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lammps/src/OPENMP
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Axel Kohlmeyer c3e7f8f25a remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
..
angle_charmm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_charmm_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_class2_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_class2_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_delta_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_cosine_delta_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_cosine_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_periodic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_cosine_periodic_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_shift_exp_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_cosine_shift_exp_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_shift_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_cosine_shift_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_squared_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_cosine_squared_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_dipole_omp.cpp
…
angle_dipole_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_fourier_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_fourier_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_fourier_simple_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_fourier_simple_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_harmonic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_harmonic_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_quartic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_quartic_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_spica_omp.cpp
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
angle_spica_omp.h
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
angle_table_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
angle_table_omp.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
bond_class2_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_class2_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_fene_expand_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_fene_expand_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_fene_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_fene_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_gromos_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_gromos_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_harmonic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_harmonic_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_harmonic_shift_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_harmonic_shift_cut_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_harmonic_shift_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_harmonic_shift_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_morse_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_morse_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_nonlinear_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_nonlinear_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_quartic_omp.cpp
initialize pointers, use provided constant, reorder include statements
2022-01-22 17:07:12 -05:00
bond_quartic_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_table_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
bond_table_omp.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
dihedral_charmm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_charmm_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_class2_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_class2_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_cosine_shift_exp_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_cosine_shift_exp_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_fourier_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_fourier_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_harmonic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_harmonic_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_helix_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_helix_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_multi_harmonic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_multi_harmonic_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_nharmonic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_nharmonic_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_opls_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_opls_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_quadratic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
dihedral_quadratic_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_table_omp.cpp
…
dihedral_table_omp.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
domain_omp.cpp
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
ewald_omp.cpp
…
ewald_omp.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
fix_gravity_omp.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
fix_gravity_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_neigh_history_omp.cpp
Resolving merge conflicts
2022-03-23 14:28:27 -06:00
fix_neigh_history_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nh_asphere_omp.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
fix_nh_asphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nh_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_nh_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nh_sphere_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_nh_sphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nph_asphere_omp.cpp
…
fix_nph_asphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nph_omp.cpp
…
fix_nph_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nph_sphere_omp.cpp
…
fix_nph_sphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_npt_asphere_omp.cpp
…
fix_npt_asphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_npt_omp.cpp
…
fix_npt_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_npt_sphere_omp.cpp
…
fix_npt_sphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nve_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_nve_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nve_sphere_omp.cpp
…
fix_nve_sphere_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt_asphere_omp.cpp
…
fix_nvt_asphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nvt_omp.cpp
…
fix_nvt_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nvt_sllod_omp.cpp
address possible initialization issues reported by coverity scan
2022-09-22 10:34:23 -04:00
fix_nvt_sllod_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_nvt_sphere_omp.cpp
…
fix_nvt_sphere_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_omp.cpp
avoid redundant use of boolean literals
2022-04-10 20:47:31 -04:00
fix_omp.h
more openmp neighbor list function to Neighbor class
2022-03-06 04:48:37 -05:00
fix_qeq_comb_omp.cpp
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
fix_qeq_comb_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_qeq_reaxff_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_qeq_reaxff_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_rigid_nh_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_rigid_nh_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
fix_rigid_nph_omp.cpp
…
fix_rigid_nph_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_rigid_npt_omp.cpp
…
fix_rigid_npt_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_rigid_nve_omp.cpp
…
fix_rigid_nve_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_rigid_nvt_omp.cpp
…
fix_rigid_nvt_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_rigid_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_rigid_omp.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_rigid_small_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
fix_rigid_small_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
improper_class2_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
