diff --git a/src/DPD-MESO/pair_mdpd.cpp b/src/DPD-MESO/pair_mdpd.cpp index 53994800d0..1b490aa190 100644 --- a/src/DPD-MESO/pair_mdpd.cpp +++ b/src/DPD-MESO/pair_mdpd.cpp @@ -31,7 +31,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; diff --git a/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp b/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp index 14a4c364a1..7473aecdb2 100644 --- a/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp +++ b/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp @@ -17,9 +17,7 @@ #include "comm.h" #include "error.h" #include "force.h" -#include "group.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" @@ -27,7 +25,6 @@ #include "update.h" #include "math_const.h" -#include #include using namespace LAMMPS_NS; diff --git a/src/EXTRA-FIX/fix_electron_stopping.cpp b/src/EXTRA-FIX/fix_electron_stopping.cpp index 49fcdd41bf..5bb3831d46 100644 --- a/src/EXTRA-FIX/fix_electron_stopping.cpp +++ b/src/EXTRA-FIX/fix_electron_stopping.cpp @@ -35,6 +35,7 @@ #include #include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/EXTRA-FIX/fix_gle.cpp b/src/EXTRA-FIX/fix_gle.cpp index acb7b84fe1..0e19f6e58f 100644 --- a/src/EXTRA-FIX/fix_gle.cpp +++ b/src/EXTRA-FIX/fix_gle.cpp @@ -31,6 +31,7 @@ #include #include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/EXTRA-FIX/fix_numdiff_virial.cpp b/src/EXTRA-FIX/fix_numdiff_virial.cpp index f2226f4a59..a87be67c89 100644 --- a/src/EXTRA-FIX/fix_numdiff_virial.cpp +++ b/src/EXTRA-FIX/fix_numdiff_virial.cpp @@ -33,8 +33,6 @@ #include "respa.h" #include "update.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/EXTRA-FIX/fix_ttm.cpp b/src/EXTRA-FIX/fix_ttm.cpp index de4b0a4c7e..752610fd08 100644 --- a/src/EXTRA-FIX/fix_ttm.cpp +++ b/src/EXTRA-FIX/fix_ttm.cpp @@ -32,6 +32,7 @@ #include #include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/EXTRA-FIX/fix_ttm.h b/src/EXTRA-FIX/fix_ttm.h index 76f2e62ed4..bbaf0b6429 100644 --- a/src/EXTRA-FIX/fix_ttm.h +++ b/src/EXTRA-FIX/fix_ttm.h @@ -21,7 +21,6 @@ FixStyle(ttm,FixTTM); #define LMP_FIX_TTM_H #include "fix.h" -#include namespace LAMMPS_NS { diff --git a/src/EXTRA-FIX/fix_ttm_mod.cpp b/src/EXTRA-FIX/fix_ttm_mod.cpp index 233f877e8c..a2c03db762 100644 --- a/src/EXTRA-FIX/fix_ttm_mod.cpp +++ b/src/EXTRA-FIX/fix_ttm_mod.cpp @@ -31,11 +31,11 @@ #include "random_mars.h" #include "respa.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include "update.h" #include #include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/EXTRA-FIX/fix_ttm_mod.h b/src/EXTRA-FIX/fix_ttm_mod.h index 74ff301ae9..d9967753fd 100644 --- a/src/EXTRA-FIX/fix_ttm_mod.h +++ b/src/EXTRA-FIX/fix_ttm_mod.h @@ -21,7 +21,6 @@ FixStyle(ttm/mod,FixTTMMod); #define LMP_FIX_TTM_MOD_H #include "fix.h" -#include namespace LAMMPS_NS { diff --git a/src/EXTRA-MOLECULE/bond_fene_nm.cpp b/src/EXTRA-MOLECULE/bond_fene_nm.cpp index 8abaf97bec..ea5c491de7 100644 --- a/src/EXTRA-MOLECULE/bond_fene_nm.cpp +++ b/src/EXTRA-MOLECULE/bond_fene_nm.cpp @@ -17,7 +17,6 @@ #include "comm.h" #include "error.h" #include "force.h" -#include "math_const.h" #include "memory.h" #include "neighbor.h" #include "update.h" diff --git a/src/EXTRA-PAIR/pair_harmonic_cut.cpp b/src/EXTRA-PAIR/pair_harmonic_cut.cpp index 89c3e0bf6b..7bef9bd443 100644 --- a/src/EXTRA-PAIR/pair_harmonic_cut.cpp +++ b/src/EXTRA-PAIR/pair_harmonic_cut.cpp @@ -24,8 +24,6 @@ #include "math_const.h" #include "memory.h" #include "neigh_list.h" -#include "neighbor.h" -#include "update.h" #include #include diff --git a/src/EXTRA-PAIR/pair_nm_cut_split.cpp b/src/EXTRA-PAIR/pair_nm_cut_split.cpp index ca6feb1549..45323b931c 100644 --- a/src/EXTRA-PAIR/pair_nm_cut_split.cpp +++ b/src/EXTRA-PAIR/pair_nm_cut_split.cpp @@ -19,16 +19,11 @@ #include "pair_nm_cut_split.h" #include "atom.h" -#include "comm.h" -#include "error.h" #include "force.h" -#include "math_const.h" #include "math_special.h" -#include "memory.h" #include "neigh_list.h" #include -#include using namespace LAMMPS_NS; using MathSpecial::powint; diff --git a/src/INTERLAYER/pair_ilp_graphene_hbn.cpp b/src/INTERLAYER/pair_ilp_graphene_hbn.cpp index 632bb6ae70..055578d201 100644 --- a/src/INTERLAYER/pair_ilp_graphene_hbn.cpp +++ b/src/INTERLAYER/pair_ilp_graphene_hbn.cpp @@ -34,7 +34,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/INTERLAYER/pair_kolmogorov_crespi_z.cpp b/src/INTERLAYER/pair_kolmogorov_crespi_z.cpp index 8f219656b7..96b9c5b2a8 100644 --- a/src/INTERLAYER/pair_kolmogorov_crespi_z.cpp +++ b/src/INTERLAYER/pair_kolmogorov_crespi_z.cpp @@ -31,7 +31,6 @@ #include "neighbor.h" #include "neigh_list.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/INTERLAYER/pair_lebedeva_z.cpp b/src/INTERLAYER/pair_lebedeva_z.cpp index cd788fdba6..f837934843 100644 --- a/src/INTERLAYER/pair_lebedeva_z.cpp +++ b/src/INTERLAYER/pair_lebedeva_z.cpp @@ -33,7 +33,6 @@ #include "neighbor.h" #include "neigh_list.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/KSPACE/pair_coul_streitz.cpp b/src/KSPACE/pair_coul_streitz.cpp index 0affa39799..27a8f87107 100644 --- a/src/KSPACE/pair_coul_streitz.cpp +++ b/src/KSPACE/pair_coul_streitz.cpp @@ -29,7 +29,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index aed241554b..9cec1f0460 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -19,20 +19,18 @@ #include "pair_adp.h" -#include - -#include #include "atom.h" -#include "force.h" #include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" #include "neighbor.h" #include "neigh_list.h" -#include "memory.h" -#include "error.h" - -#include "tokenizer.h" #include "potential_file_reader.h" +#include +#include + using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index 397259ee21..ebb576dcc9 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -50,7 +50,6 @@ #include "neighbor.h" #include "potential_file_reader.h" #include "tabular_function.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 75906cd7df..9db55ec158 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -35,7 +35,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 7dae6c1571..470fed6257 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -18,20 +18,18 @@ #include "pair_eam.h" -#include - -#include #include "atom.h" -#include "force.h" #include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" #include "neighbor.h" #include "neigh_list.h" -#include "memory.h" -#include "error.h" +#include "potential_file_reader.h" #include "update.h" -#include "tokenizer.h" -#include "potential_file_reader.h" +#include +#include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp index 7fc9b2c7b1..48ea955be1 100644 --- a/src/MANYBODY/pair_eam_alloy.cpp +++ b/src/MANYBODY/pair_eam_alloy.cpp @@ -23,7 +23,6 @@ #include "error.