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20cbe1edffeb181a7fb7efaa2df2e5e32a5135a5
lammps/src/KOKKOS
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mkanski 501558743b Merge with current master
2019-04-03 19:17:15 +02:00
..
angle_charmm_kokkos.cpp
use ev_init for angles
2019-03-13 17:51:41 +01:00
angle_charmm_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_class2_kokkos.cpp
use ev_init for angles
2019-03-13 17:51:41 +01:00
angle_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_cosine_kokkos.cpp
use ev_init for angles
2019-03-13 17:51:41 +01:00
angle_cosine_kokkos.h
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
angle_harmonic_kokkos.cpp
use ev_init for angles
2019-03-13 17:51:41 +01:00
angle_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
atom_kokkos.cpp
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
atom_kokkos.h
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
atom_vec_angle_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_angle_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
atom_vec_atomic_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_atomic_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
atom_vec_bond_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_bond_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
atom_vec_charge_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_charge_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
atom_vec_dpd_kokkos.cpp
Revert size_velocity change in atom_vec_dpd_kokkos
2018-10-11 16:38:44 -06:00
atom_vec_dpd_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
atom_vec_full_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_full_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
atom_vec_hybrid_kokkos.cpp
Fix hang with Kokkos and USER-DPD examples
2018-10-11 16:32:44 -06:00
atom_vec_hybrid_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_kokkos.cpp
Fix hang with Kokkos and USER-DPD examples
2018-10-11 16:32:44 -06:00
atom_vec_kokkos.h
Remove deprecated Kokkos code
2019-03-07 10:47:40 -07:00
atom_vec_molecular_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
atom_vec_molecular_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
atom_vec_sphere_kokkos.cpp
remove trailing blanks
2018-12-01 21:38:22 -05:00
atom_vec_sphere_kokkos.h
Fixing issues with AtomVecSphereKokkos not correctly handling cases with varying and constant radius.
2018-10-05 17:10:31 +01:00
bond_class2_kokkos.cpp
use ev_init for bonds
2019-03-13 17:54:10 +01:00
bond_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_fene_kokkos.cpp
use ev_init for bonds
2019-03-13 17:54:10 +01:00
bond_fene_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_harmonic_kokkos.cpp
use ev_init for bonds
2019-03-13 17:54:10 +01:00
bond_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
comm_kokkos.cpp
remove trailing blanks
2018-12-01 21:38:22 -05:00
comm_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
comm_tiled_kokkos.cpp
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
comm_tiled_kokkos.h
change purge target in Makefile, also fixed one issue with Make.py
2016-09-30 09:17:55 -06:00
compute_temp_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
compute_temp_kokkos.h
Making ComputeTempKokkos compatible with rmass in device memory.
2018-07-03 12:05:21 -04:00
dihedral_charmm_kokkos.cpp
use ev_init for dihedrals
2019-03-13 17:53:22 +01:00
dihedral_charmm_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_class2_kokkos.cpp
use ev_init for dihedrals
2019-03-13 17:53:22 +01:00
dihedral_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_opls_kokkos.cpp
use ev_init for dihedrals
2019-03-13 17:53:22 +01:00
dihedral_opls_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
domain_kokkos.cpp
Remove all thread fences except one in verlet_kokkos
2017-08-31 10:38:36 -06:00
domain_kokkos.h
eliminate the use of the "using" keyword in headers of the KOKKOS package
2019-04-03 00:13:52 -04:00
fix_deform_kokkos.cpp
move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h
2018-05-10 00:20:10 -04:00
fix_deform_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
fix_dpd_energy_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_dpd_energy_kokkos.h
member function containing lambdas must be public
2017-01-03 11:50:44 -07:00
fix_enforce2d_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_enforce2d_kokkos.h
Small tweaks to fix_enforce2d_kokkos
2018-07-11 12:39:04 -06:00
fix_eos_table_rx_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_eos_table_rx_kokkos.h
Updating fix_eos_table_rx_kokkos to USER-DPD changes
2017-01-03 10:09:44 -07:00
fix_freeze_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_freeze_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_gravity_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_gravity_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_langevin_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_langevin_kokkos.h
Fix issues with rmass in KOKKOS package
2018-07-10 08:59:06 -06:00
fix_momentum_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_momentum_kokkos.h
allow fix momentum angular with CUDA
2016-12-21 08:55:33 -07:00
fix_neigh_history_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_neigh_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nh_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_nh_kokkos.h
Fix issues with rmass in KOKKOS package
2018-07-10 08:59:06 -06:00
fix_nph_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_nph_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fix_npt_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_npt_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fix_nve_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_nve_kokkos.h
Fix runtime error in fix_nve_kokkos
2018-07-10 09:15:24 -06:00
