diff --git a/src/USER-DRUDE/fix_drude_transform.cpp b/src/USER-DRUDE/fix_drude_transform.cpp index 8e85f1dffd..4128c508d6 100644 --- a/src/USER-DRUDE/fix_drude_transform.cpp +++ b/src/USER-DRUDE/fix_drude_transform.cpp @@ -13,6 +13,7 @@ /** Fix Drude Transform ******************************************************/ #include "fix_drude_transform.h" +#include #include #include #include "fix_drude.h" diff --git a/src/USER-DRUDE/fix_langevin_drude.cpp b/src/USER-DRUDE/fix_langevin_drude.cpp index 1a16c3df96..d413c31bd7 100644 --- a/src/USER-DRUDE/fix_langevin_drude.cpp +++ b/src/USER-DRUDE/fix_langevin_drude.cpp @@ -12,6 +12,7 @@ ------------------------------------------------------------------------- */ #include "fix_langevin_drude.h" +#include #include #include #include "fix_drude.h" diff --git a/src/USER-EFF/compute_temp_eff.cpp b/src/USER-EFF/compute_temp_eff.cpp index 8e07e390fa..e9295ea680 100644 --- a/src/USER-EFF/compute_temp_eff.cpp +++ b/src/USER-EFF/compute_temp_eff.cpp @@ -17,6 +17,7 @@ #include "compute_temp_eff.h" #include +#include #include "atom.h" #include "update.h" #include "force.h" diff --git a/src/USER-LB/fix_lb_fluid.cpp b/src/USER-LB/fix_lb_fluid.cpp index 31c54aee76..8ad3dbe33e 100644 --- a/src/USER-LB/fix_lb_fluid.cpp +++ b/src/USER-LB/fix_lb_fluid.cpp @@ -20,15 +20,14 @@ #include #include #include -#include #include +#include +#include #include "comm.h" #include "memory.h" #include "error.h" #include "domain.h" #include "atom.h" -#include -#include #include "group.h" #include "random_mars.h" #include "update.h" diff --git a/src/USER-LB/fix_lb_momentum.cpp b/src/USER-LB/fix_lb_momentum.cpp index df17561380..10fffed018 100644 --- a/src/USER-LB/fix_lb_momentum.cpp +++ b/src/USER-LB/fix_lb_momentum.cpp @@ -18,16 +18,15 @@ Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U) ------------------------------------------------------------------------- */ +#include "fix_lb_momentum.h" +#include #include #include -#include "fix_lb_momentum.h" #include "atom.h" -#include "domain.h" #include "group.h" #include "error.h" #include "fix_lb_fluid.h" #include "modify.h" -#include "comm.h" using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-LB/fix_lb_pc.cpp b/src/USER-LB/fix_lb_pc.cpp index ce6ca0c9a1..d61692419a 100644 --- a/src/USER-LB/fix_lb_pc.cpp +++ b/src/USER-LB/fix_lb_pc.cpp @@ -15,17 +15,14 @@ Contributing authors: Frances Mackay, Santtu Ollila, Colin Denniston (UWO) ------------------------------------------------------------------------- */ -#include -#include -#include #include "fix_lb_pc.h" +#include +#include #include "atom.h" #include "force.h" #include "update.h" -#include "respa.h" #include "error.h" #include "memory.h" -#include "comm.h" #include "domain.h" #include "fix_lb_fluid.h" #include "modify.h" diff --git a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp index 83dc751631..af1b01043d 100644 --- a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp +++ b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp @@ -16,21 +16,18 @@ Based on fix_rigid (version from 2008). ------------------------------------------------------------------------- */ +#include "fix_lb_rigid_pc_sphere.h" +#include #include -#include #include #include -#include "fix_lb_rigid_pc_sphere.h" #include "atom.h" -#include "atom_vec.h" #include "domain.h" #include "update.h" -#include "respa.h" #include "modify.h" #include "group.h" #include "comm.h" #include "force.h" -#include "output.h" #include "memory.h" #include "error.h" #include "fix_lb_fluid.h" diff --git a/src/USER-LB/fix_lb_viscous.cpp b/src/USER-LB/fix_lb_viscous.cpp index afe23477be..59fddebd67 100644 --- a/src/USER-LB/fix_lb_viscous.cpp +++ b/src/USER-LB/fix_lb_viscous.cpp @@ -15,10 +15,8 @@ Contributing authors: Frances Mackay, Santtu Ollila, Colin Denniston (UWO) ------------------------------------------------------------------------- */ -#include -#include -#include #include "fix_lb_viscous.h" +#include #include "atom.h" #include "update.h" #include "respa.h" diff --git a/src/USER-MGPT/pair_mgpt.h b/src/USER-MGPT/pair_mgpt.h index 3e861a0198..ff71edc9f3 100644 --- a/src/USER-MGPT/pair_mgpt.h +++ b/src/USER-MGPT/pair_mgpt.h @@ -30,8 +30,6 @@ PairStyle(mgpt,PairMGPT) #ifndef LMP_PAIR_MGPT_H #define LMP_PAIR_MGPT_H -#include -#include #include #include diff --git a/src/USER-MOLFILE/dump_molfile.cpp b/src/USER-MOLFILE/dump_molfile.cpp index 732fea74bd..d9d8ec3c97 100644 --- a/src/USER-MOLFILE/dump_molfile.cpp +++ b/src/USER-MOLFILE/dump_molfile.cpp @@ -15,15 +15,14 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include "dump_molfile.h" +#include #include #include -#include "dump_molfile.h" #include "domain.h" #include "atom.h" #include "comm.h" #include "update.h" -#include "output.h" #include "group.h" #include "memory.h" #include "error.h" diff --git a/src/USER-MOLFILE/reader_molfile.cpp b/src/USER-MOLFILE/reader_molfile.cpp index ca1a61850c..5cff56753b 100644 --- a/src/USER-MOLFILE/reader_molfile.cpp +++ b/src/USER-MOLFILE/reader_molfile.cpp @@ -15,11 +15,9 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include +#include "reader_molfile.h" #include #include -#include "reader_molfile.h" -#include "atom.h" #include "comm.h" #include "memory.h" #include "error.h" diff --git a/src/USER-OMP/fix_qeq_reax_omp.cpp b/src/USER-OMP/fix_qeq_reax_omp.cpp index 55e2b73812..f7945b5579 100644 --- a/src/USER-OMP/fix_qeq_reax_omp.cpp +++ b/src/USER-OMP/fix_qeq_reax_omp.cpp @@ -42,6 +42,7 @@ #include "memory.h" #include "error.h" #include "reaxc_defs.h" +#include "reaxc_types.h" #if defined(_OPENMP) #include diff --git a/src/USER-OMP/pair_reaxc_omp.h b/src/USER-OMP/pair_reaxc_omp.h index ad8c368aaf..0cae28f56b 100644 --- a/src/USER-OMP/pair_reaxc_omp.h +++ b/src/USER-OMP/pair_reaxc_omp.h @@ -22,7 +22,6 @@ PairStyle(reax/c/omp,PairReaxCOMP) #include "pair_reaxc.h" #include "thr_omp.h" -#include "suffix.h" namespace LAMMPS_NS { diff --git a/src/USER-OMP/reaxc_bond_orders_omp.cpp b/src/USER-OMP/reaxc_bond_orders_omp.cpp index 17715c6e26..d581819e00 100644 --- a/src/USER-OMP/reaxc_bond_orders_omp.cpp +++ b/src/USER-OMP/reaxc_bond_orders_omp.cpp @@ -27,6 +27,9 @@ ----------------------------------------------------------------------*/ #include "reaxc_bond_orders_omp.h" +#include +#include +#include "fix_omp.h" #include "reaxc_defs.h" #include "pair_reaxc_omp.h" #include "reaxc_types.h" diff --git a/src/USER-OMP/reaxc_bonds_omp.cpp b/src/USER-OMP/reaxc_bonds_omp.cpp index 12ba1dcbfe..b6a76b3f3a 100644 --- a/src/USER-OMP/reaxc_bonds_omp.cpp +++ b/src/USER-OMP/reaxc_bonds_omp.cpp @@ -27,13 +27,12 @@ ----------------------------------------------------------------------*/ #include "reaxc_bonds_omp.h" +#include +#include +#include "fix_omp.h" #include "reaxc_defs.h" -#include "reaxc_bond_orders_omp.h" #include "pair_reaxc_omp.h" - #include "reaxc_list.h" -#include "reaxc_tool_box.h" -#include "reaxc_vector.h" #if defined(_OPENMP) #include diff --git a/src/USER-OMP/reaxc_forces_omp.cpp b/src/USER-OMP/reaxc_forces_omp.cpp index 1ada5e7e71..971667cc2d 100644 --- a/src/USER-OMP/reaxc_forces_omp.cpp +++ b/src/USER-OMP/reaxc_forces_omp.cpp @@ -27,19 +27,18 @@ ----------------------------------------------------------------------*/ #include "reaxc_forces_omp.h" +#include +#include +#include "fix_omp.h" #include "reaxc_defs.h" #include "pair_reaxc_omp.h" -#include "thr_data.h" #include "reaxc_bond_orders_omp.h" #include "reaxc_bonds_omp.h" #include "reaxc_hydrogen_bonds_omp.h" -#include "reaxc_io_tools.h" #include "reaxc_list.h" -#include "reaxc_lookup.h" #include "reaxc_multi_body_omp.h" #include "reaxc_nonbonded_omp.h" -#include "reaxc_tool_box.h" #include "reaxc_torsion_angles_omp.h" #include "reaxc_valence_angles_omp.h" #include "reaxc_vector.h" diff --git