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lammps/src/USER-OMP
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Axel Kohlmeyer 729b3d2717 major whitespace cleanup
2020-08-19 18:46:35 -04:00
..
angle_charmm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_charmm_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_class2_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_class2_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_cosine_delta_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_cosine_delta_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_cosine_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_cosine_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_cosine_periodic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_cosine_periodic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_cosine_shift_exp_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_cosine_shift_exp_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_cosine_shift_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_cosine_shift_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_cosine_squared_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_cosine_squared_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_dipole_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_dipole_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_fourier_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_fourier_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
angle_fourier_simple_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_fourier_simple_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
angle_harmonic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_harmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
angle_quartic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_quartic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
angle_sdk_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_sdk_omp.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
angle_table_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
angle_table_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_class2_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_class2_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_fene_expand_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_fene_expand_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_fene_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_fene_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_gromos_omp.cpp
fix bug in bond style gromos/omp
2020-05-30 10:23:25 -04:00
bond_gromos_omp.h
add gromos bond style
2017-10-16 14:57:12 -04:00
bond_harmonic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_harmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_harmonic_shift_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_harmonic_shift_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_harmonic_shift_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_harmonic_shift_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_morse_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_morse_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_nonlinear_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_nonlinear_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_quartic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_quartic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
bond_table_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
bond_table_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_charmm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_charmm_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_class2_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_class2_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_cosine_shift_exp_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_cosine_shift_exp_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_fourier_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_fourier_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
dihedral_harmonic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_harmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_helix_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_helix_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_multi_harmonic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_multi_harmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_nharmonic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_nharmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
dihedral_opls_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_opls_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
dihedral_quadratic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_quadratic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:57:12 +00:00
dihedral_table_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
dihedral_table_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
domain_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
ewald_omp.cpp
major whitespace cleanup
2020-08-19 18:46:35 -04:00
ewald_omp.h
add triclinic support to ewald/omp
2020-08-07 11:11:52 -04:00
fix_gravity_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_gravity_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
fix_neigh_history_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_neigh_history_omp.h
updated neighbor list history processing for USER-OMP
2017-10-23 14:12:19 -04:00
fix_nh_asphere_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_nh_asphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nh_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_nh_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nh_sphere_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_nh_sphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nph_asphere_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_nph_asphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nph_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_nph_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nph_sphere_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_nph_sphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_npt_asphere_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_npt_asphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_npt_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_npt_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_npt_sphere_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_npt_sphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nve_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_nve_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nve_sphere_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_nve_sphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9407 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:30 +00:00
fix_nvt_asphere_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_nvt_asphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nvt_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_nvt_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nvt_sllod_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_nvt_sllod_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_nvt_sphere_omp.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_nvt_sphere_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9408 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:12:37 +00:00
fix_omp.cpp
fix bug in USER-OMP with "pair_modify compute no" and "kspace_modify compute no"
2020-05-15 08:06:23 -04:00
fix_omp.h
fix bug in USER-OMP with "pair_modify compute no" and "kspace_modify compute no"
2020-05-15 08:06:23 -04:00
fix_peri_neigh_omp.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +00:00
fix_peri_neigh_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
fix_qeq_comb_omp.cpp
starting to work on includes in USER-OMP
2019-07-11 22:12:01 -04:00
fix_qeq_comb_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
fix_qeq_reax_omp.cpp
reduce warnings related to OpenMP with clang
2019-10-18 16:52:16 +02:00
fix_qeq_reax_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
fix_rigid_nh_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_rigid_nh_omp.h
