lammps

commgrid.cpp

Optimizations to kspace_style MSM, including improving the single-core performance and increasing the parallel scalability. A bug in MSM for mixed periodic and non-periodic boundary conditions was also fixed.

2013-03-06 21:12:28 +00:00

commgrid.h

Optimizations to kspace_style MSM, including improving the single-core performance and increasing the parallel scalability. A bug in MSM for mixed periodic and non-periodic boundary conditions was also fixed.

2013-03-06 21:12:28 +00:00

ewald_disp.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10599 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-08-19 19:25:37 +00:00

ewald_disp.h

Merge remote branch 'lammps-ro/master' into lammps-icms

2013-06-30 12:41:18 +02:00

ewald.cpp

Eliminated kmax=0 for triclinic

2013-09-27 19:37:28 +00:00

ewald.h

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

2013-08-21 05:10:12 +02:00

fft3d_wrap.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00

fft3d_wrap.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8679 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-08-17 13:26:41 +00:00

fft3d.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00

fft3d.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9085 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-11-21 16:11:12 +00:00

fix_tune_kspace.cpp

rename LOOP timer to TOTAL and implement timers command

2013-07-25 11:51:54 +02:00

fix_tune_kspace.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10302 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 16:14:44 +00:00

kissfft.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00

msm_cg.cpp

only update the charged particles list after reneighboring

2013-08-03 19:11:44 +02:00

msm_cg.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-03-04 23:09:29 +00:00

msm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10306 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 16:20:57 +00:00

msm.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10282 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-22 23:02:25 +00:00

pair_born_coul_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-27 20:02:55 +00:00

pair_born_coul_long.h

Merge remote branch 'lammps-ro/master' into lammps-icms

2013-03-05 13:25:28 +01:00

pair_born_coul_msm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9878 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-05-13 17:17:58 +00:00

pair_born_coul_msm.h

Adding MSM code.

2012-09-13 20:01:47 +00:00

pair_buck_coul_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-27 20:02:55 +00:00

pair_buck_coul_long.h

Merge remote branch 'lammps-ro/master' into lammps-icms

2013-03-05 13:25:28 +01:00

pair_buck_coul_msm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9878 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-05-13 17:17:58 +00:00

pair_buck_coul_msm.h

Adding MSM code.

2012-09-13 20:01:47 +00:00

pair_buck_long_coul_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-27 20:02:55 +00:00

pair_buck_long_coul_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9687 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-03-14 16:34:11 +00:00

pair_coul_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:18:51 +00:00

pair_coul_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:18:51 +00:00

pair_coul_msm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9878 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-05-13 17:17:58 +00:00

pair_coul_msm.h

Changes to coulomb tables.

2012-10-17 23:27:34 +00:00

pair_lj_charmm_coul_long.cpp

more mostly cosmetic issues found by clang

2013-07-24 23:24:18 +02:00

pair_lj_charmm_coul_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10289 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:16:11 +00:00

pair_lj_charmm_coul_msm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9878 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-05-13 17:17:58 +00:00

pair_lj_charmm_coul_msm.h

Changes to coulomb tables.

2012-10-17 23:27:34 +00:00

pair_lj_cut_coul_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-22 22:54:22 +00:00

pair_lj_cut_coul_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-22 22:54:22 +00:00

pair_lj_cut_coul_msm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9857 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-05-09 20:28:47 +00:00

pair_lj_cut_coul_msm.h

Changes to coulomb tables.

2012-10-17 23:27:34 +00:00

pair_lj_cut_tip4p_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:18:51 +00:00

pair_lj_cut_tip4p_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:18:51 +00:00

pair_lj_long_coul_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-29 21:20:54 +00:00

pair_lj_long_coul_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-29 21:20:54 +00:00

pair_lj_long_tip4p_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10114 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-27 21:44:07 +00:00

pair_lj_long_tip4p_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9701 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-03-21 17:36:09 +00:00

pair_tip4p_long.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10291 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:21:17 +00:00

pair_tip4p_long.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10291 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:21:17 +00:00

pppm_cg.cpp

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

2013-08-21 05:10:12 +02:00

pppm_cg.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9449 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-02-12 15:38:24 +00:00

pppm_disp_tip4p.cpp

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

2013-06-09 14:35:36 +02:00

pppm_disp_tip4p.h

Merge remote branch 'lammps-ro/master' into lammps-icms

2013-03-05 13:25:28 +01:00

pppm_disp.cpp

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

2013-08-21 05:10:12 +02:00

pppm_disp.h

Merge remote branch 'lammps-ro/master' into lammps-icms

2013-06-30 12:41:18 +02:00

pppm_old.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10599 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-08-19 19:25:37 +00:00

pppm_old.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-29 21:20:54 +00:00

pppm_stagger.cpp

permission cleanup

2013-06-28 13:15:10 +02:00

pppm_stagger.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10417 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-26 15:53:40 +00:00

pppm_tip4p_cg.cpp

only update the charged particles list after reneighboring

2013-08-03 19:11:44 +02:00

pppm_tip4p_cg.h

add serial and mt version of pppm/tip4p/cg

2013-08-01 16:33:11 +02:00

pppm_tip4p.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10008 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-01 00:08:35 +00:00

pppm_tip4p.h

Merge branch 'master' into lammps-icms

2013-01-23 07:09:33 -05:00

pppm.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10661 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-08-23 14:29:56 +00:00

pppm.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10599 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-08-19 19:25:37 +00:00

remap_wrap.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00

remap_wrap.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00

remap.cpp

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00

remap.h

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-06-06 22:47:51 +00:00