a525fdc..266df575f9 100644 --- a/src/compute_orientorder_atom.cpp +++ b/src/compute_orientorder_atom.cpp @@ -16,10 +16,10 @@ Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "compute_orientorder_atom.h" #include #include #include -#include "compute_orientorder_atom.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_pair.cpp b/src/compute_pair.cpp index df4f3a1ddb..e9a3faf723 100644 --- a/src/compute_pair.cpp +++ b/src/compute_pair.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_pair.h" #include #include #include -#include "compute_pair.h" #include "update.h" #include "force.h" #include "pair.h" diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index 1ab46a0297..2018d929f3 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_pair_local.h" #include #include #include -#include "compute_pair_local.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_pe.cpp b/src/compute_pe.cpp index 5839ec2095..fd7b74b43a 100644 --- a/src/compute_pe.cpp +++ b/src/compute_pe.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_pe.h" #include #include -#include "compute_pe.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_pe_atom.cpp b/src/compute_pe_atom.cpp index b3ace2d419..274e1b05a6 100644 --- a/src/compute_pe_atom.cpp +++ b/src/compute_pe_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_pe_atom.h" +#include #include "atom.h" #include "update.h" #include "comm.h" diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp index 431f039de3..1782a040ae 100644 --- a/src/compute_pressure.cpp +++ b/src/compute_pressure.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_pressure.h" #include #include -#include "compute_pressure.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp index 0b57840696..065e3eeb82 100644 --- a/src/compute_property_atom.cpp +++ b/src/compute_property_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_property_atom.h" #include #include -#include "compute_property_atom.h" #include "math_extra.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/compute_property_chunk.cpp b/src/compute_property_chunk.cpp index 089e867598..579c7cae3f 100644 --- a/src/compute_property_chunk.cpp +++ b/src/compute_property_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_property_chunk.h" #include #include -#include "compute_property_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp index ddcf5913ca..651e1190b1 100644 --- a/src/compute_property_local.cpp +++ b/src/compute_property_local.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_property_local.h" +#include #include "atom.h" #include "atom_vec.h" #include "update.h" diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index b1fa8bb2a3..501a506c98 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -15,10 +15,10 @@ Contributing authors: Paul Crozier (SNL), Jeff Greathouse (SNL) ------------------------------------------------------------------------- */ +#include "compute_rdf.h" #include #include #include -#include "compute_rdf.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index e7692b0797..8467554faa 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_reduce.h" #include #include #include -#include "compute_reduce.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/compute_reduce_chunk.cpp b/src/compute_reduce_chunk.cpp index 5eda71b21b..3b68e20fcb 100644 --- a/src/compute_reduce_chunk.cpp +++ b/src/compute_reduce_chunk.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_reduce_chunk.h" #include #include #include -#include "compute_reduce_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp index 30a5c6393f..9074124a61 100644 --- a/src/compute_reduce_region.cpp +++ b/src/compute_reduce_region.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #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 6e509c24d4..67b60882f6 100644 --- a/src/compute_slice.cpp +++ b/src/compute_slice.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_slice.h" #include #include #include -#include "compute_slice.h" #include "update.h" #include "modify.h" #include "fix.h" diff --git a/src/compute_stress_atom.cpp b/src/compute_stress_atom.cpp index f84c977bdb..7c0ed9ef17 100644 --- a/src/compute_stress_atom.cpp +++ b/src/compute_stress_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "compute_stress_atom.h" +#include #include "atom.h" #include "update.h" #include "comm.h" diff --git a/src/compute_temp.cpp b/src/compute_temp.cpp index c330249a7e..e77531ee28 100644 --- a/src/compute_temp.cpp +++ b/src/compute_temp.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #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 229e98e258..e66aa64a27 100644 --- a/src/compute_temp_chunk.cpp +++ b/src/compute_temp_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_temp_chunk.h" #include #include -#include "compute_temp_chunk.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_com.cpp b/src/compute_temp_com.cpp index 21814e1940..e5b9b3d828 100644 --- a/src/compute_temp_com.cpp +++ b/src/compute_temp_com.