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp index 376469e238..4cbb3fd1d1 100644 --- a/src/MANYBODY/pair_eam_cd.cpp +++ b/src/MANYBODY/pair_eam_cd.cpp @@ -29,7 +29,6 @@ #include "tokenizer.h" #include -#include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp index cf552995d0..b449b20f7e 100644 --- a/src/MANYBODY/pair_eam_fs.cpp +++ b/src/MANYBODY/pair_eam_fs.cpp @@ -23,7 +23,6 @@ #include "error.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include diff --git a/src/MANYBODY/pair_edip.cpp b/src/MANYBODY/pair_edip.cpp index 611b1af455..24a7391c92 100644 --- a/src/MANYBODY/pair_edip.cpp +++ b/src/MANYBODY/pair_edip.cpp @@ -35,6 +35,7 @@ #include #include +#include #include using namespace LAMMPS_NS; diff --git a/src/MANYBODY/pair_edip_multi.cpp b/src/MANYBODY/pair_edip_multi.cpp index ffbc135a34..cdfe120fc4 100644 --- a/src/MANYBODY/pair_edip_multi.cpp +++ b/src/MANYBODY/pair_edip_multi.cpp @@ -34,6 +34,7 @@ #include #include +#include using namespace LAMMPS_NS; using namespace MathExtra; diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp index 98826f98f6..6e76c9ea39 100644 --- a/src/MANYBODY/pair_gw.cpp +++ b/src/MANYBODY/pair_gw.cpp @@ -30,7 +30,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp index 8045852f5a..cb998abbb5 100644 --- a/src/MANYBODY/pair_gw_zbl.cpp +++ b/src/MANYBODY/pair_gw_zbl.cpp @@ -24,7 +24,6 @@ #include "math_const.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include "update.h" #include diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index 29895af774..2b86658468 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -19,21 +19,19 @@ #include "pair_nb3b_harmonic.h" -#include - -#include #include "atom.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "force.h" #include "comm.h" -#include "neigh_list.h" -#include "memory.h" #include "error.h" - -#include "tokenizer.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "potential_file_reader.h" +#include +#include + using namespace LAMMPS_NS; #define DELTA 4 diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp index ce476e1204..3d2bf9497e 100644 --- a/src/MANYBODY/pair_polymorphic.cpp +++ b/src/MANYBODY/pair_polymorphic.cpp @@ -33,7 +33,6 @@ #include "neighbor.h" #include "potential_file_reader.h" #include "tabular_function.h" -#include "tokenizer.h" #include diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 75ece1dc71..bac65a2464 100644 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -27,7 +27,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 484adc7436..6ad0a37ba3 100644 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -32,7 +32,6 @@ #include "neighbor.h" #include "potential_file_reader.h" #include "suffix.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp index 939dcfddd6..bc34edfb75 100644 --- a/src/MANYBODY/pair_tersoff_mod.cpp +++ b/src/MANYBODY/pair_tersoff_mod.cpp @@ -26,7 +26,6 @@ #include "math_special.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp index 6dbf49efdf..b0cffbd8e2 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.cpp +++ b/src/MANYBODY/pair_tersoff_mod_c.cpp @@ -22,7 +22,6 @@ #include "error.