update rigid fix styles in USER-OMP for changes in RIGID package
2017-09-08 14:09:44 -04:00
fix_rigid_nph_omp.cpp
replace Fix::box_change_xxx variables with Fix::box_change bitmask and add check to Domain::init()
2020-02-08 15:12:26 -05:00
fix_rigid_nph_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_rigid_npt_omp.cpp
replace Fix::box_change_xxx variables with Fix::box_change bitmask and add check to Domain::init()
2020-02-08 15:12:26 -05:00
fix_rigid_npt_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_rigid_nve_omp.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_rigid_nve_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_rigid_nvt_omp.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_rigid_nvt_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
fix_rigid_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_rigid_omp.h
2nd set of updates
2018-05-03 17:00:08 -06:00
fix_rigid_small_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
fix_rigid_small_omp.h
update rigid fix styles in USER-OMP for changes in RIGID package
2017-09-08 14:09:44 -04:00
improper_class2_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_class2_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
improper_cossq_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_cossq_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
improper_cvff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_cvff_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
improper_fourier_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_fourier_omp.h
replace leading tabs
2018-03-16 12:34:33 -04:00
improper_harmonic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_harmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
improper_ring_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_ring_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
improper_umbrella_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
improper_umbrella_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
Install.sh
update dependencies for USER-CGSDK package. make script permissions consistent
2018-05-09 16:13:54 -04:00
msm_cg_omp.cpp
add GridComm API changes to msm/cg/omp
2020-08-13 12:03:32 -06:00
msm_cg_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
msm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
msm_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
npair_full_bin_atomonly_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_full_bin_atomonly_omp.h
add "atomonly" optimized neighbor list build styles to USER-OMP
2017-05-30 16:50:38 -04:00
npair_full_bin_ghost_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_full_bin_ghost_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_bin_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_full_bin_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_multi_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_full_multi_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_nsq_ghost_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_full_nsq_ghost_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_nsq_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_full_nsq_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_bin_atomonly_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_bin_atomonly_newton_omp.h
add "atomonly" optimized neighbor list build styles to USER-OMP
2017-05-30 16:50:38 -04:00
npair_half_bin_newtoff_ghost_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_bin_newtoff_ghost_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_bin_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_bin_newtoff_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_bin_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_bin_newton_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_bin_newton_tri_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_bin_newton_tri_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_multi_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_multi_newtoff_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_multi_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_multi_newton_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_multi_newton_tri_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_multi_newton_tri_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff_ghost_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_nsq_newtoff_ghost_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_nsq_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_nsq_newtoff_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_nsq_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_nsq_newton_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_respa_bin_newtoff_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_respa_bin_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_respa_bin_newton_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_respa_bin_newton_tri_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_respa_bin_newton_tri_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_respa_nsq_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_respa_nsq_newtoff_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_respa_nsq_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_respa_nsq_newton_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_size_bin_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_size_bin_newtoff_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_size_bin_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_size_bin_newton_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_size_bin_newton_tri_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_size_bin_newton_tri_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_size_nsq_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_size_nsq_newtoff_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_size_nsq_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_half_size_nsq_newton_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_halffull_newtoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_halffull_newtoff_omp.h
add missing neighbor list class definitions to USER-OMP
2017-05-26 21:28:41 -04:00
npair_halffull_newton_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
npair_halffull_newton_omp.h
add missing neighbor list class definitions to USER-OMP
2017-05-26 21:28:41 -04:00
npair_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_skip_omp.h
new SNAP potential for W
2017-02-21 15:49:21 -07:00
pair_adp_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_adp_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_agni_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_agni_omp.h
add USER-OMP version of pair style agni
2016-11-11 19:08:01 -05:00
pair_airebo_morse_omp.cpp
Merge branch 'github-rebo-bugfix' of https://github.com/CF17/lammps into test-rebo
2018-12-30 03:44:38 -05:00
pair_airebo_morse_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14772 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-22 13:28:10 +00:00
pair_airebo_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_airebo_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:33:07 +00:00
pair_beck_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_beck_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_born_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_born_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_born_coul_msm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_born_coul_msm_omp.h
whitespace fixes
2020-06-13 01:40:34 -04:00
pair_born_coul_wolf_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_born_coul_wolf_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_born_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_born_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_brownian_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_brownian_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:29:37 +00:00
pair_brownian_poly_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_brownian_poly_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:29:37 +00:00
pair_buck_coul_cut_omp.cpp
bugfix for pair style buck/coul/cut