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #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 39780b5cf6..ff8909a5c7 100644 --- a/src/compute_temp_deform.cpp +++ b/src/compute_temp_deform.cpp @@ -15,9 +15,9 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ +#include "compute_temp_deform.h" #include #include -#include "compute_temp_deform.h" #include "domain.h" #include "atom.h" #include "update.h" diff --git a/src/compute_temp_partial.cpp b/src/compute_temp_partial.cpp index 8d5ff66796..6bffcef374 100644 --- a/src/compute_temp_partial.cpp +++ b/src/compute_temp_partial.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #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 21c87b31a2..fce145848e 100644 --- a/src/compute_temp_profile.cpp +++ b/src/compute_temp_profile.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_temp_profile.h" #include #include -#include "compute_temp_profile.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_ramp.cpp b/src/compute_temp_ramp.cpp index 715d2aa9f4..0899f89fd1 100644 --- a/src/compute_temp_ramp.cpp +++ b/src/compute_temp_ramp.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_temp_ramp.h" #include #include -#include "compute_temp_ramp.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_region.cpp b/src/compute_temp_region.cpp index 4aa4dac0a1..a1b1b77648 100644 --- a/src/compute_temp_region.cpp +++ b/src/compute_temp_region.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_temp_region.h" #include #include -#include "compute_temp_region.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp index b490a5ec45..d2bfe6db61 100644 --- a/src/compute_temp_sphere.cpp +++ b/src/compute_temp_sphere.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_temp_sphere.h" #include #include -#include "compute_temp_sphere.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/compute_torque_chunk.cpp b/src/compute_torque_chunk.cpp index e43155493f..35eef8fe10 100644 --- a/src/compute_torque_chunk.cpp +++ b/src/compute_torque_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_torque_chunk.h" #include #include -#include "compute_torque_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/compute_vacf.cpp b/src/compute_vacf.cpp index 787c2503ca..761f827347 100644 --- a/src/compute_vacf.cpp +++ b/src/compute_vacf.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_vacf.h" #include #include -#include "compute_vacf.h" #include "atom.h" #include "update.h" #include "group.h" diff --git a/src/compute_vcm_chunk.cpp b/src/compute_vcm_chunk.cpp index cf30130763..b0a8dbeee7 100644 --- a/src/compute_vcm_chunk.cpp +++ b/src/compute_vcm_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "compute_vcm_chunk.h" #include #include -#include "compute_vcm_chunk.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp index 8504023a70..f6cff042fe 100644 --- a/src/create_atoms.cpp +++ b/src/create_atoms.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "create_atoms.h" #include #include -#include "create_atoms.h" #include "atom.h" #include "atom_vec.h" #include "molecule.h" diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index e00fe109ca..5b7c354595 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -15,9 +15,9 @@ Contributing authors: Mike Salerno (NRL) added single methods ------------------------------------------------------------------------- */ +#include "create_bonds.h" #include #include -#include "create_bonds.h" #include "atom.h" #include "domain.h" #include "force.h" diff --git a/src/create_box.cpp b/src/create_box.cpp index 5ec960bec4..4a826cb691 100644 --- a/src/create_box.cpp +++ b/src/create_box.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "create_box.h" +#include #include "atom.h" #include "atom_vec.h" #include "domain.h" diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp index ff4b97a3a4..e8d9c5d53b 100644 --- a/src/delete_atoms.cpp +++ b/src/delete_atoms.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "delete_atoms.h" #include #include #include -#include "delete_atoms.h" #include "atom.h" #include "atom_vec.h" #include "atom_vec_ellipsoid.h" diff --git a/src/delete_bonds.cpp b/src/delete_bonds.cpp index c4d591543a..c450f77ee7 100644 --- a/src/delete_bonds.cpp +++ b/src/delete_bonds.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "delete_bonds.h" #include #include #include -#include "delete_bonds.h" #include "atom.h" #include "atom_vec.h" #include "domain.h" diff --git a/src/deprecated.cpp b/src/deprecated.cpp index 66ddcfeff4..86af54fbfd 100644 --- a/src/deprecated.cpp +++ b/src/deprecated.cpp @@ -15,8 +15,8 @@ Contributing authors: Axel Kohlmeyer (Temple U), ------------------------------------------------------------------------- */ -#include #include "deprecated.h" +#include #include "comm.h" #include "error.h" #include "input.h" diff --git a/src/dihedral_deprecated.cpp b/src/dihedral_deprecated.cpp index 70888ca76d..0205b1b887 100644 --- a/src/dihedral_deprecated.cpp +++ b/src/dihedral_deprecated.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include #include "dihedral_deprecated.h" +#include #include "dihedral_hybrid.h" #include "comm.h" #include "force.h" diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp index 27fd7084bc..0863be955d 100644 --- a/src/dihedral_hybrid.cpp +++ b/src/dihedral_hybrid.