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lammps/src/KSPACE
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Axel Kohlmeyer b936673935 consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -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
error explanations for net charge warning err_0029
2025-03-03 10:59:23 -07:00
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
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
msm_cg.h
update developer reference text
2022-10-24 11:08:26 -04:00
msm.cpp
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
msm.h
merged in current master
2022-11-04 08:22:18 -06:00
pair_born_coul_long.cpp
also print pair coeff setflag status when not all pair coeffs are set
2025-03-15 21:16:07 -04:00
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
also print pair coeff setflag status when not all pair coeffs are set
2025-03-15 21:16:07 -04:00
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
also print pair coeff setflag status when not all pair coeffs are set
2025-03-15 21:16:07 -04:00
pair_buck_long_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_coul_long.cpp
update all simple coeff messages
2025-02-03 12:13:52 -07:00
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
also print pair coeff setflag status when not all pair coeffs are set
2025-03-15 21:16:07 -04:00
pair_coul_streitz.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_charmm_coul_long.cpp
update all simple coeff messages
2025-02-03 12:13:52 -07:00
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
update all simple coeff messages
2025-02-03 12:13:52 -07:00
pair_lj_charmmfsw_coul_long.h
update developer reference text
2022-10-24 11:08:26 -04:00
pair_lj_cut_coul_long.cpp
update all simple coeff messages
2025-02-03 12:13:52 -07:00
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
update all simple coeff messages
2025-02-03 12:13:52 -07:00
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
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
pppm_cg.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_dipole_spin.cpp
consolidate kspace communication enumerators in kspace.h
2024-10-10 05:35:01 -04:00
pppm_dipole_spin.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_dipole.cpp
consolidate kspace communication enumerators in kspace.h
2024-10-10 05:35:01 -04:00
pppm_dipole.h
merged in current master
2022-11-04 08:22:18 -06:00
pppm_disp_tip4p.cpp
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
pppm_disp_tip4p.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_disp.cpp
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
pppm_disp.h
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
pppm_stagger.cpp
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
pppm_stagger.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm_tip4p.cpp
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
pppm_tip4p.h
update developer reference text
2022-10-24 11:08:26 -04:00
pppm.cpp
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
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