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lammps/src/KOKKOS
History
Stan Moore a9431208a2 Use c++11 variadic magic, suggested by @weinbe2
2022-05-19 10:35:10 -06:00
..
angle_charmm_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_charmm_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
angle_class2_kokkos.cpp
Fix compile error in angle_class2_kokkos
2021-12-21 08:34:02 -07:00
angle_class2_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
angle_cosine_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_cosine_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
angle_harmonic_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_harmonic_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
atom_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
atom_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
atom_vec_hybrid_kokkos.cpp
"stringify" and "vectorize" processing of per-atom attributs in AtomVec classes
2022-04-14 11:06:10 -04:00
atom_vec_hybrid_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
atom_vec_spin_kokkos.cpp
port data_atom() changes to KOKKOS
2021-12-30 18:42:15 -05:00
atom_vec_spin_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
bond_harmonic_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_harmonic_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
comm_kokkos.cpp
Merge branch 'develop' into rename_comm_forw_rev
2022-02-22 16:45:06 -05:00
comm_kokkos.h
Fix warnings in Kokkos package
2022-05-06 08:23:45 -06:00
comm_tiled_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
comm_tiled_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
compute_ave_sphere_atom_kokkos.cpp
clang-format update
2022-04-23 13:08:11 -04:00
compute_ave_sphere_atom_kokkos.h
clang-format update
2022-04-23 13:08:11 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
compute_orientorder_atom_kokkos.cpp
small programming style upgrade, apply clang-format, silence compiler warnings
2022-05-06 16:44:13 -04:00
compute_orientorder_atom_kokkos.h
Fix compiler warnings
2022-05-16 14:35:24 -04:00
compute_temp_deform_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
compute_temp_deform_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
compute_temp_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
domain_kokkos.cpp
Need both versions of join
2022-04-11 15:13:44 -06:00
domain_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
dynamical_matrix_kokkos.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
dynamical_matrix_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fft3d_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fft3d_kokkos.h
Add support for hipFFT backend in PPPMKokkos.
2022-04-27 09:22:59 +10:00
fftdata_kokkos.h
Merge branch 'develop' into collected-small-changes
2022-05-06 11:45:51 -04:00
fix_acks2_reaxff_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_acks2_reaxff_kokkos.h
Fix issues in ReaxFF QEq and ACKS2
2022-04-04 10:24:54 -06:00
fix_deform_kokkos.cpp
use improved accessors for fixes
2022-01-27 22:16:43 -05:00
fix_deform_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_enforce2d_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_eos_table_rx_kokkos.cpp
rename reverse communication calls
2022-02-21 21:18:28 -05:00
fix_eos_table_rx_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -04:00
fix_minimize_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_momentum_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_nh_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_nph_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_npt_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_nve_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_property_atom_kokkos.cpp
Port changes from #2903 to Kokkos
2021-08-30 12:43:07 -06:00
fix_property_atom_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_qeq_reaxff_kokkos.cpp
Should be nall not nghost
2022-04-04 12:08:38 -06:00
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
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_reaxff_bonds_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_reaxff_species_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_reaxff_species_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
fix_rx_kokkos.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
fix_rx_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
fix_setforce_kokkos.cpp
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
fix_setforce_kokkos.h
Merge branch 'develop' into remove-error-docs-in-header
2022-04-23 12:46:54 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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 error docs from header files
2022-04-22 23:31:15 -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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
Install.sh
Add Kokkos version of ML-PACE
2022-05-12 15:25:07 -06:00
kissfft_kokkos.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kokkos_base_fft.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
kokkos_base.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
kokkos_few.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
kokkos_type.h
Add Kokkos version of ML-PACE
2022-05-12 15:25:07 -06:00
kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
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
Use c++11 variadic magic, suggested by @weinbe2
2022-05-19 10:35:10 -06:00
