diff --git a/src/USER-OMP/angle_charmm_omp.cpp b/src/USER-OMP/angle_charmm_omp.cpp index 6933afdcd9..abc23367b1 100644 --- a/src/USER-OMP/angle_charmm_omp.cpp +++ b/src/USER-OMP/angle_charmm_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_class2_omp.cpp b/src/USER-OMP/angle_class2_omp.cpp index 09ee59d5af..b33b1c2e2f 100644 --- a/src/USER-OMP/angle_class2_omp.cpp +++ b/src/USER-OMP/angle_class2_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_delta_omp.cpp b/src/USER-OMP/angle_cosine_delta_omp.cpp index ca5afe1449..0c209d3fe5 100644 --- a/src/USER-OMP/angle_cosine_delta_omp.cpp +++ b/src/USER-OMP/angle_cosine_delta_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_omp.cpp b/src/USER-OMP/angle_cosine_omp.cpp index 48fdd9ba60..cbeb10e08c 100644 --- a/src/USER-OMP/angle_cosine_omp.cpp +++ b/src/USER-OMP/angle_cosine_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_periodic_omp.cpp b/src/USER-OMP/angle_cosine_periodic_omp.cpp index a0e45fe131..b59046031a 100644 --- a/src/USER-OMP/angle_cosine_periodic_omp.cpp +++ b/src/USER-OMP/angle_cosine_periodic_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "math_special.h" #include "suffix.h" diff --git a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp index 21019336b3..4870e6a3bb 100644 --- a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp +++ b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_shift_omp.cpp b/src/USER-OMP/angle_cosine_shift_omp.cpp index 1e6d712b62..bec65caf6d 100644 --- a/src/USER-OMP/angle_cosine_shift_omp.cpp +++ b/src/USER-OMP/angle_cosine_shift_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_cosine_squared_omp.cpp b/src/USER-OMP/angle_cosine_squared_omp.cpp index 6df1e028a0..dced90a967 100644 --- a/src/USER-OMP/angle_cosine_squared_omp.cpp +++ b/src/USER-OMP/angle_cosine_squared_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_dipole_omp.cpp b/src/USER-OMP/angle_dipole_omp.cpp index 26d8a7817e..cea707161f 100644 --- a/src/USER-OMP/angle_dipole_omp.cpp +++ b/src/USER-OMP/angle_dipole_omp.cpp @@ -23,7 +23,7 @@ #include "error.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_fourier_omp.cpp b/src/USER-OMP/angle_fourier_omp.cpp index b6ddea3ff9..ec9236902c 100644 --- a/src/USER-OMP/angle_fourier_omp.cpp +++ b/src/USER-OMP/angle_fourier_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_fourier_simple_omp.cpp b/src/USER-OMP/angle_fourier_simple_omp.cpp index 992acf7c99..774f06f809 100644 --- a/src/USER-OMP/angle_fourier_simple_omp.cpp +++ b/src/USER-OMP/angle_fourier_simple_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_harmonic_omp.cpp b/src/USER-OMP/angle_harmonic_omp.cpp index 0cfc6f95af..5c81e3cba4 100644 --- a/src/USER-OMP/angle_harmonic_omp.cpp +++ b/src/USER-OMP/angle_harmonic_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_quartic_omp.cpp b/src/USER-OMP/angle_quartic_omp.cpp index a774edb8c4..d6e9285f11 100644 --- a/src/USER-OMP/angle_quartic_omp.cpp +++ b/src/USER-OMP/angle_quartic_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/angle_sdk_omp.cpp b/src/USER-OMP/angle_sdk_omp.cpp index e0bc021f1b..45d6c83aa1 100644 --- a/src/USER-OMP/angle_sdk_omp.cpp +++ b/src/USER-OMP/angle_sdk_omp.cpp @@ -20,7 +20,7 @@ #include #include "atom.h" #include "neighbor.h" -#include "timer.h" + #include "comm.h" #include "force.h" #include "lj_sdk_common.h" diff --git a/src/USER-OMP/angle_table_omp.cpp b/src/USER-OMP/angle_table_omp.cpp index 1af60f85f6..f67d340176 100644 --- a/src/USER-OMP/angle_table_omp.cpp +++ b/src/USER-OMP/angle_table_omp.cpp @@ -22,7 +22,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_class2_omp.cpp b/src/USER-OMP/bond_class2_omp.cpp index 06edf46024..9c52bdb281 100644 --- a/src/USER-OMP/bond_class2_omp.cpp +++ b/src/USER-OMP/bond_class2_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/bond_fene_expand_omp.cpp b/src/USER-OMP/bond_fene_expand_omp.cpp index 5f3dd48841..38df4f50da 100644 --- a/src/USER-OMP/bond_fene_expand_omp.cpp +++ b/src/USER-OMP/bond_fene_expand_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "error.h" #include "update.h" diff --git a/src/USER-OMP/bond_fene_omp.cpp b/src/USER-OMP/bond_fene_omp.cpp index ebf5afdc57..5dde355a76 100644 --- a/src/USER-OMP/bond_fene_omp.cpp +++ b/src/USER-OMP/bond_fene_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "error.h" #include "update.h" diff --git