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f2bdd4654ebc742cf6232189372e625ae263f626
lammps/src/KOKKOS
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Stan Moore f2bdd4654e Update from master
2021-01-06 08:15:37 -07:00
..
angle_charmm_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
angle_class2_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_cosine_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_cosine_kokkos.h
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
angle_harmonic_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
angle_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
atom_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
atom_kokkos.h
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
atom_vec_angle_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_angle_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_atomic_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_atomic_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_bond_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_bond_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_charge_kokkos.cpp
Fix sync/modify issues in fix_qeq
2020-12-24 10:28:52 -07:00
atom_vec_charge_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_dpd_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_dpd_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_full_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_full_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_hybrid_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
atom_vec_hybrid_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_kokkos.h
Fix Kokkos performance regression for small systems
2020-12-11 08:46:26 -07:00
atom_vec_molecular_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_molecular_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_sphere_kokkos.cpp
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
atom_vec_sphere_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
bond_class2_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
bond_fene_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_fene_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_harmonic_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
comm_kokkos.cpp
Add back in param
2020-12-22 14:51:27 -07:00
comm_kokkos.h
Small tweaks
2020-12-22 14:47:41 -07:00
comm_tiled_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
comm_tiled_kokkos.h
…
compute_coord_atom_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_coord_atom_kokkos.h
Fix typo
2020-02-25 10:34:29 -07:00
compute_orientorder_atom_kokkos.cpp
consolidate multiple factorial() function definitions into MathSpecial::factorial()
2020-12-17 12:47:04 -05:00
compute_orientorder_atom_kokkos.h
Update from master
2020-04-24 12:18:53 -06:00
compute_temp_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp_kokkos.h
Making ComputeTempKokkos compatible with rmass in device memory.
2018-07-03 12:05:21 -04:00
dihedral_charmm_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
dihedral_class2_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_harmonic_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_harmonic_kokkos.h
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_opls_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
dihedral_opls_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
domain_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
domain_kokkos.h
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fft3d_kokkos.cpp
Fix memory bug in Kokkos KISS FFT
2020-11-13 13:12:50 -07:00
fft3d_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
fftdata_kokkos.h
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_deform_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_deform_kokkos.h
…
fix_dpd_energy_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_dpd_energy_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_enforce2d_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_enforce2d_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_eos_table_rx_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_eos_table_rx_kokkos.h
Fix typo
2020-03-14 13:57:48 +09:00
fix_freeze_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_freeze_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_gravity_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_gravity_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_langevin_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_langevin_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_minimize_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_minimize_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_momentum_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_momentum_kokkos.h
…
fix_neigh_history_kokkos.cpp
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
fix_neigh_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nh_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nh_kokkos.h
Fix issues with rmass in KOKKOS package
2018-07-10 08:59:06 -06:00
fix_nph_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nph_kokkos.h
…
fix_npt_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_npt_kokkos.h
…
fix_nve_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nve_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nve_sphere_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nve_sphere_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nvt_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_nvt_kokkos.h
…
fix_property_atom_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_property_atom_kokkos.h
…
fix_qeq_reax_kokkos.cpp
Update from master
2021-01-06 08:15:37 -07:00
fix_qeq_reax_kokkos.h
Add Kokkos support for fix shake and forward comm on Device
2020-10-22 11:59:41 -06:00
fix_reaxc_bonds_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_reaxc_bonds_kokkos.h
…
fix_reaxc_species_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_reaxc_species_kokkos.h
…
fix_rx_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_rx_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_setforce_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_setforce_kokkos.h
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_shake_kokkos.cpp
whitespace fixes
2020-11-25 16:51:41 -05:00
fix_shake_kokkos.h
Fix GPU memory issues
2020-10-26 12:42:26 -06:00
fix_shardlow_kokkos.cpp
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
fix_shardlow_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
fix_wall_lj93_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_lj93_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_wall_reflect_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_reflect_kokkos.h
…
gridcomm_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
gridcomm_kokkos.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
improper_class2_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
improper_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
improper_harmonic_kokkos.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
improper_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
Install.sh
Add Kokkos support for fix shake and forward comm on Device
2020-10-22 11:59:41 -06:00
kissfft_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
kissfft_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
kokkos_base_fft.h
Port changes to PPPMKokkos
2020-08-18 16:06:43 -06:00
kokkos_base.h
Add Kokkos support for fix shake and forward comm on Device
2020-10-22 11:59:41 -06:00
kokkos_few.h
…
kokkos_type.h
Switch 'real' to 'real_type'
2021-01-05 09:08:57 -07:00
kokkos.cpp
provide input script backward compatibility w/o documenting the old option
2021-01-04 23:28:58 -05:00
kokkos.h
Cleanup
2020-12-22 14:22:41 -07:00
math_special_kokkos.cpp
update outdated URLs
2020-10-21 17:03:46 -04:00
math_special_kokkos.h
…
memory_kokkos.h
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
min_cg_kokkos.cpp
Merge pull request #2444 from stanmoore1/kk_global_dof
2020-10-26 17:07:27 -04:00
min_cg_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_kokkos.cpp
