lammps:b0b340051c78f2bc7fe71b400153cd1a0ff55969 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/b0b340051c78f2bc7fe71b400153cd1a0ff55969 2019-09-19T11:46:08-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b0b340051c78f2bc7fe71b400153cd1a0ff55969 Merge pull request #1684 from akohlmey/cxx-11-test 2019-09-19T11:46:08-04:00 Axel Kohlmeyer akohlmey@gmail.com Implement test for C++11 and document it https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ed6dd1a6325b9f29c1459c8517c12a2a9b08479a Merge pull request #1666 from tanmoy7989/local_density 2019-09-19T11:45:46-04:00 Axel Kohlmeyer akohlmey@gmail.com added LD potential and wrote html-style doc https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d4dbc32ba2490ed7165da9faa02c790410cf1dda Merge pull request #1672 from akohlmey/dump-with-unit 2019-09-19T10:31:13-04:00 Axel Kohlmeyer akohlmey@gmail.com Add ITEM: UNITS line to native text format dumps https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eab66f27fd51c5dd0cdbc0ae0fadbc71db5108b9 Merge pull request #1681 from akohlmey/collected-small-fixes 2019-09-19T10:27:54-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c26c8aca4fd953c74bf1621f4362c03936b6f898 get rid of (evil) tabs and trailing whitespace in bundled Pizza.py components 2019-09-19T07:34:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b049b59015d12a7f45239cf814145698c97c04f9 revised documentation and added a citation trigger in .cpp file 2019-09-19T00:25:22-07:00 tanmoy.7989 tanmoy.7989@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5dba4b66c8964a362d7944e461eda820743ba605 add warning banner to the LAMMPS output and refer to the C++11 issue on github 2019-09-18T16:56:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2ea11b3195ece92f1ca1f4cea395cd90c31e5e87 implement test for C++11 and document it 2019-09-18T15:50:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/df3fad3b491d8ba9d1c596890b39003d5eb2b682 output number of processors when reporting a mismatch on reading a restart 2019-09-18T14:35:12-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/572235e66aa64dc4c7956e4589a65ef295bc8f81 Merge pull request #1660 from tanmoy7989/reorder_remd_traj 2019-09-17T17:29:50-04:00 Axel Kohlmeyer akohlmey@gmail.com python tool to reorder replica traj https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/28b634f20d28a33467c1288afea3af4ec3245586 some more whitespace cleanup 2019-09-17T16:10:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fd63b08f99e05d8c6b8816eef2e266aba4fbfd0a Merge branch 'reorder_remd_traj' of github.com:tanmoy7989/lammps into reorder... 2019-09-17T16:09:13-04:00 Axel Kohlmeyer akohlmey@gmail.com # Conflicts: # tools/replica/reorder_remd_traj.py https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/636a8aaef99dd8554b0a269c81a50a2b2a5b7842 whitespace cleanup, mention pip install --user 2019-09-17T16:06:12-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d4d5f241ebe1e49bbb2c3ae16dbc9fc217b2a75c use improper style fourier instead of non-existing style opls 2019-09-17T14:48:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8ff6122560d2e6f83035cd6b3dbd70f82c86f348 correct documentation of improper style fourier 2019-09-17T14:48:11-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7f037b6c3053d36ba51c2426a1f006abbf7be083 some more whitespace cleanup 2019-09-17T12:05:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/27f9ae1017003ff19a074ef33e4bbc387997c278 evil tab removal 2019-09-17T08:37:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0c9697a68537d431116fb8b57caf4bcbfc947c01 documentation whitespace cleanup 2019-09-17T08:35:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b2c6244b793ff95fcc160457c6e39f9160e89a10 fix typos 2019-09-17T08:24:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fb7a439cd23382d4106d7c7a32a6184b31771ac0 Merge pull request #1662 from akohlmey/hybrid-svector-fix 2019-09-17T08:21:15-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix bugs in handling of local pair property computes with hybrid pair styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e4f1d1cb8e088a61e2b04bfd7b959275193f1cf replace tabs 2019-09-17T08:02:30-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f81c1aae26c386f1af106722a54b72ea81859549 Merge branch 'master' into hybrid-svector-fix 2019-09-16T22:28:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/357ca4605c8d561b4ca3086b7fd1ef9360809555 Merge pull request #1677 from athomps/update-steinhardt-example 2019-09-16T21:11:55-04:00 Axel Kohlmeyer akohlmey@gmail.com Added log files and updated README https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e51e25882b3feb32f433e65402314dae0bf0662c Merge branch 'master' to clear KOKKOS CI failures 2019-09-16T16:39:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d357259cc495380eceee4c27f897066f2a492b86 Merge pull request #1669 from stanmoore1/kk_ports 2019-09-16T16:35:55-04:00 Axel Kohlmeyer akohlmey@gmail.com Port misc files to Kokkos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/790d7d9fae8c6cc6e9bb4ad54953550a769df608 Added log files and updated README 2019-09-13T15:59:25-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c37d00117886a2b240551d497e8d0d9709d12db9 fix stupid typo 2019-09-13T16:13:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c1e7294b4237906a60f852eca3aeba7437abb290 Merge branch 'master' into kk_ports 2019-09-13T12:30:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e8f94447f73de7d623e87432f25c8224fbd07743 Merge branch 'master' into hybrid-svector-fix 2019-09-13T12:28:45-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d62ef0df82d3848e6bb8056fe9cb18151b5f44fc add omitted cmake entries for recent KOKKOS package changes 2019-09-13T12:26:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4593e159efaee27ea6a8be67914762ca54e9c789 update docs to indicate KOKKOS support for dihedral style harmonic 2019-09-13T12:25:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5a07db8465ecc0058ed5686212d033c379a9c374 tweak docs for dump_modify units command some more 2019-09-13T12:07:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0a176d48d8c0b96ffa2425cd8d8b584c6c747f17 clarify that each created file will have the ITEM: UNITS lines 2019-09-13T11:59:55-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ca301f040b838fa79ab30137e5014951cbf4c610 add missing include for compiling with intel compilers without TBB 2019-09-13T09:47:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/548fd40e9a44abe483a147483f55500309031981 make certain that nvalues class member is initialized 2019-09-13T09:15:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7386956dc5b3275339f6d13515a4ea63fe450e46 remove misspelled word from false positives list 2019-09-13T08:52:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/be0587eab57303e98ada1c9ad89194a88e67a2ca Merge pull request #1670 from akohlmey/fix-rigid-nh-no-extended 2019-09-13T08:04:16-04:00 Axel Kohlmeyer akohlmey@gmail.com Consolidate constants and enumerators across rigid fix styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f9decadf8a44a4c2e4138871531657de7d3e9be fix typo 2019-09-13T08:03:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/be38ef0eb09a9156a85afb014ed1268610685076 make native dump reader compatible with dump files containing ITEM: UNITS 2019-09-12T15:26:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0c52a7ed7067e8271397d2f7587709ae9cb7ca6f update documentation 2019-09-12T15:23:15-04:00 Axel Kohlmeyer akohlmey@gmail.com