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lammps/src/OPENMP
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Axel Kohlmeyer 2e52afbd86 consistently skip over computing interactions with atoms set to NULL in hybrid styles
2023-01-27 22:12:33 -05:00
..
angle_charmm_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_charmm_omp.h
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2022-10-24 11:08:26 -04:00
angle_class2_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_class2_omp.h
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2022-10-24 11:08:26 -04:00
angle_cosine_delta_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_cosine_delta_omp.h
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2022-10-24 11:08:26 -04:00
angle_cosine_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_cosine_omp.h
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2022-10-24 11:08:26 -04:00
angle_cosine_periodic_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_cosine_periodic_omp.h
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2022-10-24 11:08:26 -04:00
angle_cosine_shift_exp_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_cosine_shift_exp_omp.h
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2022-10-24 11:08:26 -04:00
angle_cosine_shift_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_cosine_shift_omp.h
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2022-10-24 11:08:26 -04:00
angle_cosine_squared_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_cosine_squared_omp.h
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2022-10-24 11:08:26 -04:00
angle_dipole_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_dipole_omp.h
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2022-10-24 11:08:26 -04:00
angle_fourier_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_fourier_omp.h
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2022-10-24 11:08:26 -04:00
angle_fourier_simple_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_fourier_simple_omp.h
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2022-10-24 11:08:26 -04:00
angle_harmonic_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_harmonic_omp.h
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2022-10-24 11:08:26 -04:00
angle_lepton_omp.cpp
update OPENMP package versions
2022-12-27 11:23:18 -05:00
angle_lepton_omp.h
move lepton utilities to lepton_utils namespace in LEPTON package
2022-12-24 00:08:03 -05:00
angle_quartic_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_quartic_omp.h
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2022-10-24 11:08:26 -04:00
angle_spica_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_spica_omp.h
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2022-10-24 11:08:26 -04:00
angle_table_omp.cpp
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2022-10-24 11:08:26 -04:00
angle_table_omp.h
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2022-10-24 11:08:26 -04:00
bond_class2_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_class2_omp.h
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2022-10-24 11:08:26 -04:00
bond_fene_expand_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_fene_expand_omp.h
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2022-10-24 11:08:26 -04:00
bond_fene_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_fene_omp.h
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2022-10-24 11:08:26 -04:00
bond_gromos_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_gromos_omp.h
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2022-10-24 11:08:26 -04:00
bond_harmonic_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_harmonic_omp.h
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2022-10-24 11:08:26 -04:00
bond_harmonic_shift_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_harmonic_shift_cut_omp.h
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2022-10-24 11:08:26 -04:00
bond_harmonic_shift_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_harmonic_shift_omp.h
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2022-10-24 11:08:26 -04:00
bond_lepton_omp.cpp
update OPENMP package versions
2022-12-27 11:23:18 -05:00
bond_lepton_omp.h
move lepton utilities to lepton_utils namespace in LEPTON package
2022-12-24 00:08:03 -05:00
bond_morse_omp.cpp
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bond_morse_omp.h
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2022-10-24 11:08:26 -04:00
bond_nonlinear_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_nonlinear_omp.h
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2022-10-24 11:08:26 -04:00
bond_quartic_omp.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
bond_quartic_omp.h
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2022-10-24 11:08:26 -04:00
bond_table_omp.cpp
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2022-10-24 11:08:26 -04:00
bond_table_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_charmm_omp.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
dihedral_charmm_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_class2_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_class2_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_cosine_shift_exp_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_cosine_shift_exp_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_fourier_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_fourier_omp.h
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dihedral_harmonic_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_harmonic_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_helix_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_helix_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_lepton_omp.cpp
update OPENMP package versions
2022-12-27 11:23:18 -05:00
dihedral_lepton_omp.h
add dihedral style lepton including /omp variant
2022-12-26 16:44:49 -05:00
dihedral_multi_harmonic_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_multi_harmonic_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_nharmonic_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_nharmonic_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_opls_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_opls_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_quadratic_omp.cpp
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2022-10-24 11:08:26 -04:00
dihedral_quadratic_omp.h
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2022-10-24 11:08:26 -04:00
dihedral_table_omp.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
dihedral_table_omp.h
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2022-10-24 11:08:26 -04:00
domain_omp.cpp
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2022-10-24 11:08:26 -04:00
ewald_omp.cpp
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2022-10-24 11:08:26 -04:00
ewald_omp.h
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2022-10-24 11:08:26 -04:00
fix_gravity_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_gravity_omp.h
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2022-10-24 11:08:26 -04:00
fix_neigh_history_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_neigh_history_omp.h
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2022-10-24 11:08:26 -04:00
