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4520eef1b07afb7d971690f412e73b0760f0eb68
lammps/src/KOKKOS
History
Axel Kohlmeyer 29a7d598ac update formatting style to be more consistent
2020-09-21 02:04:58 -04:00
..
angle_charmm_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
angle_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
angle_class2_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
angle_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_cosine_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
angle_cosine_kokkos.h
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
angle_harmonic_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
angle_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
atom_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
atom_vec_angle_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_atomic_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_atomic_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_bond_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_bond_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_charge_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_charge_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_dpd_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_dpd_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_full_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_full_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_hybrid_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
atom_vec_kokkos.h
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
atom_vec_molecular_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_molecular_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
atom_vec_sphere_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
atom_vec_sphere_kokkos.h
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
bond_class2_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
bond_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
bond_fene_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
bond_fene_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_harmonic_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
bond_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
comm_kokkos.cpp
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
comm_kokkos.h
Fix thread safety issue in fused forward comm
2019-03-20 14:32:03 -06:00
comm_tiled_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
comm_tiled_kokkos.h
…
compute_coord_atom_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
compute_coord_atom_kokkos.h
Fix typo
2020-02-25 10:34:29 -07:00
compute_orientorder_atom_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
compute_orientorder_atom_kokkos.h
Update from master
2020-04-24 12:18:53 -06:00
compute_temp_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -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
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
dihedral_charmm_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
dihedral_class2_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
dihedral_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_harmonic_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
dihedral_harmonic_kokkos.h
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_opls_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
dihedral_opls_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
domain_kokkos.cpp
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
domain_kokkos.h
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fft3d_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_deform_kokkos.h
…
fix_dpd_energy_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_dpd_energy_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_enforce2d_kokkos.cpp
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -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
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
fix_eos_table_rx_kokkos.h
Fix typo
2020-03-14 13:57:48 +09:00
fix_freeze_kokkos.cpp
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
fix_freeze_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_gravity_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_gravity_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_langevin_kokkos.cpp
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
fix_langevin_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_minimize_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_minimize_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_momentum_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_momentum_kokkos.h
…
fix_neigh_history_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_neigh_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nh_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -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
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_nph_kokkos.h
…
fix_npt_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_npt_kokkos.h
…
fix_nve_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_nve_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nve_sphere_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_nve_sphere_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_nvt_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_nvt_kokkos.h
…
fix_property_atom_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_property_atom_kokkos.h
…
fix_qeq_reax_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_qeq_reax_kokkos.h
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
fix_reaxc_bonds_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_reaxc_bonds_kokkos.h
…
fix_reaxc_species_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_reaxc_species_kokkos.h
…
fix_rx_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_rx_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_setforce_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_setforce_kokkos.h
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_shardlow_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
fix_shardlow_kokkos.h
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
fix_wall_lj93_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
fix_wall_lj93_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
fix_wall_reflect_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
fix_wall_reflect_kokkos.h
…
gridcomm_kokkos.cpp
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
gridcomm_kokkos.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
improper_class2_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
improper_class2_kokkos.h
Fix compile for UVM
2020-03-25 13:58:20 -06:00
improper_harmonic_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
improper_harmonic_kokkos.h
Fix UVM compile issues
2020-04-27 14:47:03 -06:00
Install.sh
Fix whitespace
2020-06-16 07:20:09 -04:00
kissfft_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
Move FFT data types out of kokkos_type.h
