Commit Graph

30 Commits

Author SHA1 Message Date
7a78875911 Fix issues in Kokkos pair snap and zbl 2018-01-13 21:31:11 -07:00
2047ae76e3 Move compute_bi outside of j-loop 2018-01-09 17:05:57 -07:00
4adbb882b3 Temper SNAP output 2018-01-09 17:05:34 -07:00
275c08453f Add Kokkos versions of pair_style snap and zbl 2018-01-09 17:03:49 -07:00
d0cc1dfbb8 changes to SNAP virial from Aidan 2017-07-13 11:19:35 -06:00
22fdb1fc14 SNAP changes by Aidan 2017-05-30 10:21:07 -06:00
addd87c0f7 new Section package and start doc pages and build scripts 2017-05-04 11:22:20 -06:00
44841f6891 fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 2017-03-23 15:31:27 -06:00
920641bbff Merge pull request #399 from rbberger/docs_spelling_fixes
Correct spelling errors in documentation
2017-03-07 09:47:22 -07:00
efaa4c6710 new neigh_modify exclude option, other SNAP changes 2017-03-07 09:31:12 -07:00
7dd60f9737 Fix typos in src files 2017-03-05 21:03:40 -05:00
fb3ac9afba Initialize pointers in SNAP and SRD 2016-11-07 20:30:38 +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
9ae8b64f9a Cleaned up sna factorial table
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-05 03:31:39 +00:00
f496b51d56 Changed the factorial table to static member
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14261 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-17 23:10:26 +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
56ee1b670b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-05 15:13:56 +00:00
440ce63ec7 Fixing memory error
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13363 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-01 22:29:49 +00:00
84a5ec39ec 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
4a975dd8cf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:49:20 +00:00
72ac6ea854 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12956 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:43:48 +00:00
aeb7fec23a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-12-02 02:15:39 +00:00
bbdb288175 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12664 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-30 15:29:28 +00:00
7518fae9bc 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
2516600403 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-30 23:20:03 +00:00
ed9b130d6e Added LAMMPS headers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12509 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-12 22:55:05 +00:00
4f3c884aaa Changed optimized default to 1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12454 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 17:12:27 +00:00
e898a2c91b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12448 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-09 14:20:12 +00:00
1a4c75e8e5 Added Axel's changes to the OMP parts
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12446 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-08 18:25:13 +00:00
af21769abe git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-05 23:16:15 +00:00