fix_nh_asphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nh_asphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_nh_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nh_omp.h
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2022-10-24 11:08:26 -04:00
fix_nh_sphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nh_sphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_nph_asphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nph_asphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_nph_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nph_omp.h
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2022-10-24 11:08:26 -04:00
fix_nph_sphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nph_sphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_npt_asphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_npt_asphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_npt_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_npt_omp.h
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2022-10-24 11:08:26 -04:00
fix_npt_sphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_npt_sphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_nve_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nve_omp.h
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2022-10-24 11:08:26 -04:00
fix_nve_sphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nve_sphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_nvt_asphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nvt_asphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_nvt_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nvt_omp.h
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2022-10-24 11:08:26 -04:00
fix_nvt_sllod_omp.cpp
modernize fix deform checks with fix nvt/sllod
2023-01-01 12:54:57 -05:00
fix_nvt_sllod_omp.h
address compilation failures
2022-12-31 22:10:32 -05:00
fix_nvt_sphere_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_nvt_sphere_omp.h
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2022-10-24 11:08:26 -04:00
fix_omp.cpp
a few more IWYU updates
2022-12-12 09:45:29 -05:00
fix_omp.h
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2022-10-24 11:08:26 -04:00
fix_qeq_comb_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_qeq_comb_omp.h
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2022-10-24 11:08:26 -04:00
fix_qeq_reaxff_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_qeq_reaxff_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_nh_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_nh_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_nph_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_nph_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_npt_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_npt_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_nve_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_nve_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_nvt_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_nvt_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_omp.h
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2022-10-24 11:08:26 -04:00
fix_rigid_small_omp.cpp
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2022-10-24 11:08:26 -04:00
fix_rigid_small_omp.h
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2022-10-24 11:08:26 -04:00
improper_class2_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_class2_omp.h
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2022-10-24 11:08:26 -04:00
improper_cossq_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_cossq_omp.h
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2022-10-24 11:08:26 -04:00
improper_cvff_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_cvff_omp.h
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2022-10-24 11:08:26 -04:00
improper_fourier_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_fourier_omp.h
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2022-10-24 11:08:26 -04:00
improper_harmonic_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_harmonic_omp.h
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2022-10-24 11:08:26 -04:00
improper_ring_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_ring_omp.h
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2022-10-24 11:08:26 -04:00
improper_umbrella_omp.cpp
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2022-10-24 11:08:26 -04:00
improper_umbrella_omp.h
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2022-10-24 11:08:26 -04:00
Install.sh
remove some legacy code and update for more recent code changes
2023-01-05 22:53:42 -05:00
msm_cg_omp.cpp
Merge branch 'develop' into collected-small-changes to resolve merge conflicts
2022-12-19 12:42:09 -05:00
msm_cg_omp.h
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2022-10-24 11:08:26 -04:00
msm_omp.cpp
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2022-10-24 11:08:26 -04:00
msm_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_bin_atomonly_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_bin_atomonly_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_bin_ghost_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_bin_ghost_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_bin_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_bin_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_multi_old_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_multi_old_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_multi_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_multi_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_nsq_ghost_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_nsq_ghost_omp.h
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2022-10-24 11:08:26 -04:00
npair_full_nsq_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_full_nsq_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_bin_atomonly_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_bin_atomonly_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_bin_newtoff_ghost_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_bin_newtoff_ghost_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_bin_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_bin_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_bin_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_bin_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_bin_newton_tri_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_bin_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_multi_newtoff_omp.cpp
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npair_half_multi_newtoff_omp.h
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npair_half_multi_newton_omp.cpp
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npair_half_multi_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_multi_newton_tri_omp.cpp
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npair_half_multi_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_multi_old_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_multi_old_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_multi_old_newton_omp.cpp