a/src/USER-OMP/bond_gromos_omp.cpp b/src/USER-OMP/bond_gromos_omp.cpp index d4d2d25601..012737f77d 100644 --- a/src/USER-OMP/bond_gromos_omp.cpp +++ b/src/USER-OMP/bond_gromos_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/bond_harmonic_omp.cpp b/src/USER-OMP/bond_harmonic_omp.cpp index 9160ee7023..e8f17d5eae 100644 --- a/src/USER-OMP/bond_harmonic_omp.cpp +++ b/src/USER-OMP/bond_harmonic_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp index 7a6c616e4a..61a60fa995 100644 --- a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp +++ b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/bond_harmonic_shift_omp.cpp b/src/USER-OMP/bond_harmonic_shift_omp.cpp index 19f0a08510..50b4ed98a7 100644 --- a/src/USER-OMP/bond_harmonic_shift_omp.cpp +++ b/src/USER-OMP/bond_harmonic_shift_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/bond_morse_omp.cpp b/src/USER-OMP/bond_morse_omp.cpp index 90318c8faf..51586370f5 100644 --- a/src/USER-OMP/bond_morse_omp.cpp +++ b/src/USER-OMP/bond_morse_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/bond_nonlinear_omp.cpp b/src/USER-OMP/bond_nonlinear_omp.cpp index 809950f2b7..720d660eae 100644 --- a/src/USER-OMP/bond_nonlinear_omp.cpp +++ b/src/USER-OMP/bond_nonlinear_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/bond_quartic_omp.cpp b/src/USER-OMP/bond_quartic_omp.cpp index 0efaa10e37..bc1ae96ac9 100644 --- a/src/USER-OMP/bond_quartic_omp.cpp +++ b/src/USER-OMP/bond_quartic_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include "pair.h" #include diff --git a/src/USER-OMP/bond_table_omp.cpp b/src/USER-OMP/bond_table_omp.cpp index f503bcab26..3ccc65441a 100644 --- a/src/USER-OMP/bond_table_omp.cpp +++ b/src/USER-OMP/bond_table_omp.cpp @@ -21,7 +21,7 @@ #include "comm.h" #include "force.h" #include "neighbor.h" -#include "timer.h" + #include diff --git a/src/USER-OMP/dihedral_charmm_omp.cpp b/src/USER-OMP/dihedral_charmm_omp.cpp index afd3071434..8454dc1004 100644 --- a/src/USER-OMP/dihedral_charmm_omp.cpp +++ b/src/USER-OMP/dihedral_charmm_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "pair.h" #include "update.h" diff --git a/src/USER-OMP/dihedral_class2_omp.cpp b/src/USER-OMP/dihedral_class2_omp.cpp index 49b8659e2f..cf65d735a6 100644 --- a/src/USER-OMP/dihedral_class2_omp.cpp +++ b/src/USER-OMP/dihedral_class2_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp index cea22adf1b..5d9164d3b3 100644 --- a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp +++ b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/dihedral_fourier_omp.cpp b/src/USER-OMP/dihedral_fourier_omp.cpp index 756931774a..be19a6d958 100644 --- a/src/USER-OMP/dihedral_fourier_omp.cpp +++ b/src/USER-OMP/dihedral_fourier_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/dihedral_harmonic_omp.cpp b/src/USER-OMP/dihedral_harmonic_omp.cpp index d1f511954e..3d51a4db43 100644 --- a/src/USER-OMP/dihedral_harmonic_omp.cpp +++ b/src/USER-OMP/dihedral_harmonic_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/dihedral_helix_omp.cpp b/src/USER-OMP/dihedral_helix_omp.cpp index 5289fc2c62..5209fac23a 100644 --- a/src/USER-OMP/dihedral_helix_omp.cpp +++ b/src/USER-OMP/dihedral_helix_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "math_const.h" diff --git a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp index edf8a20899..a6e0ab66d6 100644 --- a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp +++ b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/dihedral_nharmonic_omp.cpp b/src/USER-OMP/dihedral_nharmonic_omp.cpp index bf51a01713..4604771912 100644 --- a/src/USER-OMP/dihedral_nharmonic_omp.cpp +++ b/src/USER-OMP/dihedral_nharmonic_omp.cpp @@ -24,7 +24,7 @@ #include "force.h" #include "update.h" #include "error.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/dihedral_opls_omp.cpp b/src/USER-OMP/dihedral_opls_omp.cpp index 8814d3f3f0..ff0f6bb12b 100644 --- a/src/USER-OMP/dihedral_opls_omp.cpp +++ b/src/USER-OMP/dihedral_opls_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/dihedral_quadratic_omp.cpp b/src/USER-OMP/dihedral_quadratic_omp.cpp index e61c5f0d85..5ffb8d64f2 100644 --- a/src/USER-OMP/dihedral_quadratic_omp.cpp +++ b/src/USER-OMP/dihedral_quadratic_omp.cpp @@ -24,7 +24,7 @@ #include "force.h" #include "update.h" #include "error.