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
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
min_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
min_linesearch_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -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
remove error docs from header files
2022-04-22 23:31:15 -04:00
nbin_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
nbin_ssa_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
nbin_ssa_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
neigh_list_kokkos.cpp
Add neigh transpose as Kokkos package option
2022-03-25 09:17:39 -07:00
neigh_list_kokkos.h
Add neigh transpose as Kokkos package option
2022-03-25 09:17:39 -07:00
neighbor_kokkos.cpp
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
neighbor_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
npair_copy_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_copy_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
npair_halffull_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
npair_kokkos.cpp
Merge branch 'develop' of https://github.com/lammps/lammps into coo_opt
2022-05-06 13:24:14 -06:00
npair_kokkos.h
Merge branch 'develop' of https://github.com/lammps/lammps into coo_opt
2022-05-06 13:24:14 -06:00
npair_skip_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
npair_ssa_kokkos.cpp
Fix compiler warnings
2022-05-16 14:48:02 -04:00
npair_ssa_kokkos.h
Fix compiler warnings
2022-05-16 14:48:02 -04:00
pack_kokkos.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
pair_adp_kokkos.cpp
Sync with pair eam
2022-05-04 10:15:36 -06:00
pair_adp_kokkos.h
Sync with pair eam
2022-05-04 10:15:36 -06:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_dpd_ext_kokkos.cpp
Remove redundant calls
2022-04-08 13:28:14 -06:00
pair_dpd_ext_kokkos.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_dpd_ext_tstat_kokkos.cpp
Remove redundant calls
2022-04-08 13:28:14 -06:00
pair_dpd_ext_tstat_kokkos.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_dpd_fdt_energy_kokkos.cpp
addressing comments from Evan's review
2022-04-01 17:02:57 +02:00
pair_dpd_fdt_energy_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_dpd_kokkos.cpp
Remove redundant calls
2022-04-08 13:28:14 -06:00
pair_dpd_kokkos.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_dpd_tstat_kokkos.cpp
Remove redundant calls
2022-04-08 13:28:14 -06:00
pair_dpd_tstat_kokkos.h
clang-format update
2022-04-23 13:08:11 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_eam_kokkos.cpp
Fix typo
2022-05-04 10:18:11 -06:00
pair_eam_kokkos.h
Sync with pair eam
2022-05-04 10:15:36 -06:00
pair_exp6_rx_kokkos.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
pair_exp6_rx_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_hybrid_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
pair_hybrid_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_pace_kokkos.cpp
Initial refactor of view allocation in Kokkos package
2022-05-18 17:15:36 -06:00
pair_pace_kokkos.h
Fix compiler warnings
2022-05-16 14:35:24 -04:00
pair_reaxff_kokkos.cpp
Remove use_count check, reduce memory use in ReaxFF
2022-05-19 09:10:20 -06:00
pair_reaxff_kokkos.h
Remove use_count check, reduce memory use in ReaxFF
2022-05-19 09:10:20 -06:00
pair_snap_kokkos_impl.h
Initial refactor of view allocation in Kokkos package
2022-05-18 17:15:36 -06:00
pair_snap_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_snap_kokkos.h
Initial refactor of view allocation in Kokkos package
2022-05-18 17:15:36 -06:00
pair_sw_kokkos.cpp
Fix copy/paste error
2022-04-14 13:47:57 -06:00
pair_sw_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_tersoff_kokkos.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
pair_tersoff_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_tersoff_mod_kokkos.cpp
Fix copy/paste error
2022-04-14 13:47:57 -06:00
pair_tersoff_mod_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
pair_tersoff_zbl_kokkos.cpp
Fix copy/paste error
2022-04-14 13:47:57 -06:00
pair_tersoff_zbl_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
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
remove error docs from header files
2022-04-22 23:31:15 -04:00
pppm_kokkos.cpp
silence compiler warnings about unused variables
2022-03-18 18:09:24 -04:00
pppm_kokkos.h
Fix compiler warnings
2022-05-16 14:35:24 -04:00
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
Fix warnings in Kokkos package
2022-05-06 08:23:45 -06:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
region_block_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
remap_kokkos.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
remap_kokkos.h
remove error docs from header files
2022-04-22 23:31:15 -04:00
sna_kokkos_impl.h
Initial refactor of view allocation in Kokkos package
2022-05-18 17:15:36 -06:00
sna_kokkos.h
more whitespace
2022-04-29 09:37:27 -06:00
third_order_kokkos.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
third_order_kokkos.h
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
transpose_helper_kokkos.h
clang-format update
2022-04-23 13:08:11 -04:00
verlet_kokkos.cpp
propagate changes from previous commit to other packages that were missing them
2022-04-22 21:46:24 -04:00
verlet_kokkos.h
make force_clear() a public pure function in min.h and integrate.h
2022-05-04 12:30:17 -04:00

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).