lammps:72b69783decf82415b4119152228c113c8f7cdca commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/72b69783decf82415b4119152228c113c8f7cdca 2019-04-06T17:17:17-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/72b69783decf82415b4119152228c113c8f7cdca add download-default-if-not-found logic to voro++ library for VORONOI package 2019-04-06T17:17:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c02ce730205c718f526a3aab2697f478b42e2e3 silence some compiler warnings 2019-04-06T17:03:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f98aed419c2d3a61e8f8fa8eb91c8ecf73683bd4 document the 'maxelt' define in pair style meam/c and how to change it 2019-04-06T17:03:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86f4080b71bab8d70b382a893b113a22140c3105 some dead code removal in pair style kim. 2019-04-06T16:48:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/59a4d422319fbf1f158395b4b56dc205f7428035 make default CMake setting for DOWNLOAD_KIM depend on whether the KIM API is ... 2019-04-06T16:47:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e8289b0024d69f9d9e8a51481328e58a7fd2cbef Merge branch 'find-kim-fix' of https://github.com/ellio167/lammps into collec... 2019-04-06T16:28:48-04:00 Axel Kohlmeyer akohlmey@gmail.com 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/47b74379762a42f63c3fd679bd0a13b873f60422 Have FindKIM-API.cmake work in QUIET mode 2019-04-06T15:08:15-05:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6643a4ec9274c2c661df414a8bf41c04ff07b1e1 Fixup FindKIM-API.cmake and clean up some v2 remnants 2019-04-06T14:20:21-05:00 Ryan S. Elliott relliott@umn.edu 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/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/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