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "dihedral_hybrid.h" #include #include #include -#include "dihedral_hybrid.h" #include "atom.h" #include "neighbor.h" #include "comm.h" diff --git a/src/dihedral_zero.cpp b/src/dihedral_zero.cpp index 0367477267..daf46fe79a 100644 --- a/src/dihedral_zero.cpp +++ b/src/dihedral_zero.cpp @@ -15,8 +15,8 @@ Contributing author: Carsten Svaneborg (SDU) ------------------------------------------------------------------------- */ -#include #include "dihedral_zero.h" +#include #include "atom.h" #include "force.h" #include "memory.h" diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp index 8bae173a1d..dc94c3ed35 100644 --- a/src/displace_atoms.cpp +++ b/src/displace_atoms.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "displace_atoms.h" #include #include #include -#include "displace_atoms.h" #include "atom.h" #include "modify.h" #include "domain.h" diff --git a/src/domain.cpp b/src/domain.cpp index 197eff514a..372b264013 100644 --- a/src/domain.cpp +++ b/src/domain.cpp @@ -15,10 +15,10 @@ Contributing author (triclinic) : Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ +#include "domain.h" #include #include #include -#include "domain.h" #include "style_region.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/dump.cpp b/src/dump.cpp index b08a4de2ad..57a8decbb0 100644 --- a/src/dump.cpp +++ b/src/dump.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "dump.h" #include #include -#include "dump.h" #include "atom.h" #include "irregular.h" #include "update.h" diff --git a/src/dump_atom.cpp b/src/dump_atom.cpp index c95256ac21..e2e77cfb77 100644 --- a/src/dump_atom.cpp +++ b/src/dump_atom.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "dump_atom.h" +#include #include "domain.h" #include "atom.h" #include "update.h" diff --git a/src/dump_cfg.cpp b/src/dump_cfg.cpp index eb5329e0d1..3430720b8c 100644 --- a/src/dump_cfg.cpp +++ b/src/dump_cfg.cpp @@ -16,8 +16,8 @@ Memory efficiency improved by Ray Shan (Sandia) ------------------------------------------------------------------------- */ -#include #include "dump_cfg.h" +#include #include "atom.h" #include "domain.h" #include "memory.h" diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 75e4e42bcd..ce83e442c9 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "dump_custom.h" #include #include -#include "dump_custom.h" #include "atom.h" #include "force.h" #include "domain.h" diff --git a/src/dump_dcd.cpp b/src/dump_dcd.cpp index ce669fecfd..254b371e22 100644 --- a/src/dump_dcd.cpp +++ b/src/dump_dcd.cpp @@ -16,10 +16,10 @@ Axel Kohlmeyer (Temple U), support for groups ------------------------------------------------------------------------- */ +#include "dump_dcd.h" #include #include #include -#include "dump_dcd.h" #include "domain.h" #include "atom.h" #include "update.h" diff --git a/src/dump_deprecated.cpp b/src/dump_deprecated.cpp index f0999f4276..4263b9801f 100644 --- a/src/dump_deprecated.cpp +++ b/src/dump_deprecated.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "dump_deprecated.h" +#include #include "comm.h" #include "error.h" diff --git a/src/dump_image.cpp b/src/dump_image.cpp index 0b4ca43879..7e6bc0c44c 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "dump_image.h" #include #include #include #include -#include "dump_image.h" #include "image.h" #include "atom.h" #include "atom_vec.h" diff --git a/src/dump_local.cpp b/src/dump_local.cpp index f99b7ac06c..9f021a7b6a 100644 --- a/src/dump_local.cpp +++ b/src/dump_local.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "dump_local.h" #include #include #include -#include "dump_local.h" #include "modify.h" #include "fix.h" #include "compute.h" diff --git a/src/dump_movie.cpp b/src/dump_movie.cpp index 37d8a37f4d..ea67320d4a 100644 --- a/src/dump_movie.cpp +++ b/src/dump_movie.cpp @@ -15,8 +15,8 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include #include "dump_movie.h" +#include #include "comm.h" #include "force.h" #include "error.h" diff --git a/src/dump_xyz.cpp b/src/dump_xyz.cpp index 4d50cfc2c8..10ba10f995 100644 --- a/src/dump_xyz.cpp +++ b/src/dump_xyz.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "dump_xyz.h" +#include #include "atom.h" #include "error.h" #include "memory.h" diff --git a/src/error.cpp b/src/error.cpp index 8970145b7c..656c957ee2 100644 --- a/src/error.cpp +++ b/src/error.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "error.h" #include #include #include -#include "error.h" #include "universe.h" #include "output.h" #include "input.h" diff --git a/src/finish.cpp b/src/finish.cpp index 77c959b945..bef3ae89eb 100644 --- a/src/finish.cpp +++ b/src/finish.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "finish.h" #include #include #include #include -#include "finish.h" #include "timer.h" #include "universe.h" #include "accelerator_kokkos.h" diff --git a/src/fix.cpp b/src/fix.cpp index 1913ed483e..e0cfeca1a9 100644 --- a/src/fix.cpp +++ b/src/fix.