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lammps/src/KOKKOS
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Axel Kohlmeyer a96aef73d1 Merge remote-tracking branch 'github/develop' into neigh-request-refactor
2022-03-18 18:28:35 -04:00
..
angle_charmm_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_charmm_kokkos.h
Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
2022-01-31 11:04:41 -05:00
angle_class2_kokkos.cpp
Fix compile error in angle_class2_kokkos
2021-12-21 08:34:02 -07:00
angle_class2_kokkos.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_cosine_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_cosine_kokkos.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_harmonic_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_harmonic_kokkos.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
atom_kokkos.cpp
simplify code using utils::strdup()
2021-08-23 21:06:56 -04:00
atom_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
atom_map_kokkos.cpp
apply clang-format to packages
2021-08-23 21:06:33 -04:00
atom_vec_angle_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_angle_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_atomic_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_atomic_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_bond_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_bond_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_charge_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_charge_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_dpd_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_dpd_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_full_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_full_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_hybrid_kokkos.cpp
modernize parsing of Velocities section of data files
2021-12-30 19:14:09 -05:00
atom_vec_hybrid_kokkos.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
atom_vec_kokkos.cpp
modernize parsing of Velocities section of data files
2021-12-30 19:14:09 -05:00
atom_vec_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_molecular_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_molecular_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_sphere_kokkos.cpp
modernize parsing of Velocities section of data files
2021-12-30 19:14:09 -05:00
atom_vec_sphere_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
atom_vec_spin_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_spin_kokkos.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
bond_class2_kokkos.cpp
Fix compile issue with bond_class2_kokkos and UVM-enabled
2021-10-05 14:49:30 -06:00
bond_class2_kokkos.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_fene_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
bond_fene_kokkos.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_harmonic_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_harmonic_kokkos.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
comm_kokkos.cpp
Merge branch 'develop' into rename_comm_forw_rev
2022-02-22 16:45:06 -05:00
comm_kokkos.h
rename reverse communication calls
2022-02-21 21:18:28 -05:00
comm_tiled_kokkos.cpp
rename reverse communication calls
2022-02-21 21:18:28 -05:00
comm_tiled_kokkos.h
rename reverse communication calls
2022-02-21 21:18:28 -05:00
compute_ave_sphere_atom_kokkos.cpp
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
compute_ave_sphere_atom_kokkos.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_coord_atom_kokkos.cpp
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
compute_coord_atom_kokkos.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_orientorder_atom_kokkos.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_orientorder_atom_kokkos.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_deform_kokkos.cpp
reformat, minor cosmetic changes
2021-08-18 05:53:23 -04:00
compute_temp_deform_kokkos.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_kokkos.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
dihedral_charmm_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
dihedral_charmm_kokkos.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_class2_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
dihedral_class2_kokkos.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_harmonic_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
dihedral_harmonic_kokkos.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_opls_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
dihedral_opls_kokkos.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
domain_kokkos.cpp
Fix bug with v remap option in Kokkos fix deform
2021-08-20 16:08:06 -06:00
domain_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
dynamical_matrix_kokkos.cpp
Unify comment style
2022-01-31 09:25:25 -07:00
dynamical_matrix_kokkos.h
add missing override keywords
2022-02-18 12:06:06 -05:00
fft3d_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fft3d_kokkos.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
fftdata_kokkos.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_acks2_reaxff_kokkos.cpp
Merge remote-tracking branch 'github/develop' into neigh-request-refactor
2022-03-18 18:28:35 -04:00
fix_acks2_reaxff_kokkos.h
Refactor some declarations in KOKKOS package
2022-01-25 14:29:00 -05:00
fix_deform_kokkos.cpp
use improved accessors for fixes
2022-01-27 22:16:43 -05:00
fix_deform_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_dpd_energy_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dpd_energy_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_enforce2d_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_eos_table_rx_kokkos.cpp
rename reverse communication calls
2022-02-21 21:18:28 -05:00
fix_eos_table_rx_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_freeze_kokkos.cpp
Fix issue with Kokkos granular and pair/only on
2021-08-26 13:26:46 -06:00
fix_freeze_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_gravity_kokkos.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
fix_gravity_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_langevin_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_langevin_kokkos.h
Remove another volatile return type to avoid warning
2022-01-31 09:58:44 -07:00
fix_minimize_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
fix_momentum_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_neigh_history_kokkos.cpp
Fix issue with Kokkos granular and pair/only on
2021-08-26 13:26:46 -06:00
fix_neigh_history_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nh_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nph_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_npt_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve_sphere_kokkos.cpp