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_tersoff_table.cpp b/src/MANYBODY/pair_tersoff_table.cpp index f6a3525f1e..0c11760737 100644 --- a/src/MANYBODY/pair_tersoff_table.cpp +++ b/src/MANYBODY/pair_tersoff_table.cpp @@ -32,7 +32,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp index c1d420dabb..3478268161 100644 --- a/src/MANYBODY/pair_tersoff_zbl.cpp +++ b/src/MANYBODY/pair_tersoff_zbl.cpp @@ -25,7 +25,6 @@ #include "math_special.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include "update.h" #include diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp index 3ea3747467..40a42cd44b 100644 --- a/src/MANYBODY/pair_vashishta.cpp +++ b/src/MANYBODY/pair_vashishta.cpp @@ -19,9 +19,6 @@ #include "pair_vashishta.h" -#include - -#include #include "atom.h" #include "comm.h" #include "error.h" @@ -30,10 +27,11 @@ #include "neighbor.h" #include "neigh_list.h" #include "neigh_request.h" - -#include "tokenizer.h" #include "potential_file_reader.h" +#include +#include + using namespace LAMMPS_NS; #define DELTA 4 diff --git a/src/MC/fix_mol_swap.cpp b/src/MC/fix_mol_swap.cpp index 8d7c2bf367..399efb419b 100644 --- a/src/MC/fix_mol_swap.cpp +++ b/src/MC/fix_mol_swap.cpp @@ -32,6 +32,8 @@ #include "random_park.h" #include "update.h" +#include + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MEAM/meam.h b/src/MEAM/meam.h index 5205e01ec8..237ffed8aa 100644 --- a/src/MEAM/meam.h +++ b/src/MEAM/meam.h @@ -14,8 +14,6 @@ #ifndef LMP_MEAM_H #define LMP_MEAM_H -#include "math_const.h" // IWYU pragma: export - #include #include diff --git a/src/MEAM/meam_setup_param.cpp b/src/MEAM/meam_setup_param.cpp index 081612f70e..b15b70e263 100644 --- a/src/MEAM/meam_setup_param.cpp +++ b/src/MEAM/meam_setup_param.cpp @@ -20,7 +20,7 @@ #include using namespace LAMMPS_NS; -using namespace MathConst; +using MathConst::MY_PI; // do a sanity check on index parameters void diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index e8c6c942a4..6c240fc40a 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -28,7 +28,6 @@ #include "neigh_request.h" #include "neighbor.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include #include diff --git a/src/MISC/pair_agni.cpp b/src/MISC/pair_agni.cpp index 46d782e899..f614dd9c36 100644 --- a/src/MISC/pair_agni.cpp +++ b/src/MISC/pair_agni.cpp @@ -29,7 +29,6 @@ #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" -#include "tokenizer.h" #include "potential_file_reader.h" #include diff --git a/src/MISC/pair_list.cpp b/src/MISC/pair_list.cpp index f5c82ed5e6..d7d59e90d3 100644 --- a/src/MISC/pair_list.cpp +++ b/src/MISC/pair_list.cpp @@ -24,12 +24,11 @@ #include "force.h" #include "memory.h" #include "text_file_reader.h" -#include "tokenizer.h" #include #include +#include #include -#include using namespace LAMMPS_NS; diff --git a/src/ML-IAP/mliap_model_linear.cpp b/src/ML-IAP/mliap_model_linear.cpp index 08654783d8..066a19816f 100644 --- a/src/ML-IAP/mliap_model_linear.cpp +++ b/src/ML-IAP/mliap_model_linear.cpp @@ -17,7 +17,7 @@ ------------------------------------------------------------------------- */ #include "mliap_model_linear.h" -#include "pair_mliap.h" + #include "mliap_data.h" #include "error.h" diff --git a/src/ML-IAP/mliap_model_nn.cpp b/src/ML-IAP/mliap_model_nn.cpp index 853f1d9c6c..24fddda766 100644 --- a/src/ML-IAP/mliap_model_nn.cpp +++ b/src/ML-IAP/mliap_model_nn.cpp @@ -19,7 +19,6 @@ #include "mliap_model_nn.h" #include "mliap_data.h" -#include "pair_mliap.h" #include "comm.h" #include "error.h" diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index 34f54ef26c..01231b4b0e 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -39,11 +39,11 @@ #include "memory.h" #include "potential_file_reader.h" #include "respa.h" -#include "tokenizer.h" #include "update.h" #include #include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/OPENMP/pair_eam_alloy_omp.cpp b/src/OPENMP/pair_eam_alloy_omp.cpp index 814533c9f8..4914186f46 100644 --- a/src/OPENMP/pair_eam_alloy_omp.cpp +++ b/src/OPENMP/pair_eam_alloy_omp.cpp @@ -23,7 +23,6 @@ #include "error.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include diff --git a/src/OPENMP/pair_eam_fs_omp.cpp b/src/OPENMP/pair_eam_fs_omp.cpp index 395b79701a..ea7bb11794 100644 --- a/src/OPENMP/pair_eam_fs_omp.cpp +++ b/src/OPENMP/pair_eam_fs_omp.cpp @@ -23,7 +23,6 @@ #include "error.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include diff --git a/src/OPENMP/pair_harmonic_cut_omp.cpp b/src/OPENMP/pair_harmonic_cut_omp.cpp index 6fcdc50a63..dd7be3ba36 100644 --- a/src/OPENMP/pair_harmonic_cut_omp.cpp +++ b/src/OPENMP/pair_harmonic_cut_omp.cpp @@ -20,6 +20,8 @@ #include "neigh_list.h" #include "suffix.h" +#include + #include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/OPENMP/pair_peri_lps_omp.cpp b/src/OPENMP/pair_peri_lps_omp.cpp index 0eefe8d55c..3e1a37ade9 100644 --- a/src/OPENMP/pair_peri_lps_omp.cpp +++ b/src/OPENMP/pair_peri_lps_omp.cpp @@ -23,7 +23,6 @@ #include "lattice.h" #include "math_const.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" #include "neighbor.h" #include "suffix.h" diff --git a/src/OPENMP/pair_peri_pmb_omp.cpp b/src/OPENMP/pair_peri_pmb_omp.cpp index 54d5969d8f..25f36f2d22 100644 --- a/src/OPENMP/pair_peri_pmb_omp.cpp +++ b/src/OPENMP/pair_peri_pmb_omp.cpp @@ -22,7 +22,6 @@ #include "force.h" #include "lattice.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" #include "suffix.h" diff --git a/src/OPENMP/pair_tersoff_zbl_omp.cpp b/src/OPENMP/pair_tersoff_zbl_omp.cpp index 9541695611..4b3034a204 100644 --- a/src/OPENMP/pair_tersoff_zbl_omp.cpp +++ b/src/OPENMP/pair_tersoff_zbl_omp.cpp @@ -25,7 +25,6 @@ #include "math_special.h" #include "memory.h" #include "potential_file_reader.h" -#include "tokenizer.h" #include "update.h" #include diff --git a/src/OPENMP/reaxff_bond_orders_omp.cpp b/src/OPENMP/reaxff_bond_orders_omp.cpp index 2fe68280d1..38901807c2 100644 --- a/src/OPENMP/reaxff_bond_orders_omp.cpp +++ b/src/OPENMP/reaxff_bond_orders_omp.cpp @@ -28,7 +28,6 @@ #include "reaxff_omp.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/OPENMP/reaxff_bonds_omp.cpp b/src/OPENMP/reaxff_bonds_omp.cpp index 1a97f2a6af..41fb7a822a 100644 --- a/src/OPENMP/reaxff_bonds_omp.cpp +++ b/src/OPENMP/reaxff_bonds_omp.cpp @@ -27,7 +27,6 @@ #include "reaxff_omp.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/OPENMP/reaxff_forces_omp.cpp b/src/OPENMP/reaxff_forces_omp.cpp index 77106a5e44..3cb938213f 100644 --- a/src/OPENMP/reaxff_forces_omp.cpp +++ b/src/OPENMP/reaxff_forces_omp.cpp @@ -30,7 +30,6 @@ #include "reaxff_omp.h" #include "error.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/OPENMP/reaxff_hydrogen_bonds_omp.cpp b/src/OPENMP/reaxff_hydrogen_bonds_omp.cpp index 64bbbf56b1..e8db77389f 100644 --- a/src/OPENMP/reaxff_hydrogen_bonds_omp.cpp +++ b/src/OPENMP/reaxff_hydrogen_bonds_omp.cpp @@ -29,7 +29,6 @@ #include "reaxff_omp.