2020-01-29 17:15:47 -07:00
kokkos_few.h
…
kokkos_type.h
Merge pull request #2373 from stanmoore1/kk_wkar
2020-09-17 20:24:39 -04:00
kokkos.cpp
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
kokkos.h
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
math_special_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
math_special_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
memory_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
min_cg_kokkos.cpp
C3 JT 041420
2020-04-14 15:22:20 -06:00
min_cg_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
min_kokkos.h
C3 JT 041420
2020-04-14 15:22:20 -06:00
min_linesearch_kokkos.cpp
some more second pass cleanup
2020-09-04 00:46:23 -04:00
min_linesearch_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
modify_kokkos.cpp
…
modify_kokkos.h
…
nbin_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
nbin_kokkos.h
first pass at implementing atom2bin for KOKKOS neighbor lists
2017-09-25 14:06:20 -05:00
nbin_ssa_kokkos.cpp
reduce compiler warnings in KOKKOS version of USER-DPD code
2020-08-13 20:54:06 -04:00
nbin_ssa_kokkos.h
…
neigh_bond_kokkos.cpp
add missing updates for symbolic constants in Atom class
2020-09-16 23:19:10 -04:00
neigh_bond_kokkos.h
…
neigh_list_kokkos.cpp
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
neigh_list_kokkos.h
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
neighbor_kokkos.cpp
add missing updates for symbolic constants in Atom class
2020-09-16 23:19:10 -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
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
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
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
npair_halffull_kokkos.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair_kokkos.cpp
Merge pull request #2373 from stanmoore1/kk_wkar
2020-09-17 20:24:39 -04:00
npair_kokkos.h
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
npair_skip_kokkos.cpp
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
npair_skip_kokkos.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair_ssa_kokkos.cpp
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
npair_ssa_kokkos.h
reorder initialization in constructor to silence compiler warnings
2020-08-18 15:47:03 -04:00
pack_kokkos.h
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
pair_buck_coul_cut_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_buck_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_buck_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_buck_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_cut_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_coul_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_debye_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_coul_debye_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_dsf_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_coul_dsf_kokkos.h
…
pair_coul_long_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_coul_long_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_coul_wolf_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_coul_wolf_kokkos.h
…
pair_dpd_fdt_energy_kokkos.cpp
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
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
update formatting style to be more consistent
2020-09-21 02:04:58 -04:00
pair_eam_alloy_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_eam_fs_kokkos.cpp
update formatting style to be more consistent
2020-09-21 02:04:58 -04:00
pair_eam_fs_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_eam_kokkos.cpp
Update from master
2020-08-25 20:29:03 -06:00
pair_eam_kokkos.h
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_exp6_rx_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_gran_hooke_history_kokkos.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
pair_hybrid_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
IWYU based include statement cleanup
2020-09-02 17:39:34 -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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_lj_cut_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_expand_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_lj_gromacs_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_lj_sdk_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_lj_sdk_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_morse_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_morse_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_multi_lucy_rx_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_multi_lucy_rx_kokkos.h
Add multiple inheritance to pair_multi_lucy_rx_kokkos
2017-12-04 10:43:41 -07:00
pair_reaxc_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_reaxc_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_snap_kokkos_impl.h
Update from master
2020-08-25 20:29:03 -06:00
pair_snap_kokkos.cpp
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
pair_snap_kokkos.h
Changes needed for Kokkos v3.2
2020-08-21 14:45:12 -05:00
pair_sw_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_sw_kokkos.h
Changes needed for Kokkos v3.2
2020-08-21 14:45:12 -05:00
pair_table_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_table_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_table_rx_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_mod_kokkos.cpp
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_mod_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_zbl_kokkos.cpp
Update from master
2020-08-25 20:29:03 -06:00
pair_tersoff_zbl_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
pair_vashishta_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_vashishta_kokkos.h
Fix compiler warnings
2018-03-14 13:27:03 -06:00
pair_yukawa_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_yukawa_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pair_zbl_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
pair_zbl_kokkos.h
Make all Kokkos functors structs
2020-08-20 13:52:53 -06:00
pppm_kokkos.cpp
Fast forward porting work to master
2020-09-17 10:45:04 -05:00
pppm_kokkos.h
Port changes to PPPMKokkos
2020-08-18 16:06:43 -06:00
rand_pool_wrap_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
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
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
region_block_kokkos.h
Use multiple inheritance to remove accelerator_kokkos.h out of region.h and kspace.h
2017-12-01 10:18:22 -07:00
remap_kokkos.cpp
Manually resolve two rebase conflicts.
2020-09-14 12:04:51 -06:00
remap_kokkos.h
Allow Kokkos remap to turn off Cuda-aware MPI
2020-05-01 12:09:32 -06:00
sna_kokkos_impl.h
Add workaround for performance regression
2020-09-17 16:33:48 -06:00
sna_kokkos.h
Update from master
2020-08-25 20:29:03 -06:00
verlet_kokkos.cpp
whitespace cleanup: remove (evil) tabs
2019-11-03 11:01:42 -05:00
verlet_kokkos.h
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
2018-02-22 07:53:58 -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).