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/dihedral_table_omp.cpp b/src/USER-OMP/dihedral_table_omp.cpp index bf5332a1c1..c18d5fb4c0 100644 --- a/src/USER-OMP/dihedral_table_omp.cpp +++ b/src/USER-OMP/dihedral_table_omp.cpp @@ -23,7 +23,7 @@ #include "domain.h" #include "neighbor.h" #include "force.h" -#include "timer.h" + #include "math_const.h" #include "math_extra.h" diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp index 47757c4ec3..f3c86a7746 100644 --- a/src/USER-OMP/fix_omp.cpp +++ b/src/USER-OMP/fix_omp.cpp @@ -16,7 +16,9 @@ OpenMP based threading support for LAMMPS ------------------------------------------------------------------------- */ -#include "omp_compat.h" +#include "fix_omp.h" +#include "thr_data.h" + #include "atom.h" #include "comm.h" #include "error.h" @@ -25,10 +27,6 @@ #include "neigh_request.h" #include "universe.h" #include "update.h" -#include "timer.h" - -#include "fix_omp.h" -#include "thr_data.h" #include "pair_hybrid.h" #include "bond_hybrid.h" @@ -39,6 +37,7 @@ #include +#include "omp_compat.h" #if defined(_OPENMP) #include #endif diff --git a/src/USER-OMP/fix_rigid_nh_omp.cpp b/src/USER-OMP/fix_rigid_nh_omp.cpp index f53fcf63bc..9038efec13 100644 --- a/src/USER-OMP/fix_rigid_nh_omp.cpp +++ b/src/USER-OMP/fix_rigid_nh_omp.cpp @@ -31,7 +31,7 @@ #include "kspace.h" #include "modify.h" #include "update.h" -#include "timer.h" + #if defined(_OPENMP) #include diff --git a/src/USER-OMP/fix_rigid_small_omp.cpp b/src/USER-OMP/fix_rigid_small_omp.cpp index 227b0e1f8a..f720dd617e 100644 --- a/src/USER-OMP/fix_rigid_small_omp.cpp +++ b/src/USER-OMP/fix_rigid_small_omp.cpp @@ -24,7 +24,7 @@ #include "atom_vec_tri.h" #include "comm.h" #include "domain.h" -#include "timer.h" + #if defined(_OPENMP) #include diff --git a/src/USER-OMP/improper_class2_omp.cpp b/src/USER-OMP/improper_class2_omp.cpp index 8927980951..05fc8e4475 100644 --- a/src/USER-OMP/improper_class2_omp.cpp +++ b/src/USER-OMP/improper_class2_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/improper_cossq_omp.cpp b/src/USER-OMP/improper_cossq_omp.cpp index 72d76e8c42..e2a43c58c4 100644 --- a/src/USER-OMP/improper_cossq_omp.cpp +++ b/src/USER-OMP/improper_cossq_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/improper_cvff_omp.cpp b/src/USER-OMP/improper_cvff_omp.cpp index e9ff4bfc73..715819cfb9 100644 --- a/src/USER-OMP/improper_cvff_omp.cpp +++ b/src/USER-OMP/improper_cvff_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/improper_fourier_omp.cpp b/src/USER-OMP/improper_fourier_omp.cpp index 3763465e79..93dfb9bc99 100644 --- a/src/USER-OMP/improper_fourier_omp.cpp +++ b/src/USER-OMP/improper_fourier_omp.cpp @@ -23,7 +23,7 @@ #include "force.h" #include "neighbor.h" #include "suffix.h" -#include "timer.h" + #include "update.h" #include diff --git a/src/USER-OMP/improper_harmonic_omp.cpp b/src/USER-OMP/improper_harmonic_omp.cpp index 8bef42bf23..6bb76871b2 100644 --- a/src/USER-OMP/improper_harmonic_omp.cpp +++ b/src/USER-OMP/improper_harmonic_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/improper_umbrella_omp.cpp b/src/USER-OMP/improper_umbrella_omp.cpp index bf466afb19..0c9befade6 100644 --- a/src/USER-OMP/improper_umbrella_omp.cpp +++ b/src/USER-OMP/improper_umbrella_omp.cpp @@ -21,7 +21,7 @@ #include "atom.h" #include "comm.h" #include "neighbor.h" -#include "timer.h" + #include "force.h" #include "update.h" #include "error.h" diff --git a/src/USER-OMP/msm_cg_omp.cpp b/src/USER-OMP/msm_cg_omp.cpp index 93904fd8f8..c42aa8e0c1 100644 --- a/src/USER-OMP/msm_cg_omp.cpp +++ b/src/USER-OMP/msm_cg_omp.cpp @@ -31,6 +31,9 @@ #include #include "omp_compat.h" +#if defined(_OPENMP) +#include +#endif using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_adp_omp.cpp b/src/USER-OMP/pair_adp_omp.cpp index 63a539c93c..97d94e5513 100644 --- a/src/USER-OMP/pair_adp_omp.cpp +++ b/src/USER-OMP/pair_adp_omp.cpp @@ -12,19 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include -#include #include "pair_adp_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" #include "memory.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_airebo_morse_omp.cpp b/src/USER-OMP/pair_airebo_morse_omp.cpp index 5d5ac0b885..6977842af2 100644 --- a/src/USER-OMP/pair_airebo_morse_omp.cpp +++ b/src/USER-OMP/pair_airebo_morse_omp.cpp @@ -12,8 +12,6 @@ ------------------------------------------------------------------------- */ #include "pair_airebo_morse_omp.h" -#include "error.h" -#include "force.