Commit Graph

9229 Commits

Author SHA1 Message Date
stamoor afd2f6bde8 Fixing small bug in run-style verlet split
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 15:54:23 +00:00
stamoor 721b312498 Fixing small bug in Kokkos pair styles with long-range Coulombics
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13496 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 15:51:02 +00:00
sjplimp 48445741dd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13494 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-26 17:33:25 +00:00
athomps 12b5742f6c Updated to new QUIP directory structure
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13493 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-06-23 23:18:51 +00:00
sjplimp e223ffe74b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13490 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-12 16:58:04 +00:00
sjplimp 5a723510dc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13489 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-09 15:22:07 +00:00
sjplimp 9a72a59b69 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-08 23:55:40 +00:00
sjplimp 547f570904 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-04 14:32:54 +00:00
sjplimp 43d738e168 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-21 19:10:38 +00:00
sjplimp 9d8ec277cb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13483 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-19 19:13:31 +00:00
athomps f110488db0 Added inside_nonperiodic()
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13482 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 21:08:06 +00:00
athomps d9be5d7d63 Switched some inside() checks to inside_nonperiodic() checks
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 21:06:56 +00:00
athomps b2b721f5fb Updated full_energy description
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 16:10:20 +00:00
athomps bff094784d Added error message to list
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13479 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 16:04:42 +00:00
athomps 26c09979f3 Added inside box check for fix_gcmc moves
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13477 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 23:09:00 +00:00
athomps aef75ace77 Added inside box check for fix_gcmc moves
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 22:41:51 +00:00
sjplimp 410549ec46 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13475 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:57:28 +00:00
sjplimp fcbf8275eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13473 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:47:19 +00:00
sjplimp 7c5320e342 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13472 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:47:16 +00:00
sjplimp 07f62aea1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13471 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:36:25 +00:00
sjplimp 723da5079a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13470 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:27:25 +00:00
sjplimp 8177dd7612 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13469 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 17:25:41 +00:00
sjplimp b206e23b33 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13468 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 17:23:18 +00:00
sjplimp 6106843d57 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:51:23 +00:00
sjplimp 1bdd915a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13466 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:50:58 +00:00
sjplimp a32bfebe88 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13465 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:47:14 +00:00
sjplimp c3fd41010d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:33:17 +00:00
sjplimp 2284dcc452 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13463 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:32:34 +00:00
sjplimp 29746678ff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13461 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:28:12 +00:00
sjplimp 09581bb143 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-14 14:42:02 +00:00
athomps d2f90c7e0c Added intra_energy keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13459 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-11 23:16:44 +00:00
athomps 1f21a5dcc4 Added intra_energy keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-11 23:15:26 +00:00
athomps 720490cfa4 Added group keywords to fix gcmc, fixed destructor
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13457 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-11 22:16:34 +00:00
athomps 0c0441b870 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 19:59:58 +00:00
athomps 4dff676396 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13454 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 17:28:15 +00:00
athomps 5779fc4097 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 17:21:20 +00:00
athomps 73a87e7923 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 15:55:29 +00:00
sjplimp 682950268b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 17:36:33 +00:00
sjplimp 606e831528 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13449 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 17:36:31 +00:00
sjplimp 45b935ead3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13448 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 17:33:34 +00:00
sjplimp 8d99bf4779 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13447 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 14:31:11 +00:00
sjplimp b568417708 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13446 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 14:10:42 +00:00
sjplimp c676c2d560 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13445 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 14:10:18 +00:00
sjplimp f539e43b22 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13444 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 14:09:42 +00:00
sjplimp 71df48bd6a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13443 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-30 14:09:30 +00:00
athomps fa0f5d0155 Made formulas even more obvious
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13442 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-28 16:54:24 +00:00
athomps 189e6df16e Made formulas a little more obvious
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13441 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-28 15:36:09 +00:00
sjplimp 6ec03732d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13440 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-28 14:16:50 +00:00
sjplimp 62b14981d7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13438 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-28 14:11:04 +00:00
sjplimp b665182eb5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13437 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-28 14:11:01 +00:00