lammps:69c1a7954a3b7219eab47d9662123b1183c83e71 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/69c1a7954a3b7219eab47d9662123b1183c83e71 2019-04-08T17:14:59-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/69c1a7954a3b7219eab47d9662123b1183c83e71 correct test for leftovers from conventional builds 2019-04-08T17:14:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f2113ab04a9df11c71f0d5d7f306e8db15b50e0c update manual and headers for updated error message 2019-04-08T07:16:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dc40886d23ff7b3abe3ac1ed73f1805d660e9ef5 improve comments and formatting 2019-04-08T06:40:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6ee002d6cf8fe2687ccac2bea05846360273f3ef add cmake support for enhanced missing style error reports 2019-04-07T22:32:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d640c712f8df0b8718e894b4f141ae8122ff63ea apply new utility function to most places creating new styles 2019-04-07T21:18:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/916600104111cd0fa37623975a4ffde0db0d1a6c add code to allow reporting which styles are part of what package 2019-04-07T20:55:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fbf86a58d64a85d4d2b42d47c0cd03155d076c8 add support for creating packages_*.h files in conventional make 2019-04-07T20:52:15-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce1040a10305df8c45e9415e4d918113bdd38b73 Merge pull request #1414 from oywg11/github-tutorial-update 2019-04-06T19:44:11-04:00 Axel Kohlmeyer akohlmey@gmail.com fix two bugs in potential #839 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e629733d0b552d5b9050f3418fa6a74d0a2a0d2a change error-all to error-one 2019-04-06T10:26:56+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/67f8c83661e52cf5757a40a2b97bc610e2d60ee7 Merge pull request #1415 from stanmoore1/kk_nh 2019-04-05T16:50:08-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix bug in fix_nh_kokkos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/542d8aaf070ff36bbfa601292bbfc8cc19121b3c Fix bug in fix_nh_kokkos 2019-04-05T14:16:25-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6e6d35057278023690ddaa1731b702714caf5164 correct the spelling 2019-04-05T23:01:28+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4f459a59a1bc69eedb27d3465598ee17dc189fd9 correct the spelling 2019-04-05T22:55:40+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac7312caf1aba2df152bba2a6161f99fe044214a Merge pull request #1409 from akohlmey/collected-small-changes 2019-04-05T15:39:16-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and bugfixes for the next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ed90596849cf0e359eee95f6077fd3cd8d085354 Merge pull request #1399 from rtoijala/fix-elstop 2019-04-05T15:34:41-04:00 Axel Kohlmeyer akohlmey@gmail.com Add fix electron/stopping to USER-MISC https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7f040a36762cf0b63ab63e0bb2e45ddd256d934e Merge pull request #1404 from akohlmey/compute-local-bugfix 2019-04-05T15:34:10-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix bug reported in Issue #1401 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/815ad4dab2b9782b11073816b4f84848013ac7b7 fix a bug in ILP 2019-04-05T22:04:45+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/05993a79b85d58d4bab039c0d35e3fc7a476e979 Merge branch 'pair_kim_fix' of https://github.com/ellio167/lammps into collec... 2019-04-05T11:39:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/175f3ee648bf805e233c327eff93a402495e1b80 Fix pointer assignment in pair_kim 2019-04-05T10:14:45-05:00 Ryan S. Elliott relliott@umn.edu Bug only affects cases where neighbor list needs to be stripped. Thanks to Mingjian Wen (@mjwen) for finding and reporting this. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2e1da2958da1cf362a2185ed51db8902607a1218 resolve toctree and paper anchor issues 2019-04-05T11:04:11-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2757e4e6e6e6ffb61493ae439f2a90efcdac8ae5 two more false positives 2019-04-05T10:53:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/85a0461a48b16c1f383b7cfeb6fc1a69fa9a8bc2 reword and reformat text in Howto_bioFF.txt a little bit. add warnings about... 2019-04-05T10:53:23-04:00 Axel Kohlmeyer akohlmey@gmail.com reword and reformat text in Howto_bioFF.txt a little bit. add warnings about msi2lmp's age and lack of maintenance https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/20cbe1edffeb181a7fb7efaa2df2e5e32a5135a5 Merge branch 'patch-1' of https://github.com/evoyiatzis/lammps into collected... 2019-04-05T10:36:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d3801cb1259ffc50b39a27e08842c9f0488b9de Include info for COMPASS in the Howto section 2019-04-05T15:50:58+02:00 Evangelos Voyiatzis evoyiatzis@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/383e206cc22fd91f0ed30318b9c8cd0055b8ab42 the GCC folks did it again. :-( 2019-04-05T08:00:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8b2a8ad08bd1a2cb22ff3465db810c4735025753 fix stupid typo 2019-04-05T06:32:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42e8a7613e144e86b8ce0eac302b5fc87323779e stop with error or print a warning when the system or atom ids get to large f... 2019-04-05T06:29:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4f026b9b3830afdbf2ede14fe9d6001be56e5604 remove trailing whitespace 2019-04-05T06:14:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/76dfcc1dfdb60dff59506327ffc2490e9fa41dea Merge branch 'mc-bigbig-fix' of https://github.com/rtoijala/lammps into colle... 2019-04-05T06:07:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9543335613c6dc1828752009c790f312216bf724 Merge branch 'master' into collected-small-changes 2019-04-05T06:05:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f4159ff5929b1d5ce62a75fd4afe315271160266 implement different -DLAMMPS_BIGBIG workaround without breaking format 2019-04-05T05:53:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e359e80118890a6330bb3c3c93e1d6637e16d5ed fix bug reported in issue #1410 2019-04-04T22:39:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dbbf198edb4edf36a06550ea20a1a3bf02784864 more accurate matching of styles using utils::strmatch() 2019-04-04T17:10:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/df94e80bb1be510b9c6df8a73059719ae30f8c35 silence compiler warnings 2019-04-04T16:52:08-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4003387fb10e73badd1709fd709fe182d5991999 dead code removal 2019-04-04T16:51:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ab5c3b038623b2e77a24470fc3eca9e3eb53eff4 protect against possible buffer overflow 2019-04-04T16:51:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/78bab6ee395f39fad5374dfdd90d4953353b7c8c make format macros in USER-REAXC compatible with -DLAMMPS_BIGBIG 2019-04-04T16:36:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c52a330a79b674c28cced21879a562fb180c896f update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script 2019-04-04T14:19:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/265ad4512dfa6f8be1cb0f28abfb4b9d3ffbf4d4 add sanity check on plumed pre-installed path location 2019-04-04T13:18:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/605524ab66b2bf6712e74069527a9ede82d50f49 Merge pull request #1406 from akohlmey/fix-some-64-bit-integer-issues 2019-04-04T12:47:34-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix some 64 bit integer issues