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patch_4Feb2020
lammps/src/KOKKOS
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Axel Kohlmeyer 6369ab230e make inclusion guard defines consistent with LAMMPS and avoid redefinition of MAX()
2020-01-30 16:56:02 -05:00
..
angle_charmm_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
angle_charmm_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_class2_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
angle_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
angle_cosine_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
angle_cosine_kokkos.h
Add Kokkos version of angle_cosine
2019-01-28 11:29:28 -07:00
angle_harmonic_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
angle_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
atom_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
atom_kokkos.h
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
atom_vec_angle_kokkos.cpp
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -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
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -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
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -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
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -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
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_dpd_kokkos.h
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
atom_vec_full_kokkos.cpp
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -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
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
atom_vec_hybrid_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
atom_vec_kokkos.cpp
Fix compile error in comm_kokkos and indent in atom_vec_kokkos
2019-03-20 15:08:08 -06:00
atom_vec_kokkos.h
Fix thread safety issue in fused forward comm
2019-03-20 14:32:03 -06:00
atom_vec_molecular_kokkos.cpp
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -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
whitespace cleanup: remove (evil) tabs
2019-11-03 11:01:42 -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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
bond_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_fene_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
bond_fene_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
bond_harmonic_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
bond_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
comm_kokkos.cpp
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
dihedral_charmm_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_class2_kokkos.cpp
Remove the const of costh12, costh13 costh23 in KOKKOS class dihedral
2019-11-26 18:05:06 -05:00
dihedral_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
dihedral_harmonic_kokkos.cpp
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_harmonic_kokkos.h
Add Kokkos verison of dihedral_harmonic
2019-09-09 11:16:31 -06:00
dihedral_opls_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
eliminate the use of the "using" keyword in headers of the KOKKOS package
2019-04-03 00:13:52 -04:00
fft3d_kokkos.cpp
Fix issue with Kokkos FFT_CUFFT
2020-01-30 13:27:36 -07:00
fft3d_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
fftdata_kokkos.h
make inclusion guard defines consistent with LAMMPS and avoid redefinition of MAX()
2020-01-30 16:56:02 -05:00
fix_deform_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_dpd_energy_kokkos.h
member function containing lambdas must be public
2017-01-03 11:50:44 -07:00
fix_enforce2d_kokkos.cpp
Fix mismatches in CUDA execution space qualifiers between declarations and
2019-12-17 17:27:51 -08:00
fix_enforce2d_kokkos.h
Small tweaks to fix_enforce2d_kokkos
2018-07-11 12:39:04 -06:00
fix_eos_table_rx_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
Fixed vfull tally bug in KOKKOS
2019-10-14 19:28:20 -07:00
fix_langevin_kokkos.h
fix misplaced fix_langevin_kokkos
2019-09-14 11:02:42 -07:00
fix_minimize_kokkos.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_minimize_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
fix_momentum_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_momentum_kokkos.h
allow fix momentum angular with CUDA
2016-12-21 08:55:33 -07:00
fix_neigh_history_kokkos.cpp
Fix mismatches in CUDA execution space qualifiers between declarations and
2019-12-17 17:27:51 -08:00
fix_neigh_history_kokkos.h
remove trailing blanks
2018-12-01 21:38:22 -05:00
fix_nh_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
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
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_qeq_reax_kokkos.h
Restore original compute_h in fix_qeq_reax_kokkos
2019-06-07 16:31:31 -06:00
fix_reaxc_bonds_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_rx_kokkos.h
Fix execution space issues
2017-08-25 14:45:47 -06:00
fix_setforce_kokkos.cpp
Merge branch 'master' into improve-include-consistency
2019-07-19 13:26:00 -04:00
fix_setforce_kokkos.h
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
fix_shardlow_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
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
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
fix_wall_reflect_kokkos.h
added examples/threebody, fix reaxc/speceies/kk
2016-11-04 10:56:04 -06:00
gridcomm_kokkos.cpp
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
gridcomm_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
improper_class2_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
improper_class2_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
improper_harmonic_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
improper_harmonic_kokkos.h
Fix issues in Kokkos topology files
2018-05-30 12:31:20 -06:00
Install.sh
Move FFT data types out of kokkos_type.h
2020-01-29 17:15:47 -07:00
kissfft_kokkos.cpp
Code cleanup
