ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
patch_17Jan2018
lammps/src/USER-OMP
History
Steve Plimpton bf48f3e240 Merge pull request #758 from mkanski/ci-ReaxFF 
Modification of ReaxFF
2018-01-16 13:04:20 -07:00
..
angle_charmm_omp.cpp
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
remove trailing whitespace
2017-05-24 16:29:26 -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
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
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
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
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
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
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
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
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
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
angle_sdk_omp.h
remove cg/cmm style name aliases
2017-04-26 17:24:25 -04:00
angle_table_omp.cpp
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
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
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
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
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
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
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
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
add gromos bond style
2017-10-16 14:57:12 -04:00
bond_gromos_omp.h
add gromos bond style
2017-10-16 14:57:12 -04:00
bond_harmonic_omp.cpp
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-05 14:42:44 +00:00
ewald_omp.cpp
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
ewald_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_gravity_omp.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +00:00
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
correct fix neigh/history/omp to properly support -DLAMMPS_BIGBIG compilation
2017-12-13 15:12:14 -05:00
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
port thread-safe temperature biasing from LAMMPS-ICMS
2017-05-16 18:15:13 -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
port thread-safe temperature biasing from LAMMPS-ICMS
2017-05-16 18:15:13 -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
port thread-safe temperature biasing from LAMMPS-ICMS
2017-05-16 18:15:13 -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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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_nphug_omp.cpp
fix off-by-one memory allocation bug
2017-07-13 10:55:13 -04:00
fix_nphug_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9512 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-15 17:36:53 +00:00
fix_npt_asphere_omp.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-05 14:42:44 +00:00
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
remove trailing whitespace
2017-05-24 16:29:56 -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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
port thread-safe temperature biasing from LAMMPS-ICMS
2017-05-16 18:15:13 -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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
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
tweaked author syntax
2016-11-22 08:15:13 -07:00
fix_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
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
remove useless and incorrect neighbor list request in fix qeq/comb/omp
2017-07-12 18:32:04 -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
Remove hardcoded value in fix_qeq_reax
2017-10-05 11:23:31 -06:00
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
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_nh_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_nph_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_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
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.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
change incorrect EINERTIA constant in rigid body integrators from 4.0 to 2.0 (same as in other integrators)
2017-06-12 14:07:40 -04:00
fix_rigid_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-14 19:53:28 +00:00
fix_rigid_small_omp.cpp
change incorrect EINERTIA constant in rigid body integrators from 4.0 to 2.0 (same as in other integrators)
2017-06-12 14:07:40 -04:00
fix_rigid_small_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9512 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-15 17:36:53 +00:00
fix_wall_gran_omp.cpp
completed synchronization with non-threaded version
2016-10-10 09:16:21 -04:00
fix_wall_gran_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
hack_openmp_for_pgi.sh
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_class2_omp.cpp
bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov, ICP RAS
2016-10-10 23:56:36 -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
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
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
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
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
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
improper_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
improper_harmonic_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
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
correct 'thrid' instead of 'third'
2017-04-17 17:49:49 -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
bugfix for virial tally for improper style umbrella from Steven Vandenbrande (U Gent)
2016-10-06 17:20:22 -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
enforce C or POSIX locale in all shell scripts and turn of enforced global grep options
2016-08-27 01:57:45 -04:00
msm_cg_omp.cpp
Initializing pointers in USER-OMP
2016-11-07 21:07:10 +01:00
msm_cg_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-19 19:00:18 +00:00
msm_omp.cpp
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
msm_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
npair_full_bin_atomonly_omp.cpp
add "atomonly" optimized neighbor list build styles to USER-OMP
2017-05-30 16:50:38 -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
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
npair_full_bin_ghost_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_bin_omp.cpp
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
npair_full_bin_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_multi_omp.cpp
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
npair_full_multi_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_nsq_ghost_omp.cpp
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_full_nsq_ghost_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_full_nsq_omp.cpp
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_full_nsq_omp.h
remove trailing whitespace
2017-05-24 16:29:56 -04:00
npair_half_bin_atomonly_newton_omp.cpp
add "atomonly" optimized neighbor list build styles to USER-OMP
2017-05-30 16:50:38 -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
remove trailing whitespace
2017-05-24 16:29:56 -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
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
npair_half_bin_newtoff_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_bin_newton_omp.cpp
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
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
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
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
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
npair_half_multi_newtoff_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_multi_newton_omp.cpp
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
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
remove trailing whitespace
2017-05-24 16:29:56 -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
remove trailing whitespace
2017-05-24 16:29:56 -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
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff_omp.h
new neighbor list changes
2016-09-07 13:42:58 -06:00
npair_half_nsq_newton_omp.cpp
new neighbor list changes
2016-09-07 13:42:58 -06:00
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
update multi-threaded neighbor list build for neighbor list refactor
2017-10-18 11:25:15 -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
update multi-threaded neighbor list build for neighbor list refactor
2017-10-18 11:25:15 -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
update multi-threaded neighbor list build for neighbor list refactor
2017-10-18 11:25:15 -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
update multi-threaded neighbor list build for neighbor list refactor
2017-10-18 11:25:15 -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
update multi-threaded neighbor list build for neighbor list refactor
2017-10-18 11:25:15 -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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
new neighbor list changes
2016-09-07 13:42:58 -06:00
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
new neighbor list changes
2016-09-07 13:42:58 -06:00
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
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
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
remove ambiguous access conflict to fm_exp() in pair style agni/omp after moving fm_exp() to math_special.h
2017-06-11 18:45:40 -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
apply airebo/m bugfix also to USER-OMP version
2017-03-23 14:14:49 -04:00
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
Fix sigcut class variable actually used
2017-07-05 22:52:29 +02:00
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
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
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
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
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
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_born_coul_msm_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_born_coul_wolf_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
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
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
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
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
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
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
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
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
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
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
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
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_buck_coul_msm_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_buck_long_coul_long_omp.cpp
update several pair styles to be compliant with refactored respa lists data structures
2017-10-18 11:24:12 -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
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
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_cdeam_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
pair_cdeam_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
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
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
protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to ignore unsupported directives