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix.h" #include #include -#include "fix.h" #include "atom.h" #include "group.h" #include "force.h" diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index 7ac6128558..8668690e1d 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_adapt.h" +#include #include "atom.h" #include "bond.h" #include "update.h" diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp index e29c4ffe9f..275ec2c846 100644 --- a/src/fix_addforce.cpp +++ b/src/fix_addforce.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_addforce.h" #include #include #include -#include "fix_addforce.h" #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 e6566632de..694df2bcf7 100644 --- a/src/fix_ave_atom.cpp +++ b/src/fix_ave_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_ave_atom.h" #include #include -#include "fix_ave_atom.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp index 1533d1fa4f..45eb38f5c2 100644 --- a/src/fix_ave_chunk.cpp +++ b/src/fix_ave_chunk.cpp @@ -11,12 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_ave_chunk.h" #include -#include // IWYU pragma: keep #include #include #include -#include "fix_ave_chunk.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp index 555c1ac026..f65b53efc8 100644 --- a/src/fix_ave_correlate.cpp +++ b/src/fix_ave_correlate.cpp @@ -17,12 +17,11 @@ Reese Jones (Sandia) ------------------------------------------------------------------------- */ +#include "fix_ave_correlate.h" #include -#include // IWYU pragma: keep #include #include #include -#include "fix_ave_correlate.h" #include "update.h" #include "modify.h" #include "compute.h" diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp index 29fdc21c74..5a5de6d0b6 100644 --- a/src/fix_ave_histo.cpp +++ b/src/fix_ave_histo.cpp @@ -11,12 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_ave_histo.h" #include -#include // IWYU pragma: keep #include #include #include -#include "fix_ave_histo.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_ave_histo_weight.cpp b/src/fix_ave_histo_weight.cpp index 5eeb074472..1f0d282e5d 100644 --- a/src/fix_ave_histo_weight.cpp +++ b/src/fix_ave_histo_weight.cpp @@ -14,11 +14,10 @@ /* ---------------------------------------------------------------------- Contributing author: Shawn Coleman (ARL) ------------------------------------------------------------------------- */ +#include "fix_ave_histo_weight.h" #include -#include // IWYU pragma: keep #include #include "fix.h" -#include "fix_ave_histo_weight.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp index 4820215f46..05d556d0c8 100644 --- a/src/fix_ave_time.cpp +++ b/src/fix_ave_time.cpp @@ -15,12 +15,11 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ +#include "fix_ave_time.h" #include -#include // IWYU pragma: keep #include #include #include -#include "fix_ave_time.h" #include "update.h" #include "force.h" #include "modify.h" diff --git a/src/fix_aveforce.cpp b/src/fix_aveforce.cpp index 4791a8b022..8ad07780a9 100644 --- a/src/fix_aveforce.cpp +++ b/src/fix_aveforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_aveforce.h" #include #include -#include "fix_aveforce.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_balance.cpp b/src/fix_balance.cpp index f9c32e8df0..5ca1ec124a 100644 --- a/src/fix_balance.cpp +++ b/src/fix_balance.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_balance.h" +#include #include "balance.h" #include "update.h" #include "atom.h" diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp index c73c0ade88..c19ea918b4 100644 --- a/src/fix_box_relax.cpp +++ b/src/fix_box_relax.cpp @@ -15,9 +15,9 @@ Contributing author: Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "fix_box_relax.h" #include #include -#include "fix_box_relax.h" #include "atom.h" #include "domain.h" #include "update.h" diff --git a/src/fix_controller.cpp b/src/fix_controller.cpp index eb7a794962..855869a574 100644 --- a/src/fix_controller.cpp +++ b/src/fix_controller.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_controller.h" #include #include -#include "fix_controller.h" #include "force.h" #include "update.h" #include "modify.h" diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 96d7580c39..9d84c4bb62 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -15,9 +15,9 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ +#include "fix_deform.h" #include #include -#include "fix_deform.h" #include "atom.h" #include "update.h" #include "comm.h" diff --git a/src/fix_deprecated.cpp b/src/fix_deprecated.cpp index 7db27152ba..0c212668b3 100644 --- a/src/fix_deprecated.cpp +++ b/src/fix_deprecated.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_deprecated.h" +#include #include "comm.h" #include "error.h" diff --git a/src/fix_drag.cpp b/src/fix_drag.cpp index 006d1c46d0..9af5a37675 100644 --- a/src/fix_drag.cpp +++ b/src/fix_drag.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_drag.h" #include #include #include -#include "fix_drag.h" #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_dt_reset.cpp b/src/fix_dt_reset.cpp index 4e6195c4fa..da4bdad827 100644 --- a/src/fix_dt_reset.cpp +++ b/src/fix_dt_reset.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_dt_reset.h" #include #include #include -#include "fix_dt_reset.h" #include "atom.h" #include "update.h" #include "integrate.h" diff --git a/src/fix_enforce2d.cpp b/src/fix_enforce2d.cpp index 986ded5d16..3edd24e9af 100644 --- a/src/fix_enforce2d.cpp +++ b/src/fix_enforce2d.