2019-06-18 09:43:54 -06:00
kissfft_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
kokkos_base_fft.h
make inclusion guard defines consistent with LAMMPS and avoid redefinition of MAX()
2020-01-30 16:56:02 -05:00
kokkos_base.h
Move FFT data types out of kokkos_type.h
2020-01-29 17:15:47 -07:00
kokkos_few.h
allow constructing Few from array on device
2016-12-21 09:21:11 -07:00
kokkos_type.h
Move FFT data types out of kokkos_type.h
2020-01-29 17:15:47 -07:00
kokkos.cpp
Don't change comm flags when there is only 1 MPI rank
2019-12-10 10:10:12 -07:00
kokkos.h
Add support for HPE MPI to Kokkos package
2019-09-09 10:14:30 -06:00
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
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
min_cg_kokkos.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_cg_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_kokkos.cpp
Fall back to base class function
2019-08-28 09:47:26 -07:00
min_kokkos.h
Fall back to base class function
2019-08-28 09:47:26 -07:00
min_linesearch_kokkos.cpp
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
min_linesearch_kokkos.h
Add Kokkos version of minimize
2019-08-28 09:41:15 -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
Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs
2019-07-09 09:43:50 -06:00
nbin_kokkos.h
first pass at implementing atom2bin for KOKKOS neighbor lists
2017-09-25 14:06:20 -05:00
nbin_ssa_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
nbin_ssa_kokkos.h
consolidate sorting functions
2017-03-06 15:28:25 -07:00
neigh_bond_kokkos.cpp
Don't reallocate views every time in neigh_bond_kokkos
2019-05-24 11:27:09 -06:00
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
Update comment
2019-07-10 17:01:46 -06:00
neigh_list_kokkos.h
Fix compile error with CUDA
2018-03-22 12:28:21 -06:00
neighbor_kokkos.cpp
Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs
2019-07-09 09:43:50 -06:00
neighbor_kokkos.h
Change default binsize for Kokkos if running on GPUs
2019-03-12 15:33:28 -06:00
npair_copy_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
Fix mismatches in CUDA execution space qualifiers between declarations and
2019-12-17 17:27:51 -08:00
npair_kokkos.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
npair_skip_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -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
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
pack_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
pair_buck_coul_cut_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_buck_kokkos.h
add C++ format identifiers to .h files
2017-06-20 16:18:34 -04:00
pair_coul_cut_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_eam_alloy_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_eam_fs_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_eam_fs_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_eam_kokkos.cpp
disable single function for KOKKOS eam styles, since the required data is not available
2019-11-15 19:48:58 -05:00
pair_eam_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_exp6_rx_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_exp6_rx_kokkos.h
Rename Kokkos variables
2019-06-07 16:30:02 -06:00
pair_gran_hooke_history_kokkos.cpp
whitespace cleanup: remove (evil) tabs
2019-11-03 11:01:42 -05:00
pair_gran_hooke_history_kokkos.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
pair_hybrid_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -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
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_lj_cut_coul_long_kokkos.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_lj_cut_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_lj_sdk_kokkos.h
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
pair_morse_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_morse_kokkos.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_multi_lucy_rx_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_reaxc_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_snap_kokkos_impl.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
pair_snap_kokkos.cpp
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
pair_snap_kokkos.h
Collapse loop in compute_zi
2019-09-26 11:44:12 -06:00
pair_sw_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_sw_kokkos.h
Add data duplication to pair_sw_kokkos
2018-08-10 12:30:17 -06:00
pair_table_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_tersoff_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_tersoff_mod_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_tersoff_mod_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_tersoff_zbl_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_tersoff_zbl_kokkos.h
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
pair_vashishta_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_vashishta_kokkos.h
Fix compiler warnings
2018-03-14 13:27:03 -06:00
pair_yukawa_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_yukawa_kokkos.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_zbl_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
pair_zbl_kokkos.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pppm_kokkos.cpp
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
pppm_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
rand_pool_wrap_kokkos.cpp
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
rand_pool_wrap_kokkos.h
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
README
fix typo, update maintainer.
2020-01-22 17:00:10 -05:00
region_block_kokkos.cpp
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
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
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
remap_kokkos.h
More Kokkos FFT refactor
2020-01-30 12:04:57 -07:00
sna_kokkos_impl.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
sna_kokkos.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
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).