Remove unnecessary data tranfer in fix_nve_sphere_kokkos
2021-08-26 13:36:32 -06:00
fix_nve_sphere_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt_sllod_kokkos.cpp
Fix memory issue in fix_nvt_sllod_kokkos
2021-08-26 09:36:16 -06:00
fix_nvt_sllod_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_property_atom_kokkos.cpp
Port changes from #2903 to Kokkos
2021-08-30 12:43:07 -06:00
fix_property_atom_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_qeq_reaxff_kokkos.cpp
Merge remote-tracking branch 'github/develop' into neigh-request-refactor
2022-03-18 18:28:35 -04:00
fix_qeq_reaxff_kokkos.h
Switch to vector parallelism for half list in QEq
2022-03-03 08:09:25 -07:00
fix_reaxff_bonds_kokkos.cpp
general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
2021-07-21 21:52:25 -04:00
fix_reaxff_bonds_kokkos.h
Add missing override keywords
2022-01-26 16:16:53 -05:00
fix_reaxff_species_kokkos.cpp
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
fix_reaxff_species_kokkos.h
Add missing override keywords
2022-01-26 16:16:53 -05:00
fix_rx_kokkos.cpp
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
fix_rx_kokkos.h
Fix compiler warning
2022-01-31 09:47:32 -07:00
fix_setforce_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_setforce_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_shake_kokkos.cpp
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
fix_shake_kokkos.h
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
fix_shardlow_kokkos.cpp
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
fix_shardlow_kokkos.h
remove redundant '// clang-format off' marker
2021-08-23 21:17:04 -04:00
fix_wall_lj93_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj93_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_reflect_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_reflect_kokkos.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
gridcomm_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
gridcomm_kokkos.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
improper_class2_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
improper_class2_kokkos.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_harmonic_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
improper_harmonic_kokkos.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
Install.sh
Merge branch 'master' into OptimizedDynamicalMatrix
2022-01-28 11:08:31 -08:00
kissfft_kokkos.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kokkos_base_fft.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kokkos_base.h
Remove redundant GPL license
2021-12-15 16:51:53 -07:00
kokkos_few.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
kokkos_type.h
Fix bug in history
2022-02-19 08:33:47 -07:00
kokkos.cpp
Improve error check
2022-02-15 16:04:23 -07:00
kokkos.h
Improve error check
2022-02-15 16:04:23 -07:00
math_special_kokkos.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
math_special_kokkos.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
memory_kokkos.h
Remove unused variable
2022-01-26 11:37:53 -05:00
min_cg_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_cg_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
min_kokkos.cpp
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
min_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
min_linesearch_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_linesearch_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
modify_kokkos.cpp
whitespace
2021-10-06 08:33:02 -07:00
modify_kokkos.h
Apply override to remaining classes
2022-01-22 09:56:01 -05:00
nbin_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin_kokkos.h
Apply override to NBin classes
2022-01-20 15:44:16 -05:00
nbin_ssa_kokkos.cpp
Changes needed to compile LAMMPS with latest Kokkos develop
2022-02-01 15:00:40 -07:00
nbin_ssa_kokkos.h
Apply override to NBin classes
2022-01-20 15:44:16 -05:00
neigh_bond_kokkos.cpp
Remove atomics for error/warning flags since they are not needed
2021-12-10 13:14:12 -07:00
neigh_bond_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
neigh_list_kokkos.cpp
Reduce memory use in Kokkos package
2022-03-11 00:07:47 -05:00
neigh_list_kokkos.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
neighbor_kokkos.cpp
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
neighbor_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
npair_copy_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_copy_kokkos.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_halffull_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_kokkos.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_kokkos.cpp
Reduce memory use in Kokkos package
2022-03-11 00:07:47 -05:00
npair_kokkos.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_skip_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_kokkos.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_ssa_kokkos.cpp
Don't use fetch variant of atomic if not needed
2021-12-10 13:27:57 -07:00
npair_ssa_kokkos.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
pack_kokkos.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
pair_buck_coul_cut_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_buck_coul_cut_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck_coul_long_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_buck_coul_long_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_buck_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_cut_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_coul_cut_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_debye_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_coul_debye_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_dsf_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_coul_dsf_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_long_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_coul_long_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_wolf_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_coul_wolf_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_dpd_fdt_energy_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_dpd_fdt_energy_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_eam_alloy_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_eam_alloy_kokkos.h
Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
2022-01-31 11:04:41 -05:00
pair_eam_fs_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_eam_fs_kokkos.h
Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
2022-01-31 11:04:41 -05:00
pair_eam_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_eam_kokkos.h
Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
2022-01-31 11:04:41 -05:00
