lammps:3070a110413d88e2356a2db168924ba5272d6b3a commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/3070a110413d88e2356a2db168924ba5272d6b3a 2019-04-06T16:23:10-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3070a110413d88e2356a2db168924ba5272d6b3a guard against extracting too many elements from the MEAM library into the sta... 2019-04-06T16:23:10-04:00 Axel Kohlmeyer akohlmey@gmail.com this will abort with a meaningful error message and people can fix up their LAMMPS binary as needed. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb27d03c79c22bc2316e838098d8cb0358e61b59 stop with error message when computing per-atom stress for reax/c/omp 2019-04-06T11:27:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8683e1ebf83cb625d7e89ac23623d78d0cec4a44 revert ineffective changes 2019-04-06T11:24:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6a12f6c3e02dabf8926dd788e2e1d256a1f86c9 roll back ineffective changes and add zeroing of allocated storage 2019-04-06T11:22:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/efa8c8d58b9ffba4a287f9d5203e4344c0dc698f sanitize file pointer access handling 2019-04-06T11:21:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bcb6e1be4fd272f3ea4d0be0b56b6976b3a5b8de disable fdotr for virial also for regular pair style reax/c 2019-04-06T09:45:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bca7364ba3c015ae44f10c3fecd80615617707a2 disallow using fdotr for computing virial contributions with reax/c/omp 2019-04-06T09:21:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9334c72c04fba8cbbe17cba1c063d17658f05f66 clang can be installed supporting OpenMP without having omp.h installed: add ... 2019-04-06T08:59:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f10534a7213911264cf42eef674535c9b941a7e5 add code to build msi2lmp with CMake 2019-04-05T23:56:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/de0938da39a2d27f68e67dc69d9c7694d691123c avoid segfault when catching command line flag errors with EXCEPTIONS enabled 2019-04-05T23:24:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3d7a4fb9459feb6018ccdcd609aae87b4c3c11eb silence compiler warnings, remove dead code 2019-04-05T17:04:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d17553d8d294d6a6598526f5dcfaa3305a783fde add preset to make it easier to use clang with OpenMP and MPI 2019-04-05T16:52:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e56d69a267a38796478f4840465aa85067f87854 silence compiler warnings 2019-04-05T16:52:03-04:00 Axel Kohlmeyer akohlmey@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/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 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/968ac3d8d713643529c591fc190b2e9720b4ca04 Merge pull request #1367 from mkanski/reax_better_errors 2019-04-04T12:47:02-04:00 Axel Kohlmeyer akohlmey@gmail.com Removing calls to MPI_Abort from reax/c + a fix for a memory leak