fix_nve_sphere_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_nve_sphere_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nvt_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_nvt_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fix_property_atom_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_property_atom_kokkos.h
Adding Kokkos version of fix_property_atom
2016-12-15 15:50:30 -07:00
fix_qeq_reax_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_qeq_reax_kokkos.h
Merge from master
2018-03-21 17:24:35 -06:00
fix_reaxc_bonds_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_reaxc_bonds_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
fix_reaxc_species_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_reaxc_species_kokkos.h
Fixing execution space issues in KOKKOS package
2017-07-18 09:53:26 -06:00
fix_rx_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_rx_kokkos.h
Fix execution space issues
2017-08-25 14:45:47 -06:00
fix_setforce_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_setforce_kokkos.h
Fixing Kokkos execution space issue with regions
2017-07-25 13:37:01 -06:00
fix_shardlow_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_shardlow_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
fix_wall_lj93_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_wall_lj93_kokkos.h
Fixing issue in fix_wall_lj93_kokkos
2017-03-03 10:49:15 -07:00
fix_wall_reflect_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
fix_wall_reflect_kokkos.h
added examples/threebody, fix reaxc/speceies/kk
2016-11-04 10:56:04 -06:00
gridcomm_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
gridcomm_kokkos.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
improper_class2_kokkos.cpp
use ev_init for impropers
2019-03-13 17:50:50 +01:00
improper_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
improper_harmonic_kokkos.cpp
use ev_init for impropers
2019-03-13 17:50:50 +01:00
improper_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
Install.sh
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
kokkos_base.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
kokkos_few.h
allow constructing Few from array on device
2016-12-21 09:21:11 -07:00
kokkos_type.h
Replace deprecated Kokkos capacity() with span()
2019-03-07 10:23:17 -07:00
kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
math_special_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -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
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
modify_kokkos.cpp
Fixing auto_sync logic bug in modify_kokkos
2017-04-26 10:49:20 -06:00
modify_kokkos.h
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
nbin_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
nbin_kokkos.h
first pass at implementing atom2bin for KOKKOS neighbor lists
2017-09-25 14:06:20 -05:00
nbin_ssa_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
nbin_ssa_kokkos.h
consolidate sorting functions
2017-03-06 15:28:25 -07:00
neigh_bond_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
neigh_bond_kokkos.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
neigh_list_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
neigh_list_kokkos.h
Fix compile error with CUDA
2018-03-22 12:28:21 -06:00
neighbor_kokkos.cpp
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
2018-05-09 23:46:09 -04:00
neighbor_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
npair_copy_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
npair_copy_kokkos.h
More changes for Kokkos neighbor
2016-12-09 15:56:55 -07:00
npair_halffull_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
npair_halffull_kokkos.h
Fix issues in Kokkos npair_halffull and npair_skip
2018-01-13 21:32:59 -07:00
npair_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
npair_kokkos.h
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
npair_skip_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
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
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
npair_ssa_kokkos.h
USER-DPD Kokkos: propagate the new neigh_modify options from efaa4c67
2017-10-16 13:37:27 -05:00
pair_buck_coul_cut_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_buck_coul_cut_kokkos.h
Fixing typo in pair_buck_coul_cut_kokkos
2017-02-02 15:21:05 -07:00
pair_buck_coul_long_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_buck_coul_long_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_buck_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_buck_kokkos.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pair_coul_cut_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_cut_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_coul_debye_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_debye_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_coul_dsf_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_dsf_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_coul_long_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_long_kokkos.h
Merge pull request #373 from stanmoore1/kk_more_bugfixes
2017-02-03 14:45:31 -07:00
pair_coul_wolf_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_coul_wolf_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_dpd_fdt_energy_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_dpd_fdt_energy_kokkos.h
Merge branch 'master' into granular-kokkos
2018-08-02 10:11:50 +02:00
pair_eam_alloy_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_eam_alloy_kokkos.h
Small tweaks to Kokkos EAM
2018-08-10 13:10:02 -06:00
pair_eam_fs_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_eam_fs_kokkos.h
Small tweaks to Kokkos EAM
2018-08-10 13:10:02 -06:00
pair_eam_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_eam_kokkos.h
Small tweaks to Kokkos EAM
2018-08-10 13:10:02 -06:00
pair_exp6_rx_kokkos.cpp
must include omp.h header when using OpenMP API functions
2019-04-01 22:10:55 -04:00