pair_exp6_rx_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_exp6_rx_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_gran_hooke_history_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_gran_hooke_history_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_hybrid_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_hybrid_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_hybrid_overlay_kokkos.cpp
Reduce differences between original pair hybrid and kokkos variant
2022-01-27 16:14:46 -05:00
pair_hybrid_overlay_kokkos.h
Merge remote-tracking branch 'origin/develop' into kokkos_unittests
2022-01-31 11:04:18 -05:00
pair_kokkos.h
Changes needed to compile LAMMPS with latest Kokkos develop
2022-02-01 15:00:40 -07:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_charmm_coul_charmm_implicit_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_charmm_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_charmm_coul_charmm_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_charmm_coul_long_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_charmm_coul_long_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_class2_coul_cut_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_class2_coul_cut_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_class2_coul_long_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_class2_coul_long_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_class2_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_class2_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_cut_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_cut_coul_cut_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_debye_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_cut_coul_debye_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_dsf_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_cut_coul_dsf_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_long_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_cut_coul_long_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_cut_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_expand_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_expand_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_gromacs_coul_gromacs_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_gromacs_coul_gromacs_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_gromacs_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_gromacs_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_sdk_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_lj_sdk_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_morse_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_morse_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_multi_lucy_rx_kokkos.cpp
Merge branch 'develop' into neigh-request-refactor
2022-03-15 11:39:45 -04:00
pair_multi_lucy_rx_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_reaxff_kokkos.cpp
Merge remote-tracking branch 'github/develop' into neigh-request-refactor
2022-03-18 18:28:35 -04:00
pair_reaxff_kokkos.h
Reduce memory use in Kokkos package
2022-03-11 00:07:47 -05:00
pair_snap_kokkos_impl.h
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_snap_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_snap_kokkos.h
Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
2022-01-31 11:04:41 -05:00
pair_sw_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_sw_kokkos.h
Rename function to avoid warning
2022-01-31 10:47:56 -07:00
pair_table_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_table_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_table_rx_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_table_rx_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_tersoff_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_tersoff_kokkos.h
Update from upstream
2022-01-31 20:01:10 -07:00
pair_tersoff_mod_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_tersoff_mod_kokkos.h
Remove early exit from blocking BuildLists
2022-02-21 14:00:31 -07:00
pair_tersoff_zbl_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_tersoff_zbl_kokkos.h
Remove early exit from blocking BuildLists
2022-02-21 14:00:31 -07:00
pair_vashishta_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_vashishta_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_yukawa_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_yukawa_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_zbl_kokkos.cpp
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
pair_zbl_kokkos.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pppm_kokkos.cpp
silence compiler warnings about unused variables
2022-03-18 18:09:24 -04:00
pppm_kokkos.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
rand_pool_wrap_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
rand_pool_wrap_kokkos.h
Apply override to remaining classes
2022-01-22 09:56:01 -05:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_block_kokkos.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
remap_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
remap_kokkos.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
sna_kokkos_impl.h
Remove comment
2021-08-27 11:03:54 -04:00
sna_kokkos.h
Refactor some declarations in KOKKOS package
2022-01-25 14:29:00 -05:00
third_order_kokkos.cpp
Unify comment style
2022-01-31 09:25:25 -07:00
third_order_kokkos.h
add missing override keywords
2022-02-18 12:06:06 -05:00
verlet_kokkos.cpp
Fix rare bug in Kokkos with CUDA UVM
2022-02-25 16:45:58 -07:00
verlet_kokkos.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00

README 

This package implements optimizations of various LAMMPS styles using
the Kokkos library, which is part of Trilinos
(http://trilinos.sandia.gov/packages/kokkos).  It's a templated C++
library that provides two key abstractions for an application like
LAMMPS.  First, it allows a single implementation of an application
kernel (e.g. a pair style) to run efficiently on different kinds of
hardware, such as a GPU, Intel Phi, or many-core chip.

This package uses an external library in lib/kokkos.  However the
"library" is mostly header files and is auto-built when building
LAMMPS with this package installed, so no special pre-build of the
library is necessary.  See the lib/kokkos/README file and the LAMMPS
manual for information on building LAMMPS with external libraries.
The settings in the Makefile.lammps file in that directory must be
correct for LAMMPS to build correctly with this package installed.

This package was developed primarily by Christian Trott (Sandia) with
contributions of various styles by others, including Sikandar Mashayak
(UIUC).  It is now maintained by Stan Moore (Sandia).  The underlying
Kokkos library was written primarily by Carter Edwards,
 Christian Trott, and Dan Sunderland (all Sandia).