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp index 25d6c35174..77dd874076 100644 --- a/src/USER-OMP/pair_airebo_omp.cpp +++ b/src/USER-OMP/pair_airebo_omp.cpp @@ -12,19 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_airebo_omp.h" + #include "atom.h" #include "comm.h" #include "error.h" -#include "force.h" +#include "math_special.h" #include "memory.h" #include "my_page.h" -#include "math_special.h" -#include "neighbor.h" #include "neigh_list.h" +#include + +#include "omp_compat.h" #if defined(_OPENMP) #include #endif diff --git a/src/USER-OMP/pair_beck_omp.cpp b/src/USER-OMP/pair_beck_omp.cpp index bb41334153..01e33dc5c5 100644 --- a/src/USER-OMP/pair_beck_omp.cpp +++ b/src/USER-OMP/pair_beck_omp.cpp @@ -20,7 +20,7 @@ #include "force.h" #include "neigh_list.h" #include "math_special.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_born_coul_long_omp.cpp b/src/USER-OMP/pair_born_coul_long_omp.cpp index 7f92ab6734..b410c998e1 100644 --- a/src/USER-OMP/pair_born_coul_long_omp.cpp +++ b/src/USER-OMP/pair_born_coul_long_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_born_coul_long_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_born_coul_msm_omp.cpp b/src/USER-OMP/pair_born_coul_msm_omp.cpp index eec1765859..4adba396e8 100644 --- a/src/USER-OMP/pair_born_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_born_coul_msm_omp.cpp @@ -12,17 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_born_coul_msm_omp.h" + #include "atom.h" #include "comm.h" +#include "error.h" #include "force.h" #include "kspace.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_born_coul_wolf_omp.cpp b/src/USER-OMP/pair_born_coul_wolf_omp.cpp index ffa069ec4e..9bc6507c6a 100644 --- a/src/USER-OMP/pair_born_coul_wolf_omp.cpp +++ b/src/USER-OMP/pair_born_coul_wolf_omp.cpp @@ -20,7 +20,7 @@ #include "force.h" #include "neigh_list.h" #include "math_const.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_born_omp.cpp b/src/USER-OMP/pair_born_omp.cpp index aaac28d07c..e74f0139c1 100644 --- a/src/USER-OMP/pair_born_omp.cpp +++ b/src/USER-OMP/pair_born_omp.cpp @@ -19,7 +19,7 @@ #include "comm.h" #include "force.h" #include "neigh_list.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_brownian_omp.cpp b/src/USER-OMP/pair_brownian_omp.cpp index ca28fa14bb..b7b82c3dac 100644 --- a/src/USER-OMP/pair_brownian_omp.cpp +++ b/src/USER-OMP/pair_brownian_omp.cpp @@ -12,26 +12,25 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "pair_brownian_omp.h" -#include + #include "atom.h" #include "comm.h" #include "domain.h" +#include "fix_wall.h" #include "force.h" #include "input.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "update.h" -#include "variable.h" -#include "random_mars.h" #include "math_const.h" #include "math_special.h" -#include "timer.h" - -#include "fix_wall.h" - +#include "neigh_list.h" +#include "random_mars.h" #include "suffix.h" +#include "update.h" +#include "variable.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathConst; using namespace MathSpecial; diff --git a/src/USER-OMP/pair_brownian_poly_omp.cpp b/src/USER-OMP/pair_brownian_poly_omp.cpp index 939bc223eb..4d8b457281 100644 --- a/src/USER-OMP/pair_brownian_poly_omp.cpp +++ b/src/USER-OMP/pair_brownian_poly_omp.cpp @@ -12,25 +12,25 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "pair_brownian_poly_omp.h" -#include + #include "atom.h" #include "comm.h" #include "domain.h" +#include "fix_wall.h" #include "force.h" #include "input.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "update.h" -#include "variable.h" -#include "random_mars.h" -#include "fix_wall.h" - #include "math_const.h" #include "math_special.h" - +#include "neigh_list.h" +#include "random_mars.h" #include "suffix.h" +#include "update.h" +#include "variable.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathConst; using namespace MathSpecial; diff --git a/src/USER-OMP/pair_buck_coul_long_omp.cpp b/src/USER-OMP/pair_buck_coul_long_omp.cpp index 1be2b7272f..264073a07e 100644 --- a/src/USER-OMP/pair_buck_coul_long_omp.cpp +++ b/src/USER-OMP/pair_buck_coul_long_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_buck_coul_long_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_buck_coul_msm_omp.cpp b/src/USER-OMP/pair_buck_coul_msm_omp.cpp index b26243b19a..631a1ee61d 100644 --- a/src/USER-OMP/pair_buck_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_buck_coul_msm_omp.cpp @@ -12,17 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_buck_coul_msm_omp.h" + #include "atom.h" #include "comm.h" +#include "error.h" #include "force.h" #include "kspace.