lammps:0ba38aa072b556e19d5c772ea8c3999e08b78bbb commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/0ba38aa072b556e19d5c772ea8c3999e08b78bbb 2019-06-02T12:05:01-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0ba38aa072b556e19d5c772ea8c3999e08b78bbb bond/react doc tweak 2019-06-02T12:05:01-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2e63280f87fab9367b056148d97834d163c7bd06 Update fix_bond_react.txt 2019-06-02T11:54:31-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/68eab23cf8e37bd949fa5d05860cf479931afd57 bond/react: doc clarification 2019-06-01T16:24:37-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/972a7a5c4dced1f697ddaecae90e13102f58210f add false positive for spell checking 2019-05-31T05:58:47-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/311aebf7ff0c5e4272357b3500a2d87fcf88ba31 Update Errors_warnings.txt 2019-05-30T23:30:35-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/16a254f6bd89bda076858c6116f1fd50c6cc6de0 Update Errors_messages.txt 2019-05-30T23:29:43-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/80d906d44571ef3652d4735ae32ac7eca9d3a121 bond/react: update error messages 2019-05-30T23:27:23-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3e5a962b01c03d070f9e749b40837420d49bbd7 bond/react memory: correctly delete internal groups 2019-05-28T21:40:01-06:00 jrgissing jrgiss05@gmail.com internally-created groups should be deleted when unfixing bond/react groups should not be deleted when LAMMPS exits (because they already have been) https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e133c60ff5bfd4e7d356f7fc1af1621a7e1cd4aa bond/react docs: better English 2019-05-26T20:28:28-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/97be57be7bafebe04fbad284665a097132631b5a additional topology overflow check for reactions 2019-05-26T15:53:49-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5523c9e7f614a6ee10191714e2da1ab152c5dd59 Merge pull request #48 from lammps/master 2019-05-26T15:42:13-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cfad0634ac0f0ebd91d5998388287f6393ab3ea0 Merge pull request #1465 from akohlmey/collected-minor-changes 2019-05-21T16:55:19-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and bugfixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bd05228c71f31007f05ffb291d2465ae603fda22 Merge pull request #1464 from akohlmey/group-group-coord-num 2019-05-21T16:55:05-04:00 Axel Kohlmeyer akohlmey@gmail.com Add option to restrict coordination number by group https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0f1e4b0504b660e394e4b9dca60b2c29445b9cdd Merge pull request #1467 from stanmoore1/eam_kk 2019-05-21T16:54:51-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix bug in pair_style eam/alloy/kk and pair_style eam/fs/kk https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d0c6484fb0daf67ecc8c193779a1e77e00363e8a add false positive 2019-05-20T15:15:51-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0349e9fee9edb4a3261c0153b5855dda31637ba9 update/correct list of example folders 2019-05-20T15:08:33-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/55116db8fb7778a5aad782dccbf1e51f6416a8d5 avoid segfault and print more meaningful error message with empty lines in co... 2019-05-20T14:15:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/10419345682dfdf224c3cf8833a2ae3a346b7f9f Fix bug in pair_eam_alloy_kokkos and pair_eam_fs_kokkos 2019-05-20T10:01:40-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/50082c287d181b6b34165a9a9542ef80e8a90471 sphinxcontrib-spelling has been updated for Sphinx 2.x. remove enforcing to u... 2019-05-18T15:41:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3823a521c6b5d260399b4fd1e93478a9b96190f remove leftover references to removed MEAM package 2019-05-18T15:36:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/35bb2ac2a30095e9a3e621cf21fb898ed9742535 fix typo 2019-05-18T09:25:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c7eb9a86262b1553a10cddef98982580f9b31b82 there really isn't a problem with calling this compute multiple times 2019-05-17T15:26:35-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fb8d31422d2a41f596489e088b753610d4a8c8b2 fix typo 2019-05-16T09:06:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/27a2d0cbd4eaef91226d73fb697d24532dc4c039 add option to restrict coordination number by group 2019-05-16T08:55:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7b264d35fa7eadffafcbe9a22e67977d733c38b8 remove dead code 2019-05-15T14:53:51-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/267782d68936ce44e2afefa1efa33f03b08db35b Merge pull request #1459 from akohlmey/next-patch-release 2019-05-14T21:30:28-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f2b293d93b57fda7740897e44be8ef73c2ba8e9e Merge pull request #1460 from akohlmey/collected-small-changes 2019-05-14T17:55:36-04:00 Axel Kohlmeyer akohlmey@gmail.com Some more small changes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6e842ba84a8ec87ddfaa10b407d662186dd98693 fix typo 2019-05-14T17:36:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/30dc7f70b5a849f2aafd92c79df9329bc592ea14 correct repeated words in docs 2019-05-14T17:13:46-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/98702cc0b9fde12add58cd054b32b261c670aadd Merge pull request #1461 from lammps/doc-tweak-hyper 2019-05-14T17:10:23-04:00 Axel Kohlmeyer akohlmey@gmail.com add missing formatting info https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/67532684f9d3b8b3cb642bc812ad8ecc6f1d7019 add missing formatting info 2019-05-14T14:02:54-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2c51511325f0486955ae2e9eb31b074543e7cce3 update logfiles for SPIN package with cubic anisotropy 2019-05-14T15:49:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1d5ada136a8021c34f2aad7223f394a1b49b2ac1 should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *' 2019-05-14T15:24:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4a4dcef7b73f2f6892c2557004969f0eb11d7202 whitespace cleanup in pair style e3b 2019-05-14T15:24:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4dc90b367ecf596f7ccbcb9d341fef0615610069 Merge pull request #1458 from wmbrownIntel/user-intel-bigbig 2019-05-14T15:09:06-04:00 Axel Kohlmeyer akohlmey@gmail.com USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/091dbfa2653f0521265fb0ace01e627fb6a6cdc1 Merge pull request #1457 from julient31/fix_cubic_aniso 2019-05-14T15:08:21-04:00 Axel Kohlmeyer akohlmey@gmail.com Adding a cubic anisotropy in the SPIN package, documentation corrections https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a26dc1b356e914ed185e3a24316481c945de1578 allow using -DLAMMPS_BIGBIG also with CMake 2019-05-14T14:35:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d8fb17e2cb2f53a295f4c7f9f074c723405574ac Step version string for next patch release 2019-05-14T10:01:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/322c244becf02b8daf020636a9521ecb4a82b4a0 Merge pull request #1456 from akohlmey/fix-mapping-for-KC-etc 2019-05-13T21:12:58-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix element mapping and a few other issues for interlayer potentials https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/60f6c3f3dc05909c4c2ac09a8478d7770f7086e5 Merge pull request #1428 from sstrong99/e3b 2019-05-13T21:12:26-04:00 Axel Kohlmeyer akohlmey@gmail.com add E3B water model to USER-MISC package