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npair_half_multi_old_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_multi_old_newton_tri_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_multi_old_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_nsq_newtoff_ghost_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_nsq_newtoff_ghost_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_nsq_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_nsq_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_nsq_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_nsq_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_respa_bin_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_respa_bin_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_respa_bin_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_respa_bin_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_respa_bin_newton_tri_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_respa_bin_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_respa_nsq_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_respa_nsq_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_respa_nsq_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_respa_nsq_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_bin_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_bin_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_bin_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_bin_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_bin_newton_tri_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_bin_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_newton_omp.cpp
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npair_half_size_multi_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_newton_tri_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_old_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_old_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_old_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_old_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_old_newton_tri_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_multi_old_newton_tri_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_nsq_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_nsq_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_half_size_nsq_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_half_size_nsq_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_halffull_newtoff_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_halffull_newtoff_omp.h
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2022-10-24 11:08:26 -04:00
npair_halffull_newtoff_trim_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_halffull_newtoff_trim_omp.h
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2022-10-24 11:08:26 -04:00
npair_halffull_newton_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_halffull_newton_omp.h
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2022-10-24 11:08:26 -04:00
npair_halffull_newton_trim_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_halffull_newton_trim_omp.h
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2022-10-24 11:08:26 -04:00
npair_omp.h
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2022-10-24 11:08:26 -04:00
npair_skip_omp.h
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2022-10-24 11:08:26 -04:00
npair_trim_omp.cpp
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2022-10-24 11:08:26 -04:00
npair_trim_omp.h
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2022-10-24 11:08:26 -04:00
pair_adp_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_adp_omp.h
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2022-10-24 11:08:26 -04:00
pair_agni_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_agni_omp.h
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2022-10-24 11:08:26 -04:00
pair_airebo_morse_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_airebo_morse_omp.h
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2022-10-24 11:08:26 -04:00
pair_airebo_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_airebo_omp.h
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2022-10-24 11:08:26 -04:00
pair_beck_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_beck_omp.h
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2022-10-24 11:08:26 -04:00
pair_born_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_born_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_born_coul_msm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_born_coul_msm_omp.h
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2022-10-24 11:08:26 -04:00
pair_born_coul_wolf_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_born_coul_wolf_omp.h
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2022-10-24 11:08:26 -04:00
pair_born_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_born_omp.h
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2022-10-24 11:08:26 -04:00
pair_brownian_omp.cpp
remove dead code detected by clang 15
2022-12-12 07:07:06 -05:00
pair_brownian_omp.h
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2022-10-24 11:08:26 -04:00
pair_brownian_poly_omp.cpp
remove dead code detected by clang 15
2022-12-12 07:07:06 -05:00
pair_brownian_poly_omp.h
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2022-10-24 11:08:26 -04:00
pair_buck_coul_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_buck_coul_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_buck_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_buck_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_buck_coul_msm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_buck_coul_msm_omp.h
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2022-10-24 11:08:26 -04:00
pair_buck_long_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_buck_long_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_buck_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_buck_omp.h
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2022-10-24 11:08:26 -04:00
pair_colloid_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_colloid_omp.h
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2022-10-24 11:08:26 -04:00
pair_comb_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_comb_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_cut_global_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_cut_global_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_cut_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_cut_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_debye_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_debye_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_diel_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_diel_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_dsf_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_dsf_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_long_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_long_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_msm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_msm_omp.h
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2022-10-24 11:08:26 -04:00
pair_coul_wolf_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_coul_wolf_omp.h
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2022-10-24 11:08:26 -04:00