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp index a2e34b9a1b..71b1540e8c 100644 --- a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp +++ b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp @@ -11,18 +11,18 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ - -#include "omp_compat.h" -#include -#include "math_vector.h" #include "pair_buck_long_coul_long_omp.h" + #include "atom.h" #include "comm.h" -#include "neighbor.h" -#include "neigh_list.h" #include "force.h" - +#include "math_vector.h" +#include "neigh_list.h" #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_buck_omp.cpp b/src/USER-OMP/pair_buck_omp.cpp index fc85d79c81..bddacaf5b5 100644 --- a/src/USER-OMP/pair_buck_omp.cpp +++ b/src/USER-OMP/pair_buck_omp.cpp @@ -19,7 +19,7 @@ #include "comm.h" #include "force.h" #include "neigh_list.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_colloid_omp.cpp b/src/USER-OMP/pair_colloid_omp.cpp index cce588f516..94325232fc 100644 --- a/src/USER-OMP/pair_colloid_omp.cpp +++ b/src/USER-OMP/pair_colloid_omp.cpp @@ -12,18 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_colloid_omp.h" + #include "atom.h" #include "comm.h" #include "error.h" #include "force.h" -#include "neighbor.h" -#include "neigh_list.h" #include "math_special.h" - +#include "neigh_list.h" #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathSpecial; diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp index 8912cbc243..9a0155d6d3 100644 --- a/src/USER-OMP/pair_comb_omp.cpp +++ b/src/USER-OMP/pair_comb_omp.cpp @@ -12,19 +12,21 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_comb_omp.h" + #include "atom.h" #include "comm.h" +#include "error.h" #include "group.h" -#include "force.h" #include "memory.h" #include "my_page.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include "omp_compat.h" +#if defined(_OPENMP) +#include +#endif using namespace LAMMPS_NS; #define MAXNEIGH 24 diff --git a/src/USER-OMP/pair_coul_cut_omp.cpp b/src/USER-OMP/pair_coul_cut_omp.cpp index 69eb9ac0f3..57b821cb8b 100644 --- a/src/USER-OMP/pair_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_coul_cut_omp.cpp @@ -19,7 +19,7 @@ #include "comm.h" #include "force.h" #include "neigh_list.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_coul_debye_omp.cpp b/src/USER-OMP/pair_coul_debye_omp.cpp index c22f7340c4..1bb8676998 100644 --- a/src/USER-OMP/pair_coul_debye_omp.cpp +++ b/src/USER-OMP/pair_coul_debye_omp.cpp @@ -19,7 +19,7 @@ #include "comm.h" #include "force.h" #include "neigh_list.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_coul_dsf_omp.cpp b/src/USER-OMP/pair_coul_dsf_omp.cpp index ddcc8dbeb0..3a8db45634 100644 --- a/src/USER-OMP/pair_coul_dsf_omp.cpp +++ b/src/USER-OMP/pair_coul_dsf_omp.cpp @@ -19,7 +19,7 @@ #include "comm.h" #include "force.h" #include "neigh_list.h" -#include "timer.h" + #include "suffix.h" #include "math_const.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_coul_long_omp.cpp b/src/USER-OMP/pair_coul_long_omp.cpp index 6c9b9d034d..92cb51f7a4 100644 --- a/src/USER-OMP/pair_coul_long_omp.cpp +++ b/src/USER-OMP/pair_coul_long_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_coul_long_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_coul_msm_omp.cpp b/src/USER-OMP/pair_coul_msm_omp.cpp index 32a657e286..e907d63eb1 100644 --- a/src/USER-OMP/pair_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_coul_msm_omp.cpp @@ -12,17 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_coul_msm_omp.h" + #include "atom.h" #include "comm.h" +#include "error.h" #include "force.h" #include "kspace.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_coul_wolf_omp.cpp b/src/USER-OMP/pair_coul_wolf_omp.cpp index d0f6fdb125..71e8148a50 100644 --- a/src/USER-OMP/pair_coul_wolf_omp.cpp +++ b/src/USER-OMP/pair_coul_wolf_omp.cpp @@ -20,7 +20,7 @@ #include "force.h" #include "neigh_list.h" #include "math_const.