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_enforce2d.h" +#include #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/fix_external.cpp b/src/fix_external.cpp index 2c926e26b5..afb420df93 100644 --- a/src/fix_external.cpp +++ b/src/fix_external.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_external.h" +#include #include "atom.h" #include "update.h" #include "memory.h" diff --git a/src/fix_gravity.cpp b/src/fix_gravity.cpp index 8508a92cc4..14ba913c01 100644 --- a/src/fix_gravity.cpp +++ b/src/fix_gravity.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_gravity.h" #include #include #include -#include "fix_gravity.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/fix_group.cpp b/src/fix_group.cpp index 8a332bed95..d2eea9f781 100644 --- a/src/fix_group.cpp +++ b/src/fix_group.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_group.h" +#include #include "group.h" #include "update.h" #include "atom.h" diff --git a/src/fix_halt.cpp b/src/fix_halt.cpp index 133494fb8e..8ebb39f0e9 100644 --- a/src/fix_halt.cpp +++ b/src/fix_halt.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_halt.h" #include #include #include -#include "fix_halt.h" #include "update.h" #include "force.h" #include "input.h" diff --git a/src/fix_heat.cpp b/src/fix_heat.cpp index f78a9c0860..67d445df92 100644 --- a/src/fix_heat.cpp +++ b/src/fix_heat.cpp @@ -15,10 +15,10 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ +#include "fix_heat.h" #include #include #include -#include "fix_heat.h" #include "atom.h" #include "domain.h" #include "region.h" diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp index 6a42cadefd..04837ff39b 100644 --- a/src/fix_indent.cpp +++ b/src/fix_indent.cpp @@ -15,10 +15,10 @@ Contributing author: Ravi Agrawal (Northwestern U) ------------------------------------------------------------------------- */ +#include "fix_indent.h" #include #include #include -#include "fix_indent.h" #include "atom.h" #include "input.h" #include "variable.h" diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index 0f48562048..f8fea76c94 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -16,10 +16,10 @@ Aidan Thompson (SNL) GJF formulation ------------------------------------------------------------------------- */ +#include "fix_langevin.h" #include #include #include -#include "fix_langevin.h" #include "math_extra.h" #include "atom.h" #include "atom_vec_ellipsoid.h" diff --git a/src/fix_lineforce.cpp b/src/fix_lineforce.cpp index 61c6341aa6..c153ee65dd 100644 --- a/src/fix_lineforce.cpp +++ b/src/fix_lineforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_lineforce.h" #include #include -#include "fix_lineforce.h" #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_momentum.cpp b/src/fix_momentum.cpp index bf94a94362..a363cb8eac 100644 --- a/src/fix_momentum.cpp +++ b/src/fix_momentum.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_momentum.h" #include #include #include -#include "fix_momentum.h" #include "atom.h" #include "domain.h" #include "group.h" diff --git a/src/fix_move.cpp b/src/fix_move.cpp index 646f943ef9..770c0fca6b 100644 --- a/src/fix_move.cpp +++ b/src/fix_move.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_move.h" #include #include -#include "fix_move.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp index ca593f29df..5c740ae649 100644 --- a/src/fix_neigh_history.cpp +++ b/src/fix_neigh_history.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_neigh_history.h" #include #include -#include "fix_neigh_history.h" #include "my_page.h" #include "atom.h" #include "comm.h" diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index 3ffdff54cf..bb3fe7559c 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -15,9 +15,9 @@ Contributing authors: Mark Stevens (SNL), Aidan Thompson (SNL) ------------------------------------------------------------------------- */ +#include "fix_nh.h" #include #include -#include "fix_nh.h" #include "atom.h" #include "force.h" #include "group.h" diff --git a/src/fix_nh_sphere.cpp b/src/fix_nh_sphere.cpp index 0f1024700a..1ff3fc2d4d 100644 --- a/src/fix_nh_sphere.cpp +++ b/src/fix_nh_sphere.cpp @@ -15,9 +15,9 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ +#include "fix_nh_sphere.h" #include #include -#include "fix_nh_sphere.h" #include "atom.h" #include "atom_vec.h" #include "error.h" diff --git a/src/fix_nph.cpp b/src/fix_nph.cpp index 40265ef57c..7148b024de 100644 --- a/src/fix_nph.cpp +++ b/src/fix_nph.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nph.h" +#include #include "modify.h" #include "error.h" diff --git a/src/fix_nph_sphere.cpp b/src/fix_nph_sphere.cpp index 3fcbe5e9c6..f64f144f34 100644 --- a/src/fix_nph_sphere.cpp +++ b/src/fix_nph_sphere.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nph_sphere.h" +#include #include "modify.h" #include "error.h" diff --git a/src/fix_npt.cpp b/src/fix_npt.cpp index d17577d68d..e856fafe2d 100644 --- a/src/fix_npt.cpp +++ b/src/fix_npt.