lammps:64faa6c6679c1b2e980d8ea89e71baa043c5628f commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/64faa6c6679c1b2e980d8ea89e71baa043c5628f 2019-07-09T14:45:48-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/64faa6c6679c1b2e980d8ea89e71baa043c5628f Merge pull request #1553 from athomps/read_dump_xyz 2019-07-09T14:45:48-04:00 Axel Kohlmeyer akohlmey@gmail.com Fixed a few problems with read_dump xyz https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0d15c57fee5c11555877fd30acd12372218766fc Merge pull request #1555 from stanmoore1/kk_neigh 2019-07-09T14:45:23-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix issue in Kokkos neighbor binning when using non-Kokkos lists on GPUs https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5013fd699ffcf5c844b2f34cca10c964bbaf967a Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs 2019-07-09T09:43:50-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7a62717051277ef0e3ff1d04b676444c18e5f1bd Updated USER-MOLFILE 2019-07-08T19:40:31-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/74414afdea0563131122228d4318cbcf950c7dfc Added the boxinfo argument 2019-07-08T17:25:23-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65e281d661190ed8e1255fd31cff4a1d45d7a63d Fixed a few problems with read_dump xyz 2019-07-07T18:00:07-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c00f2adb4282ed2d2ed9803a47e9c5b706cdb865 Merge pull request #1544 from akohlmey/collected-small-fixes 2019-07-05T20:33:55-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and bugfixes for the next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e123b6f02eaa9725be54457c7f29186e3e57098f Merge pull request #1550 from ndtrung81/lj96-fixes 2019-07-05T15:01:19-04:00 Axel Kohlmeyer akohlmey@gmail.com Fixed a bug in lj96/cut/gpu involving missing the special_lj factor https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/46a9772a6d36504587338602b7adfbb2e50c1fa1 Minor clean-up 2019-07-05T12:12:29-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/49f27573a7b1e2efade8be7ef7a7d9c101ab7c5c Fixed a bug in lj96 involving missing the special_lj factor 2019-07-03T23:44:33-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6fc5810bb4d4b0d0042204926bf04d29259db063 with the refactored include handling we can allow include in if/then/else 2019-07-02T01:31:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b727f0b1268039246d4e295839cf3732f4aeb597 Merge pull request #1537 from akohlmey/refactor-input-file-handling 2019-07-01T17:28:15-04:00 Axel Kohlmeyer akohlmey@gmail.com Refactor input file processing flow of control https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/63fa63fb1c9ff5cdb1fc2a5ca3ac28ba5bd6a0fa Merge pull request #1538 from dsbolin/gran_mods 2019-07-01T17:27:55-04:00 Axel Kohlmeyer akohlmey@gmail.com Bug fixes to pair granular https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f7329c0f43d134a8b2f076497853c58caf105d6c Merge pull request #1540 from stanmoore1/kk_snap 2019-07-01T17:27:34-04:00 Axel Kohlmeyer akohlmey@gmail.com Port Recent SNAP changes to Kokkos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7547e1dae621f02e14e8e77bffc6ad3c6300e59e make certain that the vector storage and the size_vector variable are consist... 2019-07-01T17:25:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/559c187964622098a5eaa2e79d970e414eb6fa72 Update SNA::memory_usage() 2019-07-01T08:20:48-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/61a7730bb5a0e999f5e8a02e13559c2a42c4b978 Merge branch 'master' of github.com:lammps/lammps into kk_snap 2019-07-01T08:14:30-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a8d4ac74fa7082badf48a3aea27d981e18f07d53 Remove temporary ulist variable 2019-07-01T08:13:53-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e91539d4b52706bd16c5f22e5e3a8b719aa23bae Cleanup 2019-07-01T08:11:49-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/62bddd47ee99ecbc2f7bee7a5d091e26ba667242 limit number of nested include file levels to 16 2019-07-01T00:01:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/33d3bd7a8d9c73740035d57ad194d2c05cc68146 Merge pull request #1547 from rbberger/docs_fix 2019-06-30T17:15:25-04:00 Axel Kohlmeyer akohlmey@gmail.com Workaround to make formatting of code blocks consistent https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8fdba2ded13a64d35f53ed66e5db4cdd932a82ec Merge pull request #1546 from stanmoore1/kk_update 2019-06-30T17:15:06-04:00 Axel Kohlmeyer akohlmey@gmail.com Update Kokkos library in LAMMPS to v2.9.00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a720aedabcbdcfb0a43cd405407954a8ce84769e Workaround to make formatting of code blocks consistent 2019-06-28T20:54:10-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5e3a705911e057e2188efca2512394e96a46cc04 fix bug caused by a parameter shadowing a class variable 2019-06-28T14:28:45-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ea2e73119da7c6c7633da5073d8cef8ed8e05b5c Update Kokkos library in LAMMPS to v2.9.00 2019-06-28T11:23:24-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5eabc820240604ef4ea3859d054e6c03febc3827 Restore lost changes 2019-06-28T10:17:22-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d918432047743f70a0650713ba7a21f0935d5245 Fix issue with compute_duarray 2019-06-28T09:54:24-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/73968f10d5fc0cc347342c8a681267f27bdc4a33 Merge branch 'kk_snap' of ssh://github.com/stanmoore1/lammps into kk_snap 2019-06-28T09:44:36-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/400af0edac6bba44f41e43186cd72501d07a7e6a Merge branch 'master' of github.com:lammps/lammps into kk_snap 2019-06-28T09:02:07-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/df7c56d88160add5ce3492c1f5b9e757b34ebace use suffix compatible pair style matching when looking for ReaxFF pair style 2019-06-28T05:28:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1e2aeed2acaf19d055445c0eadc8eaac634299cb Remove no-op 2019-06-27T08:53:58-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/60adaa24cb8f19d9effc6da6f1ea6967c736a947 Remove redundant computation 2019-06-27T08:52:34-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7f342b1cd0711c73a5e37797877dd7dc3a74513d Merge pull request #1539 from junghans/fix_include_for_ppc64le 2019-06-27T00:26:33-04:00 Axel Kohlmeyer akohlmey@gmail.com add missing include needed on ppc64le https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2be0fd61802b824363308985f415b40e8fb0e38a Fix GPU issues 2019-06-26T16:22:37-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c3d18520dd40ee990252aff3e9fb1e5f120b9a0 add missing include needed on ppc64le 2019-06-26T10:45:31-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f1dfcaf514948935724df4b0b754adecfca3cf04 WIP 2019-06-25T14:47:21-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e08146c31fa887300dbba54ee01e3f69782440e5 Allow twisting torque to be used without rolling torque in pair granular 2019-06-25T12:06:18-06:00 Dan S. Bolintineanu dsbolin@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8fd1aaba7e13ee85bee1015ff3ec954b887ed116 Merge pull request #1535 from evoyiatzis/class2 2019-06-25T06:00:06-04:00 Axel Kohlmeyer akohlmey@gmail.com Implementation of inner/middle/outer compute methods for lj/class2/coul/long https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/50e76ff7a1369efdb1c6238d0c937d802db10f6f restore virtual keyword and empty lines in comments 2019-06-25T05:59:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/423eebda25f381c0cdd6a9e17815204c3081811c restore header 2019-06-25T05:57:48-04:00 Axel Kohlmeyer akohlmey@gmail.com