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_dpd_omp.cpp b/src/USER-OMP/pair_dpd_omp.cpp index f3a1c29a70..6e3da77cbe 100644 --- a/src/USER-OMP/pair_dpd_omp.cpp +++ b/src/USER-OMP/pair_dpd_omp.cpp @@ -21,7 +21,7 @@ #include "neigh_list.h" #include "update.h" #include "random_mars.h" -#include "timer.h" + #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_dpd_tstat_omp.cpp b/src/USER-OMP/pair_dpd_tstat_omp.cpp index 06e80274bd..823367109b 100644 --- a/src/USER-OMP/pair_dpd_tstat_omp.cpp +++ b/src/USER-OMP/pair_dpd_tstat_omp.cpp @@ -12,18 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_dpd_tstat_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" -#include "update.h" #include "random_mars.h" - #include "suffix.h" +#include "update.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EPSILON 1.0e-10 diff --git a/src/USER-OMP/pair_gauss_omp.cpp b/src/USER-OMP/pair_gauss_omp.cpp index 103a766614..3e5777e4ec 100644 --- a/src/USER-OMP/pair_gauss_omp.cpp +++ b/src/USER-OMP/pair_gauss_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_gauss_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EPSILON 1.0e-10 diff --git a/src/USER-OMP/pair_gayberne_omp.cpp b/src/USER-OMP/pair_gayberne_omp.cpp index f0fd60a309..991c72a9be 100644 --- a/src/USER-OMP/pair_gayberne_omp.cpp +++ b/src/USER-OMP/pair_gayberne_omp.cpp @@ -12,18 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_gayberne_omp.h" -#include "math_extra.h" -#include "atom.h" -#include "comm.h" -#include "atom_vec_ellipsoid.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" +#include "atom.h" +#include "atom_vec_ellipsoid.h" +#include "comm.h" +#include "force.h" +#include "math_extra.h" +#include "neigh_list.h" #include "suffix.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj96_cut_omp.cpp b/src/USER-OMP/pair_lj96_cut_omp.cpp index adf0aac9b2..5aeec25d13 100644 --- a/src/USER-OMP/pair_lj96_cut_omp.cpp +++ b/src/USER-OMP/pair_lj96_cut_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj96_cut_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp index 437bd183ed..56cf0a68dd 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_charmm_coul_long_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp index 0000e63cda..a39ef0aa81 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp @@ -12,17 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_charmm_coul_msm_omp.h" + #include "atom.h" #include "comm.h" +#include "error.h" #include "force.h" #include "kspace.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp index 59a6841c9e..63fb4fe529 100644 --- a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_class2_coul_cut_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp index 480e2adae0..f618f7f423 100644 --- a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_class2_coul_long_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_lj_class2_omp.cpp b/src/USER-OMP/pair_lj_class2_omp.cpp index 2b91e10cfa..39cc320e44 100644 --- a/src/USER-OMP/pair_lj_class2_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_class2_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_cubic_omp.cpp b/src/USER-OMP/pair_lj_cubic_omp.cpp index 778c25393d..27f6132491 100644 --- a/src/USER-OMP/pair_lj_cubic_omp.cpp +++ b/src/USER-OMP/pair_lj_cubic_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cubic_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace PairLJCubicConstants; diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp index d560b803f1..2f46e0bfe7 100644 --- a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_coul_cut_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp index 79754e704b..82031f91ab 100644 --- a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_coul_debye_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp index ec69a1a1ca..7ab6f31b3f 100644 --- a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp @@ -12,17 +12,18 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_coul_dsf_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" -#include "neigh_list.h" - -#include "suffix.h" #include "math_const.h" +#include "neigh_list.h" +#include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp index 618986389c..c7b6de8022 100644 --- a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_coul_long_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp index 58e5cee0c2..0e6d11327a 100644 --- a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp @@ -12,17 +12,19 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_coul_msm_omp.h" + #include "atom.h" #include "comm.h" +#include "error.h" #include "force.h" #include "kspace.