2017-06-19 15:31:20 -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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_coul_msm_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_coul_wolf_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
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
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
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
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
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
add error location propagation to atom->set_mass() and atom->check_mass()
2016-10-26 16:01:40 -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
add error location propagation to atom->set_mass() and atom->check_mass()
2016-10-26 16:01:40 -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
port support for scale[] factor with fix adapt to OPT and USER-OMP
2016-09-20 16:46:54 -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
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
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
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
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
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
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
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
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
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
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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
update USER-OMP code for shear history neighbor refactoring
2017-10-16 14:37:20 -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
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
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
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
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
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
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
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
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
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
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-14 18:45:15 +00:00
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
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
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
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
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
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_charmm_coul_msm_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_class2_coul_cut_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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_cut_coul_msm_omp.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_lj_cut_dipole_cut_omp.cpp
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -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
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
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
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
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
Add missing header files
2017-12-01 11:33:42 -07:00
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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
make pair styles lj/cut/tip4p/long/omp, lj/long/tip4p/long and lj/long/tip4p/long/omp consistent with the reset of tip4p styles
2017-06-07 17:09:45 -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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
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
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
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
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
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
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
update several pair styles to be compliant with refactored respa lists data structures
2017-10-18 11:24:12 -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
update several pair styles to be compliant with refactored respa lists data structures
2017-10-18 11:24:12 -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
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
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
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
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
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
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
corrections for pair style lj/sf/dipole/sf and its /omp variant
2016-09-15 09:30:40 -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
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
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
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
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
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
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
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-10 14:59:04 +00:00
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
whitespace cleanup
2017-05-09 15:49:37 -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
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
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
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_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_nb3b_harmonic_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
pair_nb3b_harmonic_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12635 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-14 14:28:47 +00:00
pair_nm_cut_coul_cut_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
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
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
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
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
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
avoid division by zero in peri pair styles
2017-07-18 07:26:45 -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
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
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
add short bond cutoff warning also to USER-OMP
2018-01-16 13:50:49 -05:00
pair_reaxc_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
pair_rebo_omp.cpp
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_rebo_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_resquared_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
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
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
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
build short neighbor list for sw on based on ij parameters only
2016-11-02 17:09:32 -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
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
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
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU)
2016-11-09 14:52:39 -05:00
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
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
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
fix off-by-one bug in buffer re-allocator
2016-10-26 10:14:08 -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
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
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
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
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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
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_vashishta_omp.cpp
fix off-by-one bug in buffer re-allocator
2016-10-26 10:14:08 -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
fix off-by-one bug in buffer re-allocator
2016-10-26 10:14:08 -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
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
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
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
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
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
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
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_cg_omp.h
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_disp_omp.cpp
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_disp_omp.h
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_disp_tip4p_omp.cpp
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_disp_tip4p_omp.h
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_omp.cpp
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_omp.h
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_tip4p_omp.cpp
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
pppm_tip4p_omp.h
plug small memory leak in USER-OMP variants of pppm kspace styles
2017-07-17 23:56:38 -04:00
README
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
reaxc_bond_orders_omp.cpp
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_bond_orders_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_bonds_omp.cpp
fix reaxc division by zero bug also for USER-OMP variant
2017-07-20 18:19:53 -04:00
reaxc_bonds_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_forces_omp.cpp
Remove non-existent function in reaxc_forces_omp
2017-11-30 09:13:03 -07:00
reaxc_forces_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_hydrogen_bonds_omp.cpp
updates to USER-REAXC code in USER-OMP from Chris Knight. addresses issues with multiple threads in use
2017-07-20 12:11:46 -04:00
reaxc_hydrogen_bonds_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_init_md_omp.cpp
whitespace cleanup
2017-07-13 17:34:30 -04:00
reaxc_init_md_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_multi_body_omp.cpp
updates to USER-REAXC code in USER-OMP from Chris Knight. addresses issues with multiple threads in use
2017-07-20 12:11:46 -04:00
reaxc_multi_body_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_nonbonded_omp.cpp
updates to USER-REAXC code in USER-OMP from Chris Knight. addresses issues with multiple threads in use
2017-07-20 12:11:46 -04:00
reaxc_nonbonded_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_torsion_angles_omp.cpp
updates to USER-REAXC code in USER-OMP from Chris Knight. addresses issues with multiple threads in use
2017-07-20 12:11:46 -04:00
reaxc_torsion_angles_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
reaxc_valence_angles_omp.cpp
updates to USER-REAXC code in USER-OMP from Chris Knight. addresses issues with multiple threads in use
2017-07-20 12:11:46 -04:00
reaxc_valence_angles_omp.h
updated the credits and citations for pair style reaxc/omp and qeq/reax/omp
2017-07-11 08:05:36 -07:00
respa_omp.cpp
update respa/omp integrator style for neighbor list refactor
2017-10-18 11:24:44 -04:00
respa_omp.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-06 16:44:51 +00:00
thr_data.cpp
fix unitialized pointer issue in USER-OMP with pppm/disp
2017-07-18 00:44:24 -04:00
thr_data.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
thr_omp.cpp
fix bug where per atom data for USER-OMP was reducing the wrong arrays with hybrid styles
2017-01-26 14:59:10 -05:00
thr_omp.h
add USER-OMP version of pair style agni
2016-11-11 19:08:01 -05:00

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.

--------------------------

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.