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lammps/src/KSPACE
History
Evangelos Voyiatzis b622416417 Extent extract method of PairBuckCoulMSM
2021-02-28 11:21:38 +01:00
..
ewald_dipole_spin.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
ewald_dipole_spin.h
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
ewald_dipole.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
ewald_dipole.h
some more whitespace cleanup
2019-09-17 12:05:04 -04:00
ewald_disp.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
ewald_disp.h
convert ewald disp to use MathExtra and copy features from math_complex.h and math_vector.h not available
2021-01-15 17:52:10 -05:00
ewald.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
ewald.h
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
fft3d_wrap.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fft3d_wrap.h
flip sign within FFT3d itself
2020-12-15 16:08:32 -07:00
fft3d.cpp
remove trailing whitespace
2021-01-08 12:26:04 -05:00
fft3d.h
properly support threaded FFTs with MKL and document it. remove commented out FFTW2 code
2020-01-27 11:00:57 -05:00
fix_tune_kspace.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_tune_kspace.h
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
gridcomm.cpp
remove trailing whitespace
2021-01-08 12:26:04 -05:00
gridcomm.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
kissfft.h
T2345: Replace instances of NULL with nullptr
2020-09-12 09:34:38 -06:00
msm_cg.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
msm_cg.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
msm.cpp
initialize arrays for per-level gridcomm buffers to NULL
2021-02-09 13:21:04 -05:00
msm.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
pair_born_coul_long.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_born_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_born_coul_msm.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_born_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_buck_coul_long.cpp
Extent extract method of BuckCoulLong
2021-02-28 11:20:31 +01:00
pair_buck_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-27 13:41:29 +00:00
pair_buck_coul_msm.cpp
Extent extract method of PairBuckCoulMSM
2021-02-28 11:21:38 +01:00
pair_buck_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_buck_long_coul_long.cpp
replace use of math_vector.h with math_extra.h in some more pair styles
2021-01-15 17:25:44 -05:00
pair_buck_long_coul_long.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_coul_long.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_coul_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-27 13:41:29 +00:00
pair_coul_msm.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_coul_msm.h
change '){' tp ') {'
2021-01-05 15:45:52 -05:00
pair_lj_charmm_coul_long.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_charmm_coul_long.h
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
pair_lj_charmm_coul_msm.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_charmm_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_charmmfsw_coul_long.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_charmmfsw_coul_long.h
more whitespace cleanup
2018-03-15 22:02:02 -04:00
pair_lj_cut_coul_long.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_cut_coul_long.h
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
pair_lj_cut_coul_msm.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_cut_coul_msm.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
pair_lj_cut_tip4p_long.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
pair_lj_cut_tip4p_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pair_lj_long_coul_long.cpp
replace use of math_vector.h with math_extra.h in some more pair styles
2021-01-15 17:25:44 -05:00
pair_lj_long_coul_long.h
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
pair_lj_long_tip4p_long.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
pair_lj_long_tip4p_long.h
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
pair_tip4p_long.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
pair_tip4p_long.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
pppm_cg.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
pppm_cg.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_dipole_spin.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pppm_dipole_spin.h
changes to more PPPM variants for tiled support
2020-08-12 14:25:28 -06:00
pppm_dipole.cpp
Merge branch 'master' into thermo-energy
2021-02-08 15:24:29 -05:00
pppm_dipole.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
pppm_disp_tip4p.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pppm_disp_tip4p.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm_disp.cpp
Merge branch 'master' into collected-small-changes
2021-02-08 22:46:21 -05:00
pppm_disp.h
remove trailing whitespace
2021-01-08 12:26:04 -05:00
pppm_stagger.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pppm_stagger.h
changes to more PPPM variants for tiled support
2020-08-12 14:25:28 -06:00
pppm_tip4p.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pppm_tip4p.h
kspace refactor compiles for KSPACE and USER-OMP
2018-10-19 15:11:37 -04:00
pppm.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
pppm.h
major whitespace cleanup
2020-08-19 18:46:35 -04:00
remap_wrap.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
remap_wrap.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-14 22:28:09 +00:00
remap.cpp
avoid overflows when computing memory offsets and allocating memory
2021-02-06 18:14:27 -05:00
remap.h
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-14 22:28:09 +00:00