a/src/USER-OMP/reaxc_forces_omp.h b/src/USER-OMP/reaxc_forces_omp.h index d1e2a5c65a..6df0288656 100644 --- a/src/USER-OMP/reaxc_forces_omp.h +++ b/src/USER-OMP/reaxc_forces_omp.h @@ -30,7 +30,6 @@ #define __FORCES_OMP_H_ #include "reaxc_types.h" -#include "reaxc_defs.h" void Init_Force_FunctionsOMP( control_params* ); void Compute_ForcesOMP( reax_system*, control_params*, simulation_data*, diff --git a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp index e3c034a12e..d06966a92d 100644 --- a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp +++ b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp @@ -27,9 +27,11 @@ ----------------------------------------------------------------------*/ #include "reaxc_hydrogen_bonds_omp.h" +#include +#include +#include "fix_omp.h" #include "pair_reaxc_omp.h" #include "reaxc_defs.h" -#include "reaxc_bond_orders_omp.h" #include "reaxc_list.h" #include "reaxc_valence_angles.h" // To access Calculate_Theta() #include "reaxc_valence_angles_omp.h" // To access Calculate_dCos_ThetaOMP() diff --git a/src/USER-OMP/reaxc_init_md_omp.cpp b/src/USER-OMP/reaxc_init_md_omp.cpp index 847e916666..9d40479ddf 100644 --- a/src/USER-OMP/reaxc_init_md_omp.cpp +++ b/src/USER-OMP/reaxc_init_md_omp.cpp @@ -27,18 +27,15 @@ ----------------------------------------------------------------------*/ #include "reaxc_init_md_omp.h" -#include "pair_reaxc_omp.h" +#include #include "reaxc_defs.h" -#include "reaxc_allocate.h" #include "reaxc_forces.h" #include "reaxc_forces_omp.h" #include "reaxc_io_tools.h" #include "reaxc_list.h" #include "reaxc_lookup.h" -#include "reaxc_reset_tools.h" -#include "reaxc_system_props.h" #include "reaxc_tool_box.h" -#include "reaxc_vector.h" +#include "error.h" // Functions defined in reaxc_init_md.cpp extern int Init_MPI_Datatypes(reax_system*, storage*, mpi_datatypes*, MPI_Comm, char*); diff --git a/src/USER-OMP/reaxc_torsion_angles_omp.cpp b/src/USER-OMP/reaxc_torsion_angles_omp.cpp index 9cd716b594..68bacb7202 100644 --- a/src/USER-OMP/reaxc_torsion_angles_omp.cpp +++ b/src/USER-OMP/reaxc_torsion_angles_omp.cpp @@ -27,14 +27,13 @@ ----------------------------------------------------------------------*/ #include "reaxc_torsion_angles_omp.h" +#include +#include "fix_omp.h" #include "pair_reaxc_omp.h" -#include "thr_data.h" #include "reaxc_defs.h" #include "reaxc_types.h" -#include "reaxc_bond_orders_omp.h" #include "reaxc_list.h" -#include "reaxc_tool_box.h" #include "reaxc_vector.h" #if defined(_OPENMP) diff --git a/src/USER-PTM/ptm_index.cpp b/src/USER-PTM/ptm_index.cpp index b50e5c4333..cedd35126d 100644 --- a/src/USER-PTM/ptm_index.cpp +++ b/src/USER-PTM/ptm_index.cpp @@ -22,6 +22,7 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI #include #include #include +#include static double calculate_interatomic_distance(int type, double scale) { assert(type >= 1 && type <= 8); diff --git a/src/USER-PTM/ptm_initialize_data.cpp b/src/USER-PTM/ptm_initialize_data.cpp index 1f0a5c94af..ff8245fe44 100644 --- a/src/USER-PTM/ptm_initialize_data.cpp +++ b/src/USER-PTM/ptm_initialize_data.cpp @@ -8,6 +8,10 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI */ #include "ptm_initialize_data.h" +#include "ptm_canonical_coloured.h" +#include "ptm_convex_hull_incremental.h" +#include "ptm_graph_tools.h" +#include "ptm_neighbour_ordering.h" #include diff --git a/src/USER-PTM/ptm_initialize_data.h b/src/USER-PTM/ptm_initialize_data.h index 20c9921962..4e7f3e8f0a 100644 --- a/src/USER-PTM/ptm_initialize_data.h +++ b/src/USER-PTM/ptm_initialize_data.h @@ -12,12 +12,8 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI #include "ptm_graph_data.h" -#include "ptm_graph_tools.h" #include "ptm_deformation_gradient.h" #include "ptm_fundamental_mappings.h" -#include "ptm_neighbour_ordering.h" -#include "ptm_canonical_coloured.h" -#include "ptm_convex_hull_incremental.h" #include "ptm_alt_templates.h"