pair_dpd_ext_omp.cpp
update dpd/ext styles in DPD-BASIC and OPENMP to correctly handle scaling for random force
2022-12-25 19:23:22 -05:00
pair_dpd_ext_omp.h
port dpd/ext pair styles to OPENMP package
2022-12-18 16:41:09 -05:00
pair_dpd_ext_tstat_omp.cpp
update dpd/ext styles in DPD-BASIC and OPENMP to correctly handle scaling for random force
2022-12-25 19:23:22 -05:00
pair_dpd_ext_tstat_omp.h
port dpd/ext pair styles to OPENMP package
2022-12-18 16:41:09 -05:00
pair_dpd_omp.cpp
partial implementation for a fix to correctly apply exclusions with dpd pair styles
2022-12-18 11:38:07 -05:00
pair_dpd_omp.h
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2022-10-24 11:08:26 -04:00
pair_dpd_tstat_omp.cpp
partial implementation for a fix to correctly apply exclusions with dpd pair styles
2022-12-18 11:38:07 -05:00
pair_dpd_tstat_omp.h
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2022-10-24 11:08:26 -04:00
pair_eam_alloy_omp.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
pair_eam_alloy_omp.h
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2022-10-24 11:08:26 -04:00
pair_eam_fs_omp.cpp
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
pair_eam_fs_omp.h
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2022-10-24 11:08:26 -04:00
pair_eam_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_eam_omp.h
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2022-10-24 11:08:26 -04:00
pair_edip_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_edip_omp.h
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2022-10-24 11:08:26 -04:00
pair_eim_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_eim_omp.h
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2022-10-24 11:08:26 -04:00
pair_gauss_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_gauss_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_gauss_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_gauss_omp.h
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2022-10-24 11:08:26 -04:00
pair_gayberne_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_gayberne_omp.h
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2022-10-24 11:08:26 -04:00
pair_gran_hertz_history_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_gran_hertz_history_omp.h
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2022-10-24 11:08:26 -04:00
pair_gran_hooke_history_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_gran_hooke_history_omp.h
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2022-10-24 11:08:26 -04:00
pair_gran_hooke_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_gran_hooke_omp.h
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2022-10-24 11:08:26 -04:00
pair_harmonic_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_harmonic_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_hbond_dreiding_lj_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_hbond_dreiding_lj_omp.h
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2022-10-24 11:08:26 -04:00
pair_hbond_dreiding_morse_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_hbond_dreiding_morse_omp.h
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2022-10-24 11:08:26 -04:00
pair_lepton_coul_omp.cpp
add support for a custom zbl() function to lepton pair styles
2023-01-08 01:26:41 -05:00
pair_lepton_coul_omp.h
implement pair style lepton/coul and lepton/coul/omp
2023-01-06 07:27:28 -05:00
pair_lepton_omp.cpp
add support for a custom zbl() function to lepton pair styles
2023-01-08 01:26:41 -05:00
pair_lepton_omp.h
move lepton utilities to lepton_utils namespace in LEPTON package
2022-12-24 00:08:03 -05:00
pair_lj96_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj96_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_implicit_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_implicit_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_charmm_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_msm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_msm_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_class2_coul_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_class2_coul_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_class2_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_class2_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_class2_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_class2_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cubic_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cubic_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_dielectric_omp.cpp
Merge branch 'upstream' into dielectric-updates
2022-12-25 15:13:46 -06:00
pair_lj_cut_coul_cut_dielectric_omp.h
Merge remote-tracking branch 'github/develop' into collected-small-changes
2022-10-24 15:50:50 -04:00
pair_lj_cut_coul_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_cut_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_debye_dielectric_omp.cpp
Merge branch 'upstream' into dielectric-updates
2022-12-25 15:13:46 -06:00
pair_lj_cut_coul_debye_dielectric_omp.h
Merge remote-tracking branch 'github/develop' into collected-small-changes
2022-10-24 15:50:50 -04:00
pair_lj_cut_coul_debye_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_debye_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_dsf_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_dsf_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_dielectric_omp.cpp
Merge branch 'upstream' into dielectric-updates
2022-12-25 15:13:46 -06:00
pair_lj_cut_coul_long_dielectric_omp.h
Merge remote-tracking branch 'github/develop' into collected-small-changes
2022-10-24 15:50:50 -04:00
pair_lj_cut_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_msm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_msm_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_wolf_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_wolf_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_dipole_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_thole_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_thole_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long_soft_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long_soft_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_expand_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_expand_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_gromacs_coul_gromacs_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_gromacs_coul_gromacs_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_gromacs_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_gromacs_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_long_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_long_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_long_tip4p_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_long_tip4p_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_relres_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_relres_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_sf_dipole_sf_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_sf_dipole_sf_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_smooth_linear_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_smooth_linear_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_smooth_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_smooth_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_msm_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_spica_coul_msm_omp.h