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/OPENMP/reaxff_init_md_omp.cpp b/src/OPENMP/reaxff_init_md_omp.cpp index a0100e648a..c1f6504c6e 100644 --- a/src/OPENMP/reaxff_init_md_omp.cpp +++ b/src/OPENMP/reaxff_init_md_omp.cpp @@ -29,8 +29,6 @@ #include "reaxff_omp.h" #include "reaxff_api.h" -#include "error.h" - #include #include diff --git a/src/OPENMP/reaxff_multi_body_omp.cpp b/src/OPENMP/reaxff_multi_body_omp.cpp index 17b93d7487..25fcb6a0cf 100644 --- a/src/OPENMP/reaxff_multi_body_omp.cpp +++ b/src/OPENMP/reaxff_multi_body_omp.cpp @@ -29,7 +29,6 @@ #include "reaxff_omp.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/OPENMP/reaxff_torsion_angles_omp.cpp b/src/OPENMP/reaxff_torsion_angles_omp.cpp index 648603b143..3b730e26d4 100644 --- a/src/OPENMP/reaxff_torsion_angles_omp.cpp +++ b/src/OPENMP/reaxff_torsion_angles_omp.cpp @@ -29,7 +29,6 @@ #include "reaxff_omp.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/OPENMP/reaxff_valence_angles_omp.cpp b/src/OPENMP/reaxff_valence_angles_omp.cpp index 423b6336df..c7c3ef6323 100644 --- a/src/OPENMP/reaxff_valence_angles_omp.cpp +++ b/src/OPENMP/reaxff_valence_angles_omp.cpp @@ -30,7 +30,6 @@ #include "reaxff_omp.h" #include "error.h" -#include "fix_omp.h" #include "pair_reaxff_omp.h" #include "reaxff_api.h" diff --git a/src/PERI/compute_damage_atom.cpp b/src/PERI/compute_damage_atom.cpp index 6349d324b2..80aff909ae 100644 --- a/src/PERI/compute_damage_atom.cpp +++ b/src/PERI/compute_damage_atom.cpp @@ -26,8 +26,6 @@ #include "modify.h" #include "update.h" -#include - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/PERI/compute_dilatation_atom.cpp b/src/PERI/compute_dilatation_atom.cpp index fe78bc76bf..7bf2679443 100644 --- a/src/PERI/compute_dilatation_atom.cpp +++ b/src/PERI/compute_dilatation_atom.cpp @@ -27,8 +27,6 @@ #include "pair.h" #include "update.h" -#include - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/PERI/compute_plasticity_atom.cpp b/src/PERI/compute_plasticity_atom.cpp index 11ecdfb7ec..e22c8765b4 100644 --- a/src/PERI/compute_plasticity_atom.cpp +++ b/src/PERI/compute_plasticity_atom.cpp @@ -27,8 +27,6 @@ #include "modify.h" #include "update.h" -#include - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/PERI/pair_peri.cpp b/src/PERI/pair_peri.cpp index 44c83661c9..a13b6adad1 100644 --- a/src/PERI/pair_peri.cpp +++ b/src/PERI/pair_peri.cpp @@ -20,7 +20,6 @@ #include "lattice.h" #include "memory.h" #include "modify.h" -#include "neigh_request.h" #include "neighbor.h" #include diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp index 8d1aa9b49f..175adadb47 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -28,7 +28,6 @@ #include "math_const.h" #include "math_special.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" #include "neighbor.h" diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index f7c024983b..c0136ff586 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -27,7 +27,6 @@ #include "lattice.h" #include "math_const.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" #include "neighbor.h" diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp index 0f88f0d80a..8743600d6e 100644 --- a/src/PERI/pair_peri_pmb.cpp +++ b/src/PERI/pair_peri_pmb.cpp @@ -26,9 +26,7 @@ #include "force.h" #include "lattice.