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USER-OMP

Install.sh
Package.sh
README
angle_charmm_omp.cpp
angle_charmm_omp.h
angle_class2_omp.cpp
angle_class2_omp.h
angle_cosine_delta_omp.cpp
angle_cosine_delta_omp.h
angle_cosine_omp.cpp
angle_cosine_omp.h
angle_cosine_periodic_omp.cpp
angle_cosine_periodic_omp.h
angle_cosine_shift_exp_omp.cpp
angle_cosine_shift_exp_omp.h
angle_cosine_shift_omp.cpp
angle_cosine_shift_omp.h
angle_cosine_squared_omp.cpp
angle_cosine_squared_omp.h
angle_harmonic_omp.cpp
angle_harmonic_omp.h
angle_sdk_omp.cpp
angle_sdk_omp.h
angle_table_omp.cpp
angle_table_omp.h
bond_class2_omp.cpp
bond_class2_omp.h
bond_fene_expand_omp.cpp
bond_fene_expand_omp.h
bond_fene_omp.cpp
bond_fene_omp.h
bond_harmonic_omp.cpp
bond_harmonic_omp.h
bond_harmonic_shift_cut_omp.cpp
bond_harmonic_shift_cut_omp.h
bond_harmonic_shift_omp.cpp
bond_harmonic_shift_omp.h
bond_morse_omp.cpp
bond_morse_omp.h
bond_nonlinear_omp.cpp
bond_nonlinear_omp.h
bond_quartic_omp.cpp
bond_quartic_omp.h
bond_table_omp.cpp
bond_table_omp.h
dihedral_charmm_omp.cpp
dihedral_charmm_omp.h
dihedral_class2_omp.cpp
dihedral_class2_omp.h
dihedral_cosine_shift_exp_omp.cpp
dihedral_cosine_shift_exp_omp.h
dihedral_harmonic_omp.cpp
dihedral_harmonic_omp.h
dihedral_helix_omp.cpp
dihedral_helix_omp.h
dihedral_multi_harmonic_omp.cpp
dihedral_multi_harmonic_omp.h
dihedral_opls_omp.cpp
dihedral_opls_omp.h
ewald_omp.cpp
ewald_omp.h
fix_gravity_omp.cpp
fix_gravity_omp.h
fix_nve_sphere_omp.cpp
fix_nve_sphere_omp.h
fix_omp.cpp
fix_omp.h
fix_peri_neigh_omp.cpp
fix_peri_neigh_omp.h
fix_qeq_comb_omp.cpp
fix_qeq_comb_omp.h
fix_shear_history_omp.cpp
fix_shear_history_omp.h
fix_wall_gran_omp.cpp
fix_wall_gran_omp.h
hack_openmp_for_pgi.sh
improper_class2_omp.cpp
improper_class2_omp.h
improper_cvff_omp.cpp
improper_cvff_omp.h
improper_harmonic_omp.cpp
improper_harmonic_omp.h
improper_umbrella_omp.cpp
improper_umbrella_omp.h
neigh_derive_omp.cpp
neigh_full_omp.cpp
neigh_gran_omp.cpp
neigh_half_bin_omp.cpp
neigh_half_multi_omp.cpp
neigh_half_nsq_omp.cpp
neigh_respa_omp.cpp
neighbor_omp.h
pair_adp_omp.cpp
pair_adp_omp.h
pair_airebo_omp.cpp
pair_airebo_omp.h
pair_born_coul_long_omp.cpp
pair_born_coul_long_omp.h
pair_born_coul_wolf_omp.cpp
pair_born_coul_wolf_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.

This directory also contains a shell script:

hack_openmp_for_pgi.sh

which will convert OpenMP directives in src files into a form compatible with the PGI compiler.

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