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2022-10-24 11:08:26 -04:00
pair_lj_spica_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_lj_spica_omp.h
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2022-10-24 11:08:26 -04:00
pair_lubricate_omp.cpp
remove dead code detected by clang 15
2022-12-12 07:07:06 -05:00
pair_lubricate_omp.h
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2022-10-24 11:08:26 -04:00
pair_lubricate_poly_omp.cpp
remove dead code detected by clang 15
2022-12-12 07:07:06 -05:00
pair_lubricate_poly_omp.h
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2022-10-24 11:08:26 -04:00
pair_meam_spline_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_meam_spline_omp.h
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2022-10-24 11:08:26 -04:00
pair_morse_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_morse_omp.h
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2022-10-24 11:08:26 -04:00
pair_morse_smooth_linear_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_morse_smooth_linear_omp.h
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2022-10-24 11:08:26 -04:00
pair_nm_cut_coul_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_nm_cut_coul_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_nm_cut_coul_long_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_nm_cut_coul_long_omp.h
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2022-10-24 11:08:26 -04:00
pair_nm_cut_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_nm_cut_omp.h
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2022-10-24 11:08:26 -04:00
pair_peri_lps_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_peri_lps_omp.h
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2022-10-24 11:08:26 -04:00
pair_peri_pmb_omp.cpp
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2022-10-24 11:08:26 -04:00
pair_peri_pmb_omp.h
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pair_reaxff_omp.cpp
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pair_reaxff_omp.h
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pair_rebo_omp.cpp
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pair_rebo_omp.h
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pair_resquared_omp.cpp
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pair_resquared_omp.h
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pair_soft_omp.cpp
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pair_soft_omp.h
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pair_sw_mod_omp.cpp
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pair_sw_mod_omp.h
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pair_sw_omp.cpp
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pair_sw_omp.h
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pair_table_omp.cpp
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pair_table_omp.h
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pair_tersoff_mod_c_omp.cpp
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pair_tersoff_mod_c_omp.h
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pair_tersoff_mod_omp.cpp
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pair_tersoff_mod_omp.h
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pair_tersoff_omp.cpp
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pair_tersoff_omp.h
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pair_tersoff_table_omp.cpp
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pair_tersoff_table_omp.h
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pair_tersoff_zbl_omp.cpp
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pair_tersoff_zbl_omp.h
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pair_tip4p_cut_omp.cpp
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pair_tip4p_cut_omp.h
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pair_tip4p_long_omp.cpp
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pair_tip4p_long_omp.h
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pair_tip4p_long_soft_omp.cpp
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pair_tip4p_long_soft_omp.h
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pair_ufm_omp.cpp
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pair_ufm_omp.h
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pair_vashishta_omp.cpp
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pair_vashishta_omp.h
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pair_vashishta_table_omp.cpp
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pair_vashishta_table_omp.h
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pair_yukawa_colloid_omp.cpp
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pair_yukawa_colloid_omp.h
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pair_yukawa_omp.cpp
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pair_yukawa_omp.h
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pair_zbl_omp.cpp
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pair_zbl_omp.h
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pppm_cg_omp.cpp
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pppm_cg_omp.h
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pppm_disp_omp.cpp
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pppm_disp_omp.h
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pppm_disp_tip4p_omp.cpp
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pppm_disp_tip4p_omp.h
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pppm_omp.cpp
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pppm_omp.h
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pppm_tip4p_omp.cpp
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pppm_tip4p_omp.h
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README
rename USER-OMP to OPENMP
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reaxff_bond_orders_omp.cpp
use dynamic cast instead of c-style cast when casting from base type to derived class
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reaxff_bonds_omp.cpp
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reaxff_forces_omp.cpp
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reaxff_hydrogen_bonds_omp.cpp
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reaxff_init_md_omp.cpp
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reaxff_multi_body_omp.cpp
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reaxff_nonbonded_omp.cpp
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reaxff_omp.h
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reaxff_torsion_angles_omp.cpp
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reaxff_valence_angles_omp.cpp
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respa_omp.cpp
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respa_omp.h
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thr_data.cpp
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thr_data.h
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thr_omp.cpp
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thr_omp.h
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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.