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_npt.h" +#include #include "modify.h" #include "error.h" diff --git a/src/fix_npt_sphere.cpp b/src/fix_npt_sphere.cpp index 50ac990daf..9cbb17b0ca 100644 --- a/src/fix_npt_sphere.cpp +++ b/src/fix_npt_sphere.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_npt_sphere.h" +#include #include "modify.h" #include "error.h" diff --git a/src/fix_nve.cpp b/src/fix_nve.cpp index 3396f3ca47..863ce5404d 100644 --- a/src/fix_nve.cpp +++ b/src/fix_nve.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nve.h" +#include #include "atom.h" #include "force.h" #include "update.h" diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp index 49bed2e3dd..d63c736e73 100644 --- a/src/fix_nve_limit.cpp +++ b/src/fix_nve_limit.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_nve_limit.h" #include #include #include -#include "fix_nve_limit.h" #include "atom.h" #include "force.h" #include "update.h" diff --git a/src/fix_nve_noforce.cpp b/src/fix_nve_noforce.cpp index 7b61aac18e..022e8abe74 100644 --- a/src/fix_nve_noforce.cpp +++ b/src/fix_nve_noforce.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nve_noforce.h" +#include #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_nve_sphere.cpp b/src/fix_nve_sphere.cpp index 94e8aa88ac..c0fea17c2b 100644 --- a/src/fix_nve_sphere.cpp +++ b/src/fix_nve_sphere.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_nve_sphere.h" #include #include -#include "fix_nve_sphere.h" #include "atom.h" #include "domain.h" #include "atom_vec.h" diff --git a/src/fix_nvt.cpp b/src/fix_nvt.cpp index 7247612dd4..6f0d4c6c50 100644 --- a/src/fix_nvt.cpp +++ b/src/fix_nvt.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nvt.h" +#include #include "group.h" #include "modify.h" #include "error.h" diff --git a/src/fix_nvt_sllod.cpp b/src/fix_nvt_sllod.cpp index 16e2fb1d3d..138794862a 100644 --- a/src/fix_nvt_sllod.cpp +++ b/src/fix_nvt_sllod.cpp @@ -15,8 +15,8 @@ Contributing author: Pieter in 't Veld (SNL) ------------------------------------------------------------------------- */ -#include #include "fix_nvt_sllod.h" +#include #include "math_extra.h" #include "atom.h" #include "domain.h" diff --git a/src/fix_nvt_sphere.cpp b/src/fix_nvt_sphere.cpp index 44046699ba..fed3799011 100644 --- a/src/fix_nvt_sphere.cpp +++ b/src/fix_nvt_sphere.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nvt_sphere.h" +#include #include "group.h" #include "modify.h" #include "error.h" diff --git a/src/fix_planeforce.cpp b/src/fix_planeforce.cpp index a83d00a506..a3f27277bd 100644 --- a/src/fix_planeforce.cpp +++ b/src/fix_planeforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_planeforce.h" #include #include -#include "fix_planeforce.h" #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_press_berendsen.cpp b/src/fix_press_berendsen.cpp index ad3e3d1e1c..c090c554e2 100644 --- a/src/fix_press_berendsen.cpp +++ b/src/fix_press_berendsen.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_press_berendsen.h" #include #include -#include "fix_press_berendsen.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/fix_print.cpp b/src/fix_print.cpp index da2e2b54f3..dc76fc39f9 100644 --- a/src/fix_print.cpp +++ b/src/fix_print.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_print.h" #include #include -#include "fix_print.h" #include "update.h" #include "input.h" #include "modify.h" diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index 62c3ec985b..555114e4f9 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_property_atom.h" #include #include -#include "fix_property_atom.h" #include "atom.h" #include "comm.h" #include "memory.h" diff --git a/src/fix_recenter.cpp b/src/fix_recenter.cpp index cd50d7dc34..f461e0fa52 100644 --- a/src/fix_recenter.cpp +++ b/src/fix_recenter.cpp @@ -15,9 +15,9 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U) ------------------------------------------------------------------------- */ +#include "fix_recenter.h" #include #include -#include "fix_recenter.h" #include "atom.h" #include "group.h" #include "update.h" diff --git a/src/fix_respa.cpp b/src/fix_respa.cpp index ea2eb5050a..742dd5c58b 100644 --- a/src/fix_respa.cpp +++ b/src/fix_respa.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_respa.h" +#include #include "atom.h" #include "force.h" #include "memory.h" diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp index 3b9980d567..5a0d4fb662 100644 --- a/src/fix_restrain.cpp +++ b/src/fix_restrain.cpp @@ -16,10 +16,10 @@ support for bond and angle restraints by Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ +#include "fix_restrain.h" #include #include #include -#include "fix_restrain.h" #include "atom.h" #include "force.h" #include "update.h" diff --git a/src/fix_setforce.cpp b/src/fix_setforce.cpp index f01008dc10..77c4bfbddc 100644 --- a/src/fix_setforce.cpp +++ b/src/fix_setforce.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_setforce.h" #include #include -#include "fix_setforce.