improper_class2_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_cossq_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
improper_cossq_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_cvff_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
improper_cvff_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_fourier_omp.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
improper_fourier_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_harmonic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
improper_harmonic_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_ring_omp.cpp
…
improper_ring_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_umbrella_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
improper_umbrella_omp.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
Install.sh
Fix OPENMP install script properly remove -DLMP_OPENMP from Makefile.packages
2021-08-30 18:39:24 -04:00
msm_cg_omp.cpp
sync OPENMP package with new GridComm syntax
2021-08-27 09:48:35 -06:00
msm_cg_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
msm_omp.cpp
…
msm_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_bin_atomonly_omp.cpp
…
npair_full_bin_atomonly_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_bin_ghost_omp.cpp
…
npair_full_bin_ghost_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_bin_omp.cpp
…
npair_full_bin_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_multi_old_omp.cpp
…
npair_full_multi_old_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_multi_omp.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_full_multi_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_nsq_ghost_omp.cpp
…
npair_full_nsq_ghost_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_full_nsq_omp.cpp
…
npair_full_nsq_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_bin_atomonly_newton_omp.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
npair_half_bin_atomonly_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_bin_newtoff_ghost_omp.cpp
…
npair_half_bin_newtoff_ghost_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_bin_newtoff_omp.cpp
…
npair_half_bin_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_bin_newton_omp.cpp
…
npair_half_bin_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_bin_newton_tri_omp.cpp
…
npair_half_bin_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_multi_newtoff_omp.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_multi_newton_omp.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_multi_newton_tri_omp.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_multi_old_newtoff_omp.cpp
…
npair_half_multi_old_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_multi_old_newton_omp.cpp
…
npair_half_multi_old_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_multi_old_newton_tri_omp.cpp
…
npair_half_multi_old_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_nsq_newtoff_ghost_omp.cpp
…
npair_half_nsq_newtoff_ghost_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_nsq_newtoff_omp.cpp
…
npair_half_nsq_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_nsq_newton_omp.cpp
…
npair_half_nsq_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_respa_bin_newtoff_omp.cpp
…
npair_half_respa_bin_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_respa_bin_newton_omp.cpp
…
npair_half_respa_bin_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_respa_bin_newton_tri_omp.cpp
…
npair_half_respa_bin_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_respa_nsq_newtoff_omp.cpp
…
npair_half_respa_nsq_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_respa_nsq_newton_omp.cpp
…
npair_half_respa_nsq_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_bin_newtoff_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_bin_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_bin_newton_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_bin_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_bin_newton_tri_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_bin_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_multi_newtoff_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_multi_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_multi_newton_omp.cpp
Fix merge conflicts, minor style fixes
2021-11-01 18:13:06 -06:00
npair_half_size_multi_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_multi_newton_tri_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_multi_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_multi_old_newtoff_omp.cpp
Replacing some needed header files
2021-11-02 12:10:20 -06:00
npair_half_size_multi_old_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_multi_old_newton_omp.cpp
Replacing some needed header files
2021-11-02 12:10:20 -06:00
npair_half_size_multi_old_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_multi_old_newton_tri_omp.cpp
Replacing some needed header files
2021-11-02 12:10:20 -06:00
npair_half_size_multi_old_newton_tri_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_nsq_newtoff_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_nsq_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_half_size_nsq_newton_omp.cpp
Adding files for BPM
2021-08-27 09:22:56 -06:00
npair_half_size_nsq_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_halffull_newtoff_omp.cpp
…
npair_halffull_newtoff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_halffull_newtoff_trim_omp.cpp
Whitespace
2022-07-12 10:44:54 -06:00
npair_halffull_newtoff_trim_omp.h
Add trim methods from OPENMP
2022-07-12 09:14:52 -06:00
npair_halffull_newton_omp.cpp
…
npair_halffull_newton_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
npair_halffull_newton_trim_omp.cpp
Whitespace
2022-07-12 10:44:54 -06:00
npair_halffull_newton_trim_omp.h
Add trim methods from OPENMP
2022-07-12 09:14:52 -06:00
npair_omp.h
…
npair_skip_omp.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
npair_trim_omp.cpp
Add trim methods from OPENMP
2022-07-12 09:14:52 -06:00
npair_trim_omp.h
Add trim methods from OPENMP
2022-07-12 09:14:52 -06:00
pair_adp_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_adp_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_agni_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_agni_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_airebo_morse_omp.cpp
…
pair_airebo_morse_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_airebo_omp.cpp
make airebo compatible with pair_modify nofdotr
2021-07-11 08:47:30 -04:00
pair_airebo_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_beck_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_beck_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_born_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_born_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_born_coul_msm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_born_coul_msm_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_wolf_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_born_coul_wolf_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_born_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_born_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_brownian_omp.cpp
…
pair_brownian_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_brownian_poly_omp.cpp
…
pair_brownian_poly_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck_coul_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_buck_coul_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_buck_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck_coul_msm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_buck_coul_msm_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_long_coul_long_omp.cpp
use nullptr instead of NULL or 0 where applicable
2021-10-12 21:47:02 -04:00
pair_buck_long_coul_long_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_buck_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_colloid_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_colloid_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_comb_omp.cpp