2020-08-01 11:15:07 -04:00
pair_buck_coul_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_buck_coul_long_omp.cpp
add tabulation for long-range coulomb
2020-08-06 16:09:36 -04:00
pair_buck_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_buck_coul_msm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_buck_coul_msm_omp.h
whitespace fixes
2020-06-13 01:40:34 -04:00
pair_buck_long_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_buck_long_coul_long_omp.h
Fix typos in src files
2017-03-05 21:03:40 -05:00
pair_buck_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_buck_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_colloid_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_colloid_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_comb_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_comb_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_coul_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_coul_cut_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_cut_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_coul_debye_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_debye_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_coul_diel_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_diel_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_coul_dsf_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_dsf_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pair_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_coul_long_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_long_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_coul_msm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_msm_omp.h
whitespace fixes
2020-06-13 01:40:34 -04:00
pair_coul_wolf_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_coul_wolf_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_dpd_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_dpd_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-11 14:49:37 +00:00
pair_dpd_tstat_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_dpd_tstat_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-11 14:49:37 +00:00
pair_eam_alloy_omp.cpp
use consistently the name of the (unaccelerated) pair style in the potential file reader error messages
2020-07-02 23:23:25 -04:00
pair_eam_alloy_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_eam_fs_omp.cpp
use consistently the name of the (unaccelerated) pair style in the potential file reader error messages
2020-07-02 23:23:25 -04:00
pair_eam_fs_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_eam_omp.cpp
refactor EAM family of potentials to convert the potential data and leave compute functions alone
2020-06-25 15:48:46 -04:00
pair_eam_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_edip_omp.cpp
fix indexing bug in pair style edip/omp
2020-08-07 16:29:53 -04:00
pair_edip_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_eim_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_eim_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_gauss_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_gauss_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_gauss_omp.cpp
pair style gauss does not apply special_bonds
2020-08-03 08:42:36 -04:00
pair_gauss_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_gayberne_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_gayberne_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_gran_hertz_history_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_gran_hertz_history_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-09 20:57:00 +00:00
pair_gran_hooke_history_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_gran_hooke_history_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-09 20:57:00 +00:00
pair_gran_hooke_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_gran_hooke_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_hbond_dreiding_lj_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_hbond_dreiding_lj_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_hbond_dreiding_morse_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_hbond_dreiding_morse_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj96_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj96_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_charmm_coul_charmm_implicit_omp.cpp
fix factor 0.5 bug in lj/charmm/coul/charmm/implicit/omp
2020-05-31 07:19:36 -04:00
pair_lj_charmm_coul_charmm_implicit_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_charmm_coul_charmm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_charmm_coul_charmm_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_charmm_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_charmm_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_charmm_coul_long_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_charmm_coul_long_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12010 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-22 13:59:00 +00:00
pair_lj_charmm_coul_msm_omp.cpp
correct force calculation in lj/charmm/coul/msm/omp
2020-05-31 08:33:26 -04:00
pair_lj_charmm_coul_msm_omp.h
whitespace fixes
2020-06-13 01:40:34 -04:00
pair_lj_class2_coul_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_class2_coul_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_class2_coul_long_omp.cpp
add missing coulomb tabulation to pair style lj/class2/coul/long
2020-05-15 22:14:08 -04:00
pair_lj_class2_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_class2_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_class2_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_cubic_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cubic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_cut_coul_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_cut_coul_cut_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_cut_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_lj_cut_coul_debye_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_debye_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_cut_coul_dsf_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_dsf_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pair_lj_cut_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_cut_coul_long_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_long_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_lj_cut_coul_msm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_msm_omp.h
whitespace fixes
2020-06-13 01:40:34 -04:00
pair_lj_cut_coul_wolf_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_coul_wolf_omp.h
add USER-OMP versions of lj/cut/coul/wolf
2018-02-18 16:38:50 +01:00
pair_lj_cut_dipole_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_dipole_cut_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_cut_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_lj_cut_thole_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_thole_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-22 13:44:25 +00:00
pair_lj_cut_tip4p_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_tip4p_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9613 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-07 20:47:54 +00:00
pair_lj_cut_tip4p_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_tip4p_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9542 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-20 15:21:22 +00:00
pair_lj_cut_tip4p_long_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_cut_tip4p_long_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_lj_expand_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_expand_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_gromacs_coul_gromacs_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_gromacs_coul_gromacs_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_gromacs_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_gromacs_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lj_long_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_long_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 20:00:56 +00:00
pair_lj_long_tip4p_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_long_tip4p_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 20:00:56 +00:00