Merge pull request #2444 from stanmoore1/kk_global_dof
2020-10-26 17:07:27 -04:00
min_kokkos.h
C3 JT 041420
2020-04-14 15:22:20 -06:00
min_linesearch_kokkos.cpp
Merge pull request #2444 from stanmoore1/kk_global_dof
2020-10-26 17:07:27 -04:00
min_linesearch_kokkos.h
Add extra global DOFs for Kokkos minimize
2020-10-22 16:03:42 -06:00
modify_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
modify_kokkos.h
…
nbin_kokkos.cpp
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
nbin_kokkos.h
…
nbin_ssa_kokkos.cpp
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
nbin_ssa_kokkos.h
…
neigh_bond_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
neigh_bond_kokkos.h
…
neigh_list_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
neigh_list_kokkos.h
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
neighbor_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
neighbor_kokkos.h
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
npair_copy_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_copy_kokkos.h
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
npair_halffull_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_halffull_kokkos.h
…
npair_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_kokkos.h
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
npair_skip_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_skip_kokkos.h
…
npair_ssa_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_ssa_kokkos.h
Remove unneeded UVM code
2020-12-22 13:16:58 -07:00
pack_kokkos.h
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
pair_buck_coul_cut_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_buck_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_buck_coul_long_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_buck_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_buck_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_buck_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_cut_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_debye_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_debye_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_dsf_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_dsf_kokkos.h
…
pair_coul_long_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_wolf_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_coul_wolf_kokkos.h
…
pair_dpd_fdt_energy_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_dpd_fdt_energy_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
pair_eam_alloy_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_eam_alloy_kokkos.h
Update other EAM styles
2020-10-22 12:44:48 -06:00
pair_eam_fs_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_eam_fs_kokkos.h
Update other EAM styles
2020-10-22 12:44:48 -06:00
pair_eam_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_eam_kokkos.h
Kokkos EAM tweaks for V100
2020-10-21 14:07:46 -06:00
pair_exp6_rx_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_exp6_rx_kokkos.h
Fix runtime issues with pair_exp6_rx_kokkos
2020-03-26 17:12:08 -06:00
pair_gran_hooke_history_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_gran_hooke_history_kokkos.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
pair_hybrid_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_hybrid_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_hybrid_overlay_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_hybrid_overlay_kokkos.h
…
pair_kokkos.h
fix up some comments
2020-09-14 12:05:45 -06:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_charmm_coul_charmm_implicit_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_charmm_coul_charmm_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_charmm_coul_charmm_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_charmm_coul_long_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_charmm_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_class2_coul_cut_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_class2_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_class2_coul_long_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_class2_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_class2_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_class2_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_cut_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_cut_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_debye_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_cut_coul_debye_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_dsf_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_cut_coul_dsf_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_coul_long_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_cut_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_cut_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_expand_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_expand_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_gromacs_coul_gromacs_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_gromacs_coul_gromacs_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_gromacs_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_gromacs_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_sdk_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_lj_sdk_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_morse_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_morse_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_multi_lucy_rx_kokkos.cpp
Tweak sync/modify in pair_multi_lucy_rx_kokkos
2020-12-24 10:36:24 -07:00
pair_multi_lucy_rx_kokkos.h
…
pair_reaxc_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_reaxc_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_snap_kokkos_impl.h
Merge pull request #2532 from stanmoore1/kk_pair_fix_comm
2021-01-05 15:20:50 -05:00
pair_snap_kokkos.cpp
Further optimized algorithm for computing the Wigner U matrices and derivatives thereof. Replaced explicit double within the SNAP kernels with a compile-time "real" type. Optimized GPU compressed neighbor build within SNAP.
2020-12-29 14:23:58 -05:00
pair_snap_kokkos.h
Switch 'real' to 'real_type'
2021-01-05 09:08:57 -07:00
pair_sw_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_sw_kokkos.h
Changes needed for Kokkos v3.2
2020-08-21 14:45:12 -05:00
pair_table_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_table_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_table_rx_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_table_rx_kokkos.h
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
pair_tersoff_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_tersoff_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_mod_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_tersoff_mod_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_zbl_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_tersoff_zbl_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_vashishta_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_vashishta_kokkos.h
…
pair_yukawa_kokkos.cpp
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
pair_yukawa_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_zbl_kokkos.cpp
Merge branch 'master' of https://github.com/lammps/lammps into kk_pair_fix_comm
2020-12-22 09:19:18 -07:00
pair_zbl_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pppm_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pppm_kokkos.h
Port changes to PPPMKokkos
2020-08-18 16:06:43 -06:00
rand_pool_wrap_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
rand_pool_wrap_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
region_block_kokkos.h
…
remap_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
remap_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
sna_kokkos_impl.h
Update from master
2021-01-06 08:15:37 -07:00
sna_kokkos.h
Switch 'real' to 'real_type'
2021-01-05 09:08:57 -07:00
verlet_kokkos.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
verlet_kokkos.h
…

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).