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp index 7d5d25c39b..2cc915a435 100644 --- a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_dipole_cut_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_omp.cpp index 3e7e92de21..2aa71026e3 100644 --- a/src/USER-OMP/pair_lj_cut_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_omp.cpp @@ -12,16 +12,15 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_cut_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp index fb579fb980..9296050173 100644 --- a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp @@ -32,7 +32,7 @@ #include "math_const.h" #include "error.h" #include "suffix.h" -#include "timer.h" + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pair_lj_expand_omp.cpp b/src/USER-OMP/pair_lj_expand_omp.cpp index 70b5e436fa..89077ba6af 100644 --- a/src/USER-OMP/pair_lj_expand_omp.cpp +++ b/src/USER-OMP/pair_lj_expand_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_expand_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp index 0f0a8de2ff..26a6e979b4 100644 --- a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp +++ b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_gromacs_coul_gromacs_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_omp.cpp index ea2c9e8f55..3082091539 100644 --- a/src/USER-OMP/pair_lj_gromacs_omp.cpp +++ b/src/USER-OMP/pair_lj_gromacs_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_gromacs_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp index e74f487129..d869d91d09 100644 --- a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp +++ b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp @@ -12,17 +12,18 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_long_coul_long_omp.h" + #include "atom.h" #include "comm.h" -#include "math_vector.h" #include "force.h" -#include "neighbor.h" +#include "math_vector.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp index 9c8de110d7..af24e93a41 100644 --- a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp +++ b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp @@ -12,20 +12,21 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_long_tip4p_long_omp.h" + #include "atom.h" -#include "domain.h" #include "comm.h" -#include "math_vector.h" -#include "force.h" -#include "neighbor.h" +#include "domain.h" #include "error.h" +#include "force.h" #include "memory.h" #include "neigh_list.h" - +#include "neighbor.h" #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp index 497c2c3a43..2c0c028189 100644 --- a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp +++ b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_smooth_linear_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lj_smooth_omp.cpp b/src/USER-OMP/pair_lj_smooth_omp.cpp index bdb9b3141e..0b4ea4e5f8 100644 --- a/src/USER-OMP/pair_lj_smooth_omp.cpp +++ b/src/USER-OMP/pair_lj_smooth_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lj_smooth_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_lubricate_omp.cpp b/src/USER-OMP/pair_lubricate_omp.cpp index 9db4239587..827fae8e44 100644 --- a/src/USER-OMP/pair_lubricate_omp.cpp +++ b/src/USER-OMP/pair_lubricate_omp.cpp @@ -12,24 +12,23 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_lubricate_omp.h" + #include "atom.h" #include "comm.h" #include "domain.h" +#include "fix_wall.h" #include "force.h" #include "input.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "update.h" -#include "variable.h" -#include "random_mars.h" -#include "fix_wall.h" -#include "fix_deform.h" #include "math_const.h" - +#include "neigh_list.h" +#include "neighbor.h" #include "suffix.h" +#include "variable.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pair_lubricate_poly_omp.cpp b/src/USER-OMP/pair_lubricate_poly_omp.cpp index dc143a3160..feb110194f 100644 --- a/src/USER-OMP/pair_lubricate_poly_omp.cpp +++ b/src/USER-OMP/pair_lubricate_poly_omp.cpp @@ -12,24 +12,22 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "pair_lubricate_poly_omp.h" -#include + #include "atom.h" #include "comm.h" #include "domain.h" +#include "fix_wall.h" #include "force.h" #include "input.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "update.h" -#include "variable.h" -#include "random_mars.h" -#include "fix_wall.h" -#include "fix_deform.h" #include "math_const.h" - +#include "neigh_list.h" #include "suffix.h" +#include "variable.