pair_lj_sdk_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_sdk_coul_long_omp.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
pair_lj_sdk_coul_msm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_sdk_coul_msm_omp.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
pair_lj_sdk_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_sdk_omp.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
pair_lj_sf_dipole_sf_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_sf_dipole_sf_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_smooth_linear_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_smooth_linear_omp.h
alias pair style lj/sf to lj/smooth/linear and remove/update related files
2017-06-06 17:26:06 -04:00
pair_lj_smooth_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lj_smooth_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lubricate_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lubricate_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_lubricate_poly_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_lubricate_poly_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_meam_spline_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_meam_spline_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_morse_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_morse_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_morse_smooth_linear_omp.cpp
fix incorrect sign bug
2020-08-11 09:56:19 -04:00
pair_morse_smooth_linear_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-22 13:44:25 +00:00
pair_nm_cut_coul_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_nm_cut_coul_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pair_nm_cut_coul_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_nm_cut_coul_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pair_nm_cut_omp.cpp
fix energy computation bug in pair style nm/cut/omp
2020-07-04 17:20:47 -04:00
pair_nm_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pair_peri_lps_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_peri_lps_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_peri_pmb_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_peri_pmb_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_reaxc_omp.cpp
make MIN_HBONDS define for reax/c configurable via an input option
2020-05-01 23:22:48 -04:00
pair_reaxc_omp.h
add centroid virial argument (cvatom) to ThrOMP::ev_setup_thr, and modify all related styles to pass a NULL pointer to pass compilation
2019-10-04 19:14:05 +09:00
pair_rebo_omp.cpp
remove dead code
2019-05-15 14:53:51 -04:00
pair_rebo_omp.h
Merge branch 'github-rebo-bugfix' of https://github.com/CF17/lammps into test-rebo
2018-12-30 03:44:38 -05:00
pair_resquared_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_resquared_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_sw_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_sw_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_table_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_table_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_tersoff_mod_c_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tersoff_mod_c_omp.h
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU)
2016-11-09 14:52:39 -05:00
pair_tersoff_mod_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tersoff_mod_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pair_tersoff_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tersoff_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_tersoff_table_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tersoff_table_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11725 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 19:45:15 +00:00
pair_tersoff_zbl_omp.cpp
zero out additionally allocated struct Param storage
2020-07-11 13:18:04 -04:00
pair_tersoff_zbl_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_tip4p_cut_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tip4p_cut_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-23 15:21:27 +00:00
pair_tip4p_long_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tip4p_long_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-23 15:21:27 +00:00
pair_tip4p_long_soft_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_tip4p_long_soft_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:33:03 +00:00
pair_ufm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_ufm_omp.h
Added the UFM files (doc/src - lib/gpu - src)
2017-10-24 11:11:10 -02:00
pair_vashishta_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_vashishta_omp.h
Added vashishta to USER-OMP from Axel
2015-10-21 03:57:35 +00:00
pair_vashishta_table_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_vashishta_table_omp.h
implement vashishta/table/omp in USER-OMP
2016-09-08 17:22:03 -04:00
pair_yukawa_colloid_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_yukawa_colloid_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_yukawa_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_yukawa_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:00:06 +00:00
pair_zbl_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pair_zbl_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:42:14 +00:00
pppm_cg_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pppm_cg_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_disp_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pppm_disp_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_disp_tip4p_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pppm_disp_tip4p_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
pppm_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_tip4p_omp.cpp
add unittest for pppm/tip4p with kspace_modify diff ad and fix related bug in pppm/tip4p/omp
2020-08-06 14:42:15 -04:00
pppm_tip4p_omp.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
README
get rid of tabs and trailing whitespace
2020-06-15 17:37:45 -04:00
reaxc_bond_orders_omp.cpp
more include handling cleanup in USER packages
2019-07-12 18:00:59 -04:00
reaxc_bond_orders_omp.h
replace leading tabs
2018-03-16 12:34:33 -04:00
reaxc_bonds_omp.cpp
add centroid virial argument (cvatom) to ThrOMP::ev_setup_thr, and modify all related styles to pass a NULL pointer to pass compilation
2019-10-04 19:14:05 +09:00
reaxc_bonds_omp.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
reaxc_forces_omp.cpp
make MIN_HBONDS define for reax/c configurable via an input option
2020-05-01 23:22:48 -04:00
reaxc_forces_omp.h
more include handling cleanup in USER packages
2019-07-12 18:00:59 -04:00
reaxc_hydrogen_bonds_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
reaxc_hydrogen_bonds_omp.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
reaxc_init_md_omp.cpp
consolidate USER-REAXC init error message handling. avoid snprintf and buffer
2020-07-28 20:40:57 -04:00
reaxc_init_md_omp.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
reaxc_multi_body_omp.cpp
starting to work on includes in USER-OMP
2019-07-11 22:12:01 -04:00
reaxc_multi_body_omp.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
reaxc_nonbonded_omp.cpp
recover compilation of USER-OMP
2019-07-11 08:13:03 -04:00
reaxc_nonbonded_omp.h
replace leading tabs
2018-03-16 12:34:33 -04:00
reaxc_torsion_angles_omp.cpp
more include handling cleanup in USER packages
2019-07-12 18:00:59 -04:00
reaxc_torsion_angles_omp.h
replace leading tabs
2018-03-16 12:34:33 -04:00
reaxc_valence_angles_omp.cpp
starting to work on includes in USER-OMP
2019-07-11 22:12:01 -04:00
reaxc_valence_angles_omp.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
respa_omp.cpp
migrate omp constructs to new macros
2020-03-20 12:47:03 -04:00
respa_omp.h
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -05:00
thr_data.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
thr_data.h
Fix typo
2020-03-14 13:57:48 +09:00
thr_omp.cpp
pairwise -> two-body for clarity in appropriate comments
2019-11-13 19:48:52 +09:00
thr_omp.h
add centroid virial argument (cvatom) to ThrOMP::ev_setup_thr, and modify all related styles to pass a NULL pointer to pass compilation
2019-10-04 19:14:05 +09:00

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.