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_spring.cpp b/src/fix_spring.cpp index c87cec2766..510b194ab7 100644 --- a/src/fix_spring.cpp +++ b/src/fix_spring.cpp @@ -15,9 +15,9 @@ Contributing author: Paul Crozier (SNL) ------------------------------------------------------------------------- */ +#include "fix_spring.h" #include #include -#include "fix_spring.h" #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_spring_chunk.cpp b/src/fix_spring_chunk.cpp index f6ebadde94..e14936a976 100644 --- a/src/fix_spring_chunk.cpp +++ b/src/fix_spring_chunk.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_spring_chunk.h" #include #include -#include "fix_spring_chunk.h" #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/fix_spring_rg.cpp b/src/fix_spring_rg.cpp index 1d5b87c599..f1e68bffa4 100644 --- a/src/fix_spring_rg.cpp +++ b/src/fix_spring_rg.cpp @@ -16,8 +16,8 @@ Paul Crozier (SNL) ------------------------------------------------------------------------- */ -#include #include "fix_spring_rg.h" +#include #include "atom.h" #include "update.h" #include "group.h" diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp index a5aa600229..c94f21b492 100644 --- a/src/fix_spring_self.cpp +++ b/src/fix_spring_self.cpp @@ -15,9 +15,9 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins University) ------------------------------------------------------------------------- */ +#include "fix_spring_self.h" #include #include -#include "fix_spring_self.h" #include "atom.h" #include "update.h" #include "domain.h" diff --git a/src/fix_store.cpp b/src/fix_store.cpp index a370632489..94c62c1850 100644 --- a/src/fix_store.cpp +++ b/src/fix_store.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_store.h" +#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/fix_store_force.cpp b/src/fix_store_force.cpp index 8afd985615..5c25f0e162 100644 --- a/src/fix_store_force.cpp +++ b/src/fix_store_force.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_store_force.h" +#include #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index da899a173c..18dfa026d9 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_store_state.h" #include #include -#include "fix_store_state.h" #include "atom.h" #include "domain.h" #include "update.h" diff --git a/src/fix_temp_berendsen.cpp b/src/fix_temp_berendsen.cpp index b4dd65b0c5..be8922be4e 100644 --- a/src/fix_temp_berendsen.cpp +++ b/src/fix_temp_berendsen.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_temp_berendsen.h" #include #include -#include "fix_temp_berendsen.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/fix_temp_csld.cpp b/src/fix_temp_csld.cpp index 57f7104c61..f827c88f51 100644 --- a/src/fix_temp_csld.cpp +++ b/src/fix_temp_csld.cpp @@ -15,9 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ +#include "fix_temp_csld.h" #include #include -#include "fix_temp_csld.h" #include "atom.h" #include "force.h" #include "memory.h" diff --git a/src/fix_temp_csvr.cpp b/src/fix_temp_csvr.cpp index 9f8135ffc8..55cbb60407 100644 --- a/src/fix_temp_csvr.cpp +++ b/src/fix_temp_csvr.cpp @@ -16,10 +16,10 @@ Based on code by Paolo Raiteri (Curtin U) and Giovanni Bussi (SISSA) ------------------------------------------------------------------------- */ +#include "fix_temp_csvr.h" #include #include #include -#include "fix_temp_csvr.h" #include "atom.h" #include "force.h" #include "comm.h" diff --git a/src/fix_temp_rescale.cpp b/src/fix_temp_rescale.cpp index 378997c0c4..a9d605d5ba 100644 --- a/src/fix_temp_rescale.cpp +++ b/src/fix_temp_rescale.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_temp_rescale.h" #include #include -#include "fix_temp_rescale.h" #include "atom.h" #include "force.h" #include "group.h" diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp index a0425db36c..ec8cdb859c 100644 --- a/src/fix_tmd.cpp +++ b/src/fix_tmd.cpp @@ -16,10 +16,10 @@ Christian Burisch (Bochum Univeristy, Germany) ------------------------------------------------------------------------- */ +#include "fix_tmd.h" #include #include #include -#include "fix_tmd.h" #include "atom.h" #include "update.h" #include "modify.h" diff --git a/src/fix_vector.cpp b/src/fix_vector.cpp index b7be472be6..53093acbf6 100644 --- a/src/fix_vector.cpp +++ b/src/fix_vector.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_vector.h" #include #include -#include "fix_vector.h" #include "update.h" #include "force.h" #include "modify.h" diff --git a/src/fix_viscous.cpp b/src/fix_viscous.cpp index cc60b1bda4..bdd1e19976 100644 --- a/src/fix_viscous.cpp +++ b/src/fix_viscous.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_viscous.h" +#include #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/fix_wall.cpp b/src/fix_wall.cpp index 1046efc2df..8ceafb4bfc 100644 --- a/src/fix_wall.cpp +++ b/src/fix_wall.cpp @@ -11,9 +11,9 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_wall.h" #include #include -#include "fix_wall.h" #include "input.h" #include "variable.h" #include "domain.h" diff --git a/src/fix_wall_lj1043.cpp b/src/fix_wall_lj1043.cpp index a93f4dd699..5656cf113d 100644 --- a/src/fix_wall_lj1043.cpp +++ b/src/fix_wall_lj1043.cpp @@ -15,8 +15,8 @@ Contributing author: Jonathan Lee (Sandia) ------------------------------------------------------------------------- */ -#include #include "fix_wall_lj1043.h" +#include #include "atom.h" #include "math_const.h" diff --git a/src/fix_wall_lj126.cpp b/src/fix_wall_lj126.cpp index 369ef78c97..e748e2ef13 100644 --- a/src/fix_wall_lj126.cpp +++ b/src/fix_wall_lj126.