reduce compiler warnings and need for private variables in OpenMP pragmas
2022-03-02 22:19:28 -05:00
pair_comb_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_cut_global_omp.cpp
…
pair_coul_cut_global_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_cut_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_cut_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_debye_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_debye_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_diel_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_diel_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_dsf_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_dsf_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_long_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_long_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_msm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_msm_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_wolf_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_coul_wolf_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_dpd_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_dpd_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_dpd_tstat_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_dpd_tstat_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_alloy_omp.cpp
simplify through using utils::strdup()
2022-07-27 19:49:31 -04:00
pair_eam_alloy_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_fs_omp.cpp
simplify through using utils::strdup()
2022-07-27 19:49:31 -04:00
pair_eam_fs_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_eam_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_edip_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_edip_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eim_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_eim_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gauss_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_gauss_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gauss_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_gauss_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gayberne_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_gayberne_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gran_hertz_history_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_gran_hertz_history_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gran_hooke_history_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_gran_hooke_history_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gran_hooke_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_gran_hooke_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_harmonic_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_harmonic_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_hbond_dreiding_lj_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_hbond_dreiding_lj_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_hbond_dreiding_morse_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_hbond_dreiding_morse_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj96_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj96_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_charmm_implicit_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_charmm_coul_charmm_implicit_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_charmm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_charmm_coul_charmm_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_charmm_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_long_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_charmm_coul_long_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_msm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_charmm_coul_msm_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_class2_coul_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_class2_coul_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_class2_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_class2_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_class2_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_class2_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cubic_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cubic_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_cut_dielectric_omp.cpp
remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
pair_lj_cut_coul_cut_dielectric_omp.h
remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
pair_lj_cut_coul_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_cut_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_cut_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_debye_dielectric_omp.cpp
remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
pair_lj_cut_coul_debye_dielectric_omp.h
remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
pair_lj_cut_coul_debye_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_debye_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_dsf_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_dsf_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_long_dielectric_omp.cpp
remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
pair_lj_cut_coul_long_dielectric_omp.h
remove unused NEWTON_PAIR template argument
2022-09-23 06:01:25 -04:00
pair_lj_cut_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_long_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_long_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_msm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_msm_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_wolf_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_coul_wolf_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_dipole_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_dipole_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_thole_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_thole_long_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_tip4p_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_tip4p_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_tip4p_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_tip4p_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_tip4p_long_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_cut_tip4p_long_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_expand_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_expand_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_gromacs_coul_gromacs_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_gromacs_coul_gromacs_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_gromacs_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_gromacs_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_long_coul_long_omp.cpp
use nullptr instead of NULL or 0 where applicable
2021-10-12 21:47:02 -04:00
pair_lj_long_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_long_tip4p_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_long_tip4p_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_relres_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_relres_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_sf_dipole_sf_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_sf_dipole_sf_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_smooth_linear_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_smooth_linear_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_smooth_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_lj_smooth_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_spica_coul_long_omp.cpp
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
pair_lj_spica_coul_long_omp.h
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
pair_lj_spica_coul_msm_omp.cpp
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
pair_lj_spica_coul_msm_omp.h
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
pair_lj_spica_omp.cpp
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
pair_lj_spica_omp.h
changed file names and added a lj12-5 function type in OPENMP pkg.
