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lammps/src/KSPACE
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Axel Kohlmeyer fde43d5079 Merge pull request #4143 from hagertnl/hagerty_issue4140_kokkos_collective 
Implement kspace_modify collective yes in KOKKOS package
2024-09-11 00:07:10 -04:00
..
ewald_dipole_spin.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
ewald_dipole_spin.h
update developer reference text
2022-10-24 11:08:26 -04:00
ewald_dipole.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
ewald_dipole.h
update developer reference text
2022-10-24 11:08:26 -04:00
ewald_disp.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
ewald_disp.h
update developer reference text
2022-10-24 11:08:26 -04:00
ewald.cpp
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
ewald.h
update developer reference text
2022-10-24 11:08:26 -04:00
fft3d_wrap.cpp
update the naming convention
2023-12-01 15:12:23 -05:00
fft3d_wrap.h
update the naming convention
2023-12-01 15:12:23 -05:00
fft3d.cpp
kspace: add NVPL FFT support
2024-09-04 12:00:31 -06:00
fft3d.h
kspace: add NVPL FFT support
2024-09-04 12:00:31 -06:00
fix_tune_kspace.cpp
make use of std::swap()
2023-09-18 16:51:19 -04:00
fix_tune_kspace.h
update developer reference text
2022-10-24 11:08:26 -04:00
kissfft.h
update developer reference text
2022-10-24 11:08:26 -04:00
msm_cg.cpp
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
msm_cg.h
update developer reference text
2022-10-24 11:08:26 -04:00
msm.cpp
silence compiler warning
2024-02-06 15:11:31 -05:00
msm.h
merged in current master
2022-11-04 08:22:18 -06:00
pair_born_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_born_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_msm.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_born_coul_msm.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_buck_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_msm.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_coul_msm.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_buck_long_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_buck_long_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_msm.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_msm.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_streitz.cpp
avoid passing uninitialized data
2024-07-18 13:23:20 -04:00
pair_coul_streitz.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_lj_charmm_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_msm.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_msm.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmmfsw_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_lj_charmmfsw_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_lj_cut_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_msm.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_msm.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_tip4p_long.cpp
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
pair_lj_cut_tip4p_long.h
proposed solution
2024-08-08 00:05:20 -04:00
pair_lj_long_coul_long.cpp
some more constant cleanups
2024-02-06 05:13:12 -05:00
pair_lj_long_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_long_tip4p_long.cpp
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
pair_lj_long_tip4p_long.h
refactor lj/long/tip4p/long
2024-08-08 00:19:12 -04:00
pair_tip4p_long.cpp
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
pair_tip4p_long.h
refactor tip4p/long
2024-08-08 00:23:33 -04:00
pppm_cg.cpp
second round of include-what-you-use updates
2024-02-28 15:37:13 -05:00
pppm_cg.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_dipole_spin.cpp
remove unused constants
2024-02-05 20:26:23 -05:00
pppm_dipole_spin.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_dipole.cpp
plug memory leaks
2024-08-02 17:17:23 -04:00
pppm_dipole.h
merged in current master
2022-11-04 08:22:18 -06:00
pppm_disp_tip4p.cpp
remove unused constants
2024-02-05 20:26:23 -05:00
pppm_disp_tip4p.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_disp.cpp
remove unused constants
2024-02-05 20:26:23 -05:00
pppm_disp.h
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
pppm_stagger.cpp
remove unused constants
2024-02-05 20:26:23 -05:00
pppm_stagger.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_tip4p.cpp
remove unused constants
2024-02-05 20:26:23 -05:00
pppm_tip4p.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm.cpp
Changes from @sjplimp
2024-09-10 16:25:06 -06:00
pppm.h
Remove duplicated code in Kokkos PPPM
2023-03-27 16:29:17 -06:00
remap_wrap.cpp
update developer reference text
2022-10-24 11:08:26 -04:00
remap_wrap.h
update developer reference text
2022-10-24 11:08:26 -04:00
remap.cpp
simplified logic from clang-tidy
2023-03-26 21:33:37 -04:00
remap.h
update developer reference text
2022-10-24 11:08:26 -04:00