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" -#include "neighbor.h" #include #include diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index 522d05e04f..f0ae16899d 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -26,7 +26,6 @@ #include "force.h" #include "lattice.h" #include "memory.h" -#include "modify.h" #include "neigh_list.h" #include "neighbor.h" #include "update.h" diff --git a/src/PHONON/dynamical_matrix.cpp b/src/PHONON/dynamical_matrix.cpp index 11dc5625b9..57b82fbe64 100644 --- a/src/PHONON/dynamical_matrix.cpp +++ b/src/PHONON/dynamical_matrix.cpp @@ -22,7 +22,6 @@ #include "atom.h" #include "bond.h" #include "comm.h" -#include "compute.h" #include "dihedral.h" #include "domain.h" #include "error.h" diff --git a/src/REAXFF/fix_acks2_reaxff.cpp b/src/REAXFF/fix_acks2_reaxff.cpp index 21cce5b55a..ee017b8be0 100644 --- a/src/REAXFF/fix_acks2_reaxff.cpp +++ b/src/REAXFF/fix_acks2_reaxff.cpp @@ -22,20 +22,14 @@ #include "citeme.h" #include "comm.h" #include "error.h" -#include "fix_efield.h" #include "force.h" -#include "group.h" #include "memory.h" #include "neigh_list.h" -#include "neigh_request.h" -#include "neighbor.h" #include "pair.h" #include "pair_reaxff.h" #include "reaxff_api.h" -#include "respa.h" #include "text_file_reader.h" #include "update.h" -#include "utils.h" #include #include diff --git a/src/REAXFF/fix_qeq_reaxff.cpp b/src/REAXFF/fix_qeq_reaxff.cpp index 08a4e21fe5..361c6e9ce6 100644 --- a/src/REAXFF/fix_qeq_reaxff.cpp +++ b/src/REAXFF/fix_qeq_reaxff.cpp @@ -30,6 +30,7 @@ #include "force.h" #include "group.h" #include "memory.h" +#include "modify.h" #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" @@ -45,7 +46,6 @@ #include #include #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/REAXFF/fix_reaxff_bonds.cpp b/src/REAXFF/fix_reaxff_bonds.cpp index 740a32a0a6..30c55d8f1a 100644 --- a/src/REAXFF/fix_reaxff_bonds.cpp +++ b/src/REAXFF/fix_reaxff_bonds.cpp @@ -28,8 +28,6 @@ #include "pair_reaxff.h" #include "reaxff_api.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; using namespace ReaxFF; diff --git a/src/REAXFF/fix_reaxff_species.cpp b/src/REAXFF/fix_reaxff_species.cpp index bed7fabb20..ac556ade9e 100644 --- a/src/REAXFF/fix_reaxff_species.cpp +++ b/src/REAXFF/fix_reaxff_species.cpp @@ -34,6 +34,7 @@ #include "reaxff_defs.h" #include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/command.h b/src/command.h index 5e5f9d45bd..f1e754325e 100644 --- a/src/command.h +++ b/src/command.h @@ -14,7 +14,7 @@ #ifndef LMP_COMMAND_H #define LMP_COMMAND_H -#include "pointers.h" +#include "pointers.h" // IWYU pragma: keep namespace LAMMPS_NS { diff --git a/src/fix_dt_reset.cpp b/src/fix_dt_reset.cpp index adb0082fc8..2c73cc07ce 100644 --- a/src/fix_dt_reset.cpp +++ b/src/fix_dt_reset.cpp @@ -14,9 +14,7 @@ #include "fix_dt_reset.h" #include "atom.h" -#include "comm.h" #include "domain.h" -#include "dump.h" #include "error.h" #include "fix.h" #include "force.h" diff --git a/src/info.cpp b/src/info.cpp index 66430c6f4b..1beadff753 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -40,7 +40,6 @@ #include "pair.h" #include "pair_hybrid.h" #include "region.h" -#include "text_file_reader.h" #include "update.h" #include "variable.h" #include "fmt/chrono.h" @@ -49,7 +48,6 @@ #include #include #include -#include #include #ifdef _WIN32 @@ -62,7 +60,6 @@ #include #else #include -#include #endif #if defined(__linux__) diff --git a/src/input.cpp b/src/input.cpp index 980a2c1e1f..336dfd584f 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -50,7 +50,6 @@ #include #include #include -#include using namespace LAMMPS_NS; diff --git a/src/nbin.h b/src/nbin.h index 5d410cb46f..40a749fb34 100644 --- a/src/nbin.h +++ b/src/nbin.h @@ -14,7 +14,7 @@ #ifndef LMP_NBIN_H #define LMP_NBIN_H -#include "pointers.h" +#include "pointers.h" // IWYU pragma: keep namespace LAMMPS_NS { diff --git a/src/npair.h b/src/npair.h index bd14dc3b24..b35f93d22b 100644 --- a/src/npair.h +++ b/src/npair.h @@ -14,7 +14,7 @@ #ifndef LMP_NPAIR_H #define LMP_NPAIR_H -#include "pointers.h" +#include "pointers.h" // IWYU pragma: keep namespace LAMMPS_NS { diff --git a/src/nstencil.h b/src/nstencil.h index 480cd9c5b4..d16b10f1b8 100644 --- a/src/nstencil.h +++ b/src/nstencil.h @@ -14,7 +14,7 @@ #ifndef LMP_NSTENCIL_H #define LMP_NSTENCIL_H -#include "pointers.h" +#include "pointers.h" // IWYU pragma: keep namespace LAMMPS_NS { diff --git a/src/ntopo.h b/src/ntopo.h index 8015054490..0cc1f79139 100644 --- a/src/ntopo.h +++ b/src/ntopo.h @@ -14,7 +14,7 @@ #ifndef LMP_NTOPO_H #define LMP_NTOPO_H -#include "pointers.h" +#include "pointers.h" // IWYU pragma: keep namespace LAMMPS_NS { diff --git a/src/platform.cpp b/src/platform.cpp index 708a42be8a..976c0fdaeb 100644 --- a/src/platform.cpp +++ b/src/platform.cpp @@ -19,9 +19,8 @@ #include "text_file_reader.h" #include "utils.h" -#if HAVE_MPI #include -#endif +#include //////////////////////////////////////////////////////////////////////// // include system headers and tweak system settings @@ -50,7 +49,6 @@ #include #include #include -#include #include #include #include diff --git a/src/platform.h b/src/platform.h index 45f74ee4ea..5d1a7259e9 100644 --- a/src/platform.h +++ b/src/platform.h @@ -18,6 +18,7 @@ #include "lmptype.h" +#include #include #include diff --git a/src/potential_file_reader.h b/src/potential_file_reader.h index a9d7fa8383..e7484a96ac 100644 --- a/src/potential_file_reader.h +++ b/src/potential_file_reader.h @@ -18,8 +18,8 @@ #ifndef LMP_POTENTIAL_FILE_READER_H #define LMP_POTENTIAL_FILE_READER_H -#include "pointers.h" // IWYU pragma: export -#include "tokenizer.h" +#include "pointers.h" // IWYU pragma: export +#include "tokenizer.h" // IWYU pragma: export namespace LAMMPS_NS { class TextFileReader; diff --git a/src/read_data.cpp b/src/read_data.cpp index dda418b8a2..a46602d84a 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -40,7 +40,6 @@ #include #include -#include #include using namespace LAMMPS_NS; diff --git a/src/utils.cpp b/src/utils.cpp index c60908a2f2..ed119db886 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -22,11 +22,9 @@ #include "memory.h" #include "modify.h" #include "text_file_reader.h" -#include "tokenizer.h" #include "update.h" #include "universe.h" -#include #include #include #include diff --git a/tools/binary2txt.cpp b/tools/binary2txt.cpp index dfa81e8a6e..d3c5dba1b5 100644 --- a/tools/binary2txt.cpp +++ b/tools/binary2txt.cpp @@ -29,7 +29,6 @@ // g++ -g -DLAMMPS_BIGBIG binarytxt.o -o binary2txt // again -DLAMMPS_SMALLBIG is the default -#include #define __STDC_FORMAT_MACROS #include