2022-07-08 18:18:39 +09:00
pair_lubricate_omp.cpp
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
pair_lubricate_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lubricate_poly_omp.cpp
fix bug with wrong mapping of pair style classes
2022-04-30 19:15:00 -04:00
pair_lubricate_poly_omp.h
fix bug with wrong mapping of pair style classes
2022-04-30 19:15:00 -04:00
pair_meam_spline_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_meam_spline_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_morse_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_morse_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_morse_smooth_linear_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_morse_smooth_linear_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_nm_cut_coul_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_nm_cut_coul_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_nm_cut_coul_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_nm_cut_coul_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_nm_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_nm_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_peri_lps_omp.cpp
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
pair_peri_lps_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_peri_pmb_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
pair_peri_pmb_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_reaxff_omp.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
pair_reaxff_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_rebo_omp.cpp
…
pair_rebo_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_resquared_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_resquared_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_sw_mod_omp.cpp
align with non-OpenMP version
2021-12-03 17:16:08 -05:00
pair_sw_mod_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_sw_omp.cpp
use a half neighbor list for skip_threebody case for further speedup
2022-07-02 17:39:01 -04:00
pair_sw_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_table_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_table_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tersoff_mod_c_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tersoff_mod_c_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tersoff_mod_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tersoff_mod_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tersoff_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tersoff_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tersoff_table_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tersoff_table_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tersoff_zbl_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
pair_tersoff_zbl_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tip4p_cut_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tip4p_cut_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tip4p_long_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tip4p_long_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tip4p_long_soft_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_tip4p_long_soft_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_ufm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_ufm_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_vashishta_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_vashishta_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_vashishta_table_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_vashishta_table_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_yukawa_colloid_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_yukawa_colloid_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_yukawa_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_yukawa_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_zbl_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pair_zbl_omp.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pppm_cg_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_cg_omp.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
pppm_disp_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_disp_omp.h
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
pppm_disp_tip4p_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_disp_tip4p_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_omp.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
pppm_tip4p_omp.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_tip4p_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
README
…
reaxff_bond_orders_omp.cpp
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
reaxff_bonds_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
reaxff_forces_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
reaxff_hydrogen_bonds_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
reaxff_init_md_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
reaxff_multi_body_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
reaxff_nonbonded_omp.cpp
Add ACKS2 charge equilibration method to REAXFF and support for electric fields in QEq
2021-09-08 15:06:23 -06:00
reaxff_omp.h
apply clang-format to packages
2021-08-23 21:06:33 -04:00
reaxff_torsion_angles_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
reaxff_valence_angles_omp.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
respa_omp.cpp
make force_clear() a public pure function in min.h and integrate.h
2022-05-04 12:30:17 -04:00
respa_omp.h
clang-format update
2022-04-23 13:08:11 -04:00
thr_data.cpp
use nullptr instead of NULL or 0 where applicable
2021-10-12 21:47:02 -04:00
thr_data.h
…
thr_omp.cpp
fix bug preventing correct energy & virial tallying
2022-09-08 23:25:02 -04:00
thr_omp.h
correct force and energy tally for using full neighbor lists and newton on/off
2022-08-19 16:33:55 -04:00

README 

This package provides OpenMP multi-threading support and other
optimizations of various LAMMPS pair styles, dihedral styles, and fix
styles.

See this section of the manual to get started:

doc/Section_accelerate.html, sub-section 5.2

The person who created this package is Axel Kohlmeyer at Temple U
(akohlmey at gmail.com).  Contact him directly if you have questions.