lammps:a89246fbfc50a6d0405a5c48a28ce534769f448c commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/a89246fbfc50a6d0405a5c48a28ce534769f448c 2017-03-10T20:56:40-05:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a89246fbfc50a6d0405a5c48a28ce534769f448c Merge branch 'master' into coulomb-refactoring 2017-03-10T20:56:40-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f871ecdc67dbcdc10f0ffa07c407a965e2465a19 change to RCB cuts in load-balancing commands, also a new option for fix halt 2017-03-10T15:55:07-07:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/470353e3208021f924a728d7f84860b2c5a73e2d Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10 2017-03-10T14:51:16-07:00 sjplimp sjplimp@sandia.gov Colvars update 2017-03-10 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ffe02d20ca83db2f1484cdcae19bcc4555de4db1 Merge pull request #406 from stanmoore1/kokkos_bugfix 2017-03-10T14:51:04-07:00 sjplimp sjplimp@sandia.gov Fix Kokkos issues https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f70752c18f8d97a0e56a5400ecf45d093ab3a153 Include PDF of Colvars doc missing in previous commit 2017-03-10T15:58:35-05:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/07fcfd6d54a1672094e6a7c49c9a6ec55832e473 Merge pull request #405 from stanmoore1/ev_setup_kk 2017-03-10T11:01:51-07:00 sjplimp sjplimp@sandia.gov Add alloc flag to ev_setup https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c97feafca6aca2534ba9c0e6839db3f7b4b79f0b Merge pull request #407 from frobnitzem/master 2017-03-10T11:00:30-07:00 sjplimp sjplimp@sandia.gov Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b20d95d495489da11d4172bf8f5eddf1a601b4af Merge pull request #402 from timattox/USER-DPD_spelling 2017-03-10T10:59:43-07:00 sjplimp sjplimp@sandia.gov Fix spelling "correction" from <a href="/git/11930499/lammps/-/commit/3a054d1a82b200998de97e0a6b22ff59f7ae6630" title="Fix more typos in src files" class="gfm gfm-commit has-tooltip" data-original="3a054d1a" data-link="false" data-link-reference="false" data-commit="3a054d1a82b200998de97e0a6b22ff59f7ae6630" data-project="218" data-container="body" data-placement="top" data-reference-type="commit">3a054d1a</a>: iterations not interactions and imd_writen not imd_written https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0b4adaa9e6a18141487d2532b339096d470f2fdc Backport typo fixes that were not previously pushed to the Colvars repository 2017-03-10T09:24:46-05:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5fe62066381334174990afce7c173d8c559d3059 Update Colvars module to version 2017-03-10 2017-03-10T09:16:58-05:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65964f3b31ea1521fd202f363d478e190e7f66a4 Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp 2017-03-09T16:49:07-05:00 David M. Rogers predictivestatmech@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b28b84d444a4f55a6a9209060a26ab3b1df30d97 Fix half from full nlist issue with Kokkos 2017-03-09T14:00:27-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a001a5ceb0c446e10e5ba1cb8fd12785c44b5888 Fixing memory overflow issue in comm_kokkos 2017-03-09T12:20:49-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2ef713ea1b49040e88e7cf536464d2fe1a6ebfd1 restore incorrect change due to spell checking in fix imd 2017-03-08T16:40:16-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f6c1942b37e31dbcebe96d401e4ee35b39a57d8 Disable allocation of per-atom arrays in ev_setup for Kokkos styles 2017-03-08T12:42:44-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/683023d8203f2c34bf7ec8d685bd7ab0f017b4f8 Adding alloc flag to ev_setup 2017-03-08T12:36:23-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42d3a8f4982d75ae135185d7123eaf57237baaf6 Fix spelling "correction" from 3a054d1a: iterations not interactions. :-) 2017-03-07T15:41:06-05:00 Tim Mattox timothy.mattox@engilitycorp.