pair_exp6_rx_kokkos.h
Fix execution space issues
2017-08-25 14:45:47 -06:00
pair_gran_hooke_history_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_gran_hooke_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
pair_hybrid_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_hybrid_kokkos.h
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
pair_hybrid_overlay_kokkos.cpp
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
pair_hybrid_overlay_kokkos.h
KOKKOS: fix a compile-time error caused by merge of patch 21Feb17
2017-02-22 11:52:20 -05:00
pair_kokkos.h
Add data duplication to pair_kokkos.h
2018-03-22 10:01:50 -06:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_charmm_coul_charmm_implicit_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_charmm_coul_charmm_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_charmm_coul_charmm_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_charmm_coul_long_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_charmm_coul_long_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_class2_coul_cut_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_class2_coul_cut_kokkos.h
Adding missing friend statement to pair_lj_class2_coul_cut_kokkos
2017-02-02 15:21:30 -07:00
pair_lj_class2_coul_long_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_class2_coul_long_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_class2_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_class2_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_cut_coul_cut_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_cut_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_lj_cut_coul_debye_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_debye_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_lj_cut_coul_dsf_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_dsf_kokkos.h
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
pair_lj_cut_coul_long_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_coul_long_kokkos.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_lj_cut_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_cut_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_expand_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_expand_kokkos.h
Add missing typedef in Kokkos pair styles
2017-02-02 13:24:05 -07:00
pair_lj_gromacs_coul_gromacs_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_gromacs_coul_gromacs_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_gromacs_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_gromacs_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_lj_sdk_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_lj_sdk_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_morse_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_morse_kokkos.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_multi_lucy_rx_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
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
Merge with current master
2019-04-03 19:17:15 +02:00
pair_reaxc_kokkos.h
Update from master
2018-08-03 07:37:18 -06:00
pair_snap_kokkos_impl.h
eliminate the use of the "using" keyword in headers of the KOKKOS package
2019-04-03 00:13:52 -04:00
pair_snap_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
pair_snap_kokkos.h
Fix some issues in new version of pair_snap_kokkos_impl.h
2019-01-18 11:58:10 -07:00
pair_sw_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_sw_kokkos.h
Add data duplication to pair_sw_kokkos
2018-08-10 12:30:17 -06:00
pair_table_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_table_kokkos.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_table_rx_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_table_rx_kokkos.h
Reduce memory churn in pair_table_rx_kokkos
2017-06-08 09:31:51 -06:00
pair_tersoff_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_tersoff_kokkos.h
Add data duplication to pair_tersoff_kokkos and variants
2018-08-10 12:30:03 -06:00
pair_tersoff_mod_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_tersoff_mod_kokkos.h
Add data duplication to pair_tersoff_kokkos and variants
2018-08-10 12:30:03 -06:00
pair_tersoff_zbl_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_tersoff_zbl_kokkos.h
Add data duplication to pair_tersoff_kokkos and variants
2018-08-10 12:30:03 -06:00
pair_vashishta_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_vashishta_kokkos.h
Fix compiler warnings
2018-03-14 13:27:03 -06:00
pair_yukawa_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_yukawa_kokkos.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_zbl_kokkos.cpp
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
pair_zbl_kokkos.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pppm_kokkos.cpp
use ev_init for kspace
2019-03-13 17:55:30 +01:00
pppm_kokkos.h
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
rand_pool_wrap_kokkos.cpp
remove trailing whitespace
2018-03-16 12:37:27 -04:00
rand_pool_wrap_kokkos.h
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
README
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12897 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-08 18:16:47 +00:00
region_block_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
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
sna_kokkos_impl.h
eliminate the use of the "using" keyword in headers of the KOKKOS package
2019-04-03 00:13:52 -04:00
sna_kokkos.h
Fix issue in pair_snap_kokkos memory_usage
2018-01-11 10:01:34 -07:00
verlet_kokkos.cpp
Remove deprecated Kokkos code
2018-11-12 15:49:31 -07:00
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 primaritly by Christian Trott (Sandia) with
contributions of various styles by others, including Sikandar Mashayak
(UIUC).  The underlying Kokkos library was written primarily by Carter
Edwards, Christian Trott, and Dan Sunderland (all Sandia).