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lammps/src/KSPACE
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Axel Kohlmeyer 3bf0595078 Increase communication cutoff for TIP4P pair styles, if needed 
This avoids error of H atom not found when the O atom is a ghost.
2022-10-12 16:16:09 -04:00
..
ewald_const.h
move errorfunction complement approximation factor into shared namespace
2022-04-14 16:47:38 -04:00
ewald_dipole_spin.cpp
one more batch of clang-tidy fixes
2022-05-13 23:21:14 -04:00
ewald_dipole_spin.h
clang-format update
2022-04-23 13:08:11 -04:00
ewald_dipole.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
ewald_dipole.h
clang-format update
2022-04-23 13:08:11 -04:00
ewald_disp.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
ewald_disp.h
clang-format update
2022-04-23 13:08:11 -04:00
ewald.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
ewald.h
Merge remote-tracking branch 'lammps/develop' into electrode
2022-04-26 10:29:39 +02:00
fft3d_wrap.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fft3d_wrap.h
clang-format update
2022-04-23 13:08:11 -04:00
fft3d.cpp
modernize MKL FFT interface
2022-05-18 08:42:40 -04:00
fft3d.h
apply clang-format
2022-09-10 03:29:32 -04:00
fix_tune_kspace.cpp
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
fix_tune_kspace.h
clang-format update
2022-04-23 13:08:11 -04:00
kissfft.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
msm_cg.cpp
updates/bug-fixes to parallel fix ttm/grid
2021-08-20 16:57:20 -06:00
msm_cg.h
clang-format update
2022-04-23 13:08:11 -04:00
msm.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
msm.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_long.cpp
update neighborlist requests for new API in KSPACE package
2022-03-09 21:20:18 -05:00
pair_born_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_born_coul_msm.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_born_coul_msm.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_coul_long.cpp
update neighborlist requests for new API in KSPACE package
2022-03-09 21:20:18 -05:00
pair_buck_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_coul_msm.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_buck_coul_msm.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_buck_long_coul_long.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
pair_buck_long_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_long.cpp
update neighborlist requests for new API in KSPACE package
2022-03-09 21:20:18 -05:00
pair_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_msm.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_msm.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_coul_streitz.cpp
improved error messages for duplicate or missing entries in manybody potential files
2022-07-22 12:41:43 -04:00
pair_coul_streitz.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_charmm_coul_long.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
pair_lj_charmm_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_charmm_coul_msm.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_lj_charmm_coul_msm.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_charmmfsw_coul_long.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
pair_lj_charmmfsw_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_long.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
pair_lj_cut_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_coul_msm.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_lj_cut_coul_msm.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_cut_tip4p_long.cpp
Increase communication cutoff for TIP4P pair styles, if needed
2022-10-12 16:16:09 -04:00
pair_lj_cut_tip4p_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_long_coul_long.cpp
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
pair_lj_long_coul_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_lj_long_tip4p_long.cpp
Increase communication cutoff for TIP4P pair styles, if needed
2022-10-12 16:16:09 -04:00
pair_lj_long_tip4p_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pair_tip4p_long.cpp
Increase communication cutoff for TIP4P pair styles, if needed
2022-10-12 16:16:09 -04:00
pair_tip4p_long.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_cg.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
pppm_cg.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_dipole_spin.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_dipole_spin.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_dipole.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
pppm_dipole.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_disp_tip4p.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
pppm_disp_tip4p.h
Fixed TIP4P handling in PPPM slab correction.
2022-05-23 17:28:32 -04:00
pppm_disp.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
pppm_disp.h
Fixed TIP4P handling in PPPM slab correction.
2022-05-23 17:28:32 -04:00
pppm_stagger.cpp
updates/bug-fixes to parallel fix ttm/grid
2021-08-20 16:57:20 -06:00
pppm_stagger.h
clang-format update
2022-04-23 13:08:11 -04:00
pppm_tip4p.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
pppm_tip4p.h
Fixed TIP4P handling in PPPM slab correction.
2022-05-23 17:28:32 -04:00
pppm.cpp
Fix variable definition
2022-10-11 10:10:27 -06:00
pppm.h
consolidate all FFT related redundant defines and typedefs in a single header
2022-05-06 11:27:17 -04:00
remap_wrap.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
remap_wrap.h
clang-format update
2022-04-23 13:08:11 -04:00
remap.cpp
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
remap.h
consolidate all FFT related redundant defines and typedefs in a single header
2022-05-06 11:27:17 -04:00