Commit Graph

53 Commits

Author SHA1 Message Date
b34dac41c2 port documentation spelling fixes to comments or strings in source code. 2018-11-19 16:15:24 -05:00
2f52eee6bf kspace refactor compiles for KSPACE and USER-OMP 2018-10-19 15:11:37 -04:00
9090fd0255 propagate the kspace change to a the first few kspace styles 2018-10-18 16:31:17 -04:00
4b2629d8ba recompile/recompute/reinit -> re-compile/re-compute/re-init 2018-08-22 22:18:16 -04:00
5670dc5e6e replace variable length array in msm with new/delete 2018-05-04 18:09:25 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
a5c6104d64 Initialize pointers in KSPACE 2016-11-07 16:54:59 +01:00
876b033ea8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:33:07 +00:00
0939eb1ee9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 22:30:45 +00:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
8a10c55a3b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 19:39:28 +00:00
4e8c2824e3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13135 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-19 23:38:45 +00:00
1eb5be1591 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 22:14:11 +00:00
21ac09ad9c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:17:02 +00:00
f350cc4ec7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-20 21:17:46 +00:00
166a9c5bc7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 23:03:23 +00:00
b74fcc80ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-25 16:49:25 +00:00
4ea728dc80 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-25 16:01:17 +00:00
c1e12f9508 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-08 17:55:44 +00:00
9026afed5c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-08 14:25:15 +00:00
65a76deb45 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 20:13:44 +00:00
6c06a66ae7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-13 15:23:13 +00:00
8bee4ef596 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 21:49:36 +00:00
c0fbdbefaa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11756 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-09 16:50:23 +00:00
d54bd651a3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-19 19:00:18 +00:00
f1e2227ed1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11584 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-04 16:45:44 +00:00
3f3e996939 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11389 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 17:42:09 +00:00
4b21fc7c81 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
366484eb34 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10284 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:02:51 +00:00
2135141fe9 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
580bffefea git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10273 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:27:57 +00:00
f37ae6cb74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 19:06:37 +00:00
849a767dc6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10027 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-05 14:30:38 +00:00
c886f137b0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10011 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-04 15:10:14 +00:00
6c5bf6c71a 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
07b41bfb6e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9848 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-08 21:12:15 +00:00
7018102f9f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-08 21:08:55 +00:00
bfdbe3ab87 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9846 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-08 20:48:19 +00:00
ed72c6c5ae 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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9597 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-06 21:12:28 +00:00
a5c6bfb1c5 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
c7de837724 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9281 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-17 16:01:06 +00:00
1fbdf60757 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9265 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-11 23:40:03 +00:00
e66eccef5f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9258 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-10 18:38:38 +00:00
18c211af65 Updating MSM code to reflect changes allowing non-periodic boundaries.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9247 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-08 17:48:28 +00:00
05db562cb2 Better MSM parallelization.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9142 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-12-05 22:49:15 +00:00
fd4f2472af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8971 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-16 18:50:35 +00:00
506f99afab Adding an improved error estimator for MSM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8930 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-10 00:15:14 +00:00
9f8c6721d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-02 20:11:55 +00:00
334c90fc21 Small bug fix for MSM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8859 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 19:51:15 +00:00
4ee654c18e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8856 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-02 16:54:57 +00:00