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_wall_lj126.h" +#include #include "atom.h" #include "error.h" diff --git a/src/fix_wall_lj93.cpp b/src/fix_wall_lj93.cpp index ce5a06c81b..c0e81b60ee 100644 --- a/src/fix_wall_lj93.cpp +++ b/src/fix_wall_lj93.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_wall_lj93.h" +#include #include "atom.h" #include "error.h" diff --git a/src/fix_wall_reflect.cpp b/src/fix_wall_reflect.cpp index edf5c40a5f..bc3414d650 100644 --- a/src/fix_wall_reflect.cpp +++ b/src/fix_wall_reflect.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_wall_reflect.h" +#include #include "atom.h" #include "comm.h" #include "update.h" diff --git a/src/fix_wall_region.cpp b/src/fix_wall_region.cpp index cb1c3c2ab2..c1a689d90a 100644 --- a/src/fix_wall_region.cpp +++ b/src/fix_wall_region.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "fix_wall_region.h" #include #include #include -#include "fix_wall_region.h" #include "atom.h" #include "domain.h" #include "region.h" diff --git a/src/force.cpp b/src/force.cpp index e4939a10e8..1a826b2843 100644 --- a/src/force.cpp +++ b/src/force.cpp @@ -11,10 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "force.h" #include #include #include -#include "force.h" #include "style_bond.h" #include "style_angle.h" #include "style_dihedral.h" diff --git a/src/group.cpp b/src/group.cpp index a37d209947..d119964ea1 100644 --- a/src/group.cpp +++ b/src/group.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "group.h" #include #include #include #include -#include "group.h" #include "domain.h" #include "atom.h" #include "force.h" diff --git a/src/hashlittle.cpp b/src/hashlittle.cpp index e9340a7e55..c3824b71fe 100644 --- a/src/hashlittle.cpp +++ b/src/hashlittle.cpp @@ -2,8 +2,7 @@ // from lookup3.c, by Bob Jenkins, May 2006, Public Domain // bob_jenkins@burtleburtle.net -#include -#include +#include "hashlittle.h" // if the system defines the __BYTE_ORDER__ define, // we use it instead of guessing the platform @@ -141,7 +140,7 @@ acceptable. Do NOT use for cryptographic purposes. ------------------------------------------------------------------------------- */ -uint32_t hashlittle( const void *key, size_t length, uint32_t initval) +uint32_t LAMMPS_NS::hashlittle(const void *key, size_t length, uint32_t initval) { #ifndef PURIFY_HATES_HASHLITTLE diff --git a/src/hashlittle.h b/src/hashlittle.h index 7b57a35c80..75380d366b 100644 --- a/src/hashlittle.h +++ b/src/hashlittle.h @@ -2,4 +2,13 @@ // from lookup3.c, by Bob Jenkins, May 2006, Public Domain // bob_jenkins@burtleburtle.net -uint32_t hashlittle(const void *key, size_t length, uint32_t); +#ifndef LMP_HASHLITTLE_H +#define LMP_HASHLITTLE_H + +#include +#include + +namespace LAMMPS_NS { + uint32_t hashlittle(const void *key, size_t length, uint32_t); +} +#endif diff --git a/src/image.cpp b/src/image.cpp index ccd6d98d87..4a5009b8ed 100644 --- a/src/image.cpp +++ b/src/image.cpp @@ -15,11 +15,11 @@ Contributing author: Nathan Fabian (Sandia) ------------------------------------------------------------------------- */ +#include "image.h" #include #include #include #include -#include "image.h" #include "math_extra.h" #include "random_mars.h" #include "math_const.h" diff --git a/src/output.cpp b/src/output.cpp index fb2f9a700d..be6f66b7aa 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -11,6 +11,7 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include #include "output.h" #include "style_dump.h" diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp index 38a6e2c431..9ffa02156e 100644 --- a/src/pair_lj_cut_coul_cut.cpp +++ b/src/pair_lj_cut_coul_cut.cpp @@ -11,9 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include -#include -#include #include #include "pair_lj_cut_coul_cut.h" #include "atom.h" diff --git a/src/pair_lj_cut_coul_debye.cpp b/src/pair_lj_cut_coul_debye.cpp index cc6e92b2e3..ab6220bd24 100644 --- a/src/pair_lj_cut_coul_debye.cpp +++ b/src/pair_lj_cut_coul_debye.cpp @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include #include -#include #include "pair_lj_cut_coul_debye.h" #include "atom.h" #include "neigh_list.h" diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp index f114a5851f..778f9f2fb4 100644 --- a/src/pair_lj_cut_coul_dsf.cpp +++ b/src/pair_lj_cut_coul_dsf.cpp @@ -16,11 +16,10 @@ References: Fennell and Gezelter, JCP 124, 234104 (2006) ------------------------------------------------------------------------- */ -#include -#include -#include -#include #include "pair_lj_cut_coul_dsf.h" +#include +#include +#include #include "atom.h" #include "comm.h" #include "force.h" diff --git a/src/pointers.h b/src/pointers.h index 1af07d5158..2d528db392 100644 --- a/src/pointers.h +++ b/src/pointers.h @@ -22,7 +22,7 @@ #define LMP_POINTERS_H #include "lmptype.h" // IWYU pragma: export -#include +#include // IWYU pragma: export #include // IWYU pragme: export #include // IWYU pragma: export #include "lammps.h" // IWYU pragma: export