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pair_morse_omp.cpp b/src/USER-OMP/pair_morse_omp.cpp index 1f566dbd42..48687781ef 100644 --- a/src/USER-OMP/pair_morse_omp.cpp +++ b/src/USER-OMP/pair_morse_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_morse_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp index 08efb73aab..dfc1f428eb 100644 --- a/src/USER-OMP/pair_reaxc_omp.cpp +++ b/src/USER-OMP/pair_reaxc_omp.cpp @@ -48,7 +48,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" -#include "timer.h" + #include "reaxc_defs.h" #include "reaxc_types.h" diff --git a/src/USER-OMP/pair_resquared_omp.cpp b/src/USER-OMP/pair_resquared_omp.cpp index 557d212531..689ff297e5 100644 --- a/src/USER-OMP/pair_resquared_omp.cpp +++ b/src/USER-OMP/pair_resquared_omp.cpp @@ -12,18 +12,16 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_resquared_omp.h" -#include "math_extra.h" + #include "atom.h" #include "comm.h" -#include "atom_vec_ellipsoid.h" #include "force.h" -#include "neighbor.h" +#include "math_extra.h" #include "neigh_list.h" - #include "suffix.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_soft_omp.cpp b/src/USER-OMP/pair_soft_omp.cpp index 85425974cc..f733b5106f 100644 --- a/src/USER-OMP/pair_soft_omp.cpp +++ b/src/USER-OMP/pair_soft_omp.cpp @@ -12,17 +12,18 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_soft_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" #include "math_const.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/pair_table_omp.cpp b/src/USER-OMP/pair_table_omp.cpp index 2546bfdc9a..f5fbabccab 100644 --- a/src/USER-OMP/pair_table_omp.cpp +++ b/src/USER-OMP/pair_table_omp.cpp @@ -12,17 +12,15 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_table_omp.h" + #include "atom.h" #include "comm.h" -#include "error.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_ufm_omp.cpp b/src/USER-OMP/pair_ufm_omp.cpp index 605d6dd2c6..e1c2ff457e 100644 --- a/src/USER-OMP/pair_ufm_omp.cpp +++ b/src/USER-OMP/pair_ufm_omp.cpp @@ -14,16 +14,17 @@ Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_ufm_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_yukawa_colloid_omp.cpp b/src/USER-OMP/pair_yukawa_colloid_omp.cpp index e6ac3fa9fb..227ec0744f 100644 --- a/src/USER-OMP/pair_yukawa_colloid_omp.cpp +++ b/src/USER-OMP/pair_yukawa_colloid_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_yukawa_colloid_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_yukawa_omp.cpp b/src/USER-OMP/pair_yukawa_omp.cpp index f222876cb5..347575e283 100644 --- a/src/USER-OMP/pair_yukawa_omp.cpp +++ b/src/USER-OMP/pair_yukawa_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_yukawa_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/pair_zbl_omp.cpp b/src/USER-OMP/pair_zbl_omp.cpp index 284ebbf09c..9679a00b24 100644 --- a/src/USER-OMP/pair_zbl_omp.cpp +++ b/src/USER-OMP/pair_zbl_omp.cpp @@ -12,16 +12,17 @@ Contributing author: Axel Kohlmeyer (Temple U) ------------------------------------------------------------------------- */ -#include "omp_compat.h" -#include #include "pair_zbl_omp.h" + #include "atom.h" #include "comm.h" #include "force.h" -#include "neighbor.h" #include "neigh_list.h" - #include "suffix.h" + +#include + +#include "omp_compat.h" using namespace LAMMPS_NS; using namespace PairZBLConstants; diff --git a/src/USER-OMP/pppm_disp_omp.cpp b/src/USER-OMP/pppm_disp_omp.cpp index aad77cffc7..96a2cc282e 100644 --- a/src/USER-OMP/pppm_disp_omp.cpp +++ b/src/USER-OMP/pppm_disp_omp.cpp @@ -16,23 +16,24 @@ Rolf Isele-Holder (RWTH Aachen University) ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "pppm_disp_omp.h" -#include -#include -#include + #include "atom.h" #include "comm.h" #include "domain.h" #include "error.h" #include "force.h" #include "math_const.h" -#include "timer.h" +#include "suffix.h" + +#include +#include + +#include "omp_compat.h" #if defined(_OPENMP) #include #endif -#include "suffix.h" using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-OMP/thr_omp.cpp b/src/USER-OMP/thr_omp.cpp index c086f6d6b5..6e096defa8 100644 --- a/src/USER-OMP/thr_omp.cpp +++ b/src/USER-OMP/thr_omp.cpp @@ -24,7 +24,7 @@ #include "force.h" #include "modify.h" #include "neighbor.h" -#include "timer.h" + #include "thr_omp.h"