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f739a94eeb90029e79f0328594f2f36f20517362 Merge branch 'master' into coulomb-refactoring 2017-03-07T14:31:19-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/79b005dc3d5f26e643c1e768ebb59ab83473d304 patch 7Mar17 2017-03-07T11:40:07-07:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a2fa6ef4524cda4d3e3268523bd35ab0c872ff62 Merge pull request #393 from akohlmey/small-bugfixes 2017-03-07T09:56:03-07:00 sjplimp sjplimp@sandia.gov Small bugfixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/920641bbffbc4b87f94715504fa55dd7e7339c98 Merge pull request #399 from rbberger/docs_spelling_fixes 2017-03-07T09:47:22-07:00 sjplimp sjplimp@sandia.gov Correct spelling errors in documentation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c2aabdec229c2dcb3ad50a9b24c9c0c5e925adf0 Merge pull request #398 from stanmoore1/kokkos_changes 2017-03-07T09:46:54-07:00 sjplimp sjplimp@sandia.gov Kokkos changes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e4aa735a6809b8b0eef2fb6367e4d6b6d45f161d Merge pull request #395 from timattox/USER-DPD_bugfix 2017-03-07T09:46:40-07:00 sjplimp sjplimp@sandia.gov USER-DPD: a variety of small but important bugfixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4af6557568e7f6c0e2c187f2473b67b01817556e Merge pull request #394 from jaapkroe/kolmogorov-crespi 2017-03-07T09:46:08-07:00 sjplimp sjplimp@sandia.gov Added Kolmogorov-Crespi potential https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0798885bdb2ae1e1481c4a3df0c9217f63c63279 Merge pull request #389 from akohlmey/update-agni-potential 2017-03-07T09:35:31-07:00 sjplimp sjplimp@sandia.gov update AGNI potential for Al, reference runs and output and citation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/020e75e7efffe4795a9311d2968185a8c3d59e58 Merge pull request #386 from akohlmey/doc-consistentcy 2017-03-07T09:33:14-07:00 sjplimp sjplimp@sandia.gov improve consistency of manual https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6866f1cfdd750662a14087e4f48a80a7bfcb9f5 Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes 2017-03-07T09:32:30-07:00 sjplimp sjplimp@sandia.gov Fixes for PairAIREBO::bondorderLJ https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/efaa4c67109fb75e03699d2d7294005810fb776e new neigh_modify exclude option, other SNAP changes 2017-03-07T09:31:12-07:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/08baaa9d8edeca2189398680cc19637822ca17b9 Fix more typos in tools 2017-03-07T01:00:25-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/359af419a7ab69369cc1c4d8a57be47b02f83bef Fix typo in python README 2017-03-07T00:58:35-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/21be86c42393fc3a245831fded855810d1d031a1 Fix typos in txt2html 2017-03-07T00:58:03-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6800405a518d957e438ee959852b2bf38c9997e Fix more typos in examples 2017-03-07T00:57:23-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3a054d1a82b200998de97e0a6b22ff59f7ae6630 Fix more typos in src files 2017-03-07T00:55:01-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/007f3c66a033805cbc6755fce6920da6e3e1385c Third batch of spelling fixes in manual 2017-03-07T00:51:31-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/32708860a9fa6a80b887205da3aa8fd76b2b53a5 Add remaining false positives 2017-03-07T00:27:35-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fc9eebb9367cdb335e87ce982882857f1f189be6 Added spellcheck utility to documentation build 2017-03-05T21:23:41-05:00 Richard Berger richard.berger@temple.edu Uses the sphinxcontrib-spelling extension and requires PyEnchant and aspell-en to be installed. Adds the optional make target 'spelling' which produces the file spelling/output.txt. It contains all words it detects. Due to the large number of false positives, words in utils/sphinx-config/false_positives.txt are ignored. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dd76ac5010aeb43900f3dd9db9a4a75acf091f59 Fix typos in tools folder 2017-03-05T21:18:01-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17486a9319f851ae681c944adeb3a1340387404e Convert USER/lb/polymer files to UNIX line endings and remove trailing whites... 2017-03-05T21:16:21-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/778a79b8eef75981a37f48d2bf8875d4ac6ea50c Fix typos in examples folder 2017-03-05T21:10:33-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7dd60f97377ad7ef7fdb7fd9650b5da6bd4eae48 Fix typos in src files 2017-03-05T21:03:40-05:00 Richard Berger richard.berger@temple.edu