lammps:6e7e36598179e2ca5b41f02b94ab0f264f75c76a commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/6e7e36598179e2ca5b41f02b94ab0f264f75c76a 2020-02-27T13:23:08-05:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6e7e36598179e2ca5b41f02b94ab0f264f75c76a Merge pull request #1888 from lammps/release-preparation 2020-02-27T13:23:08-05:00 Axel Kohlmeyer akohlmey@gmail.com Documentation and Build script and Info updates for stable release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3c277409c2377e40eece1eb8803c202c18c0e562 switch parsed-literal to code-block in Howto files where applicable 2020-02-27T12:45:14-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/669a49e994d9566a8484cd3967e90fc24d65fb8c Merge pull request #1908 from stanmoore1/kk_finalize 2020-02-27T12:05:17-05:00 Axel Kohlmeyer akohlmey@gmail.com Finalize Kokkos on error exit https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/06ede499c17ea065cf488f6221eb6049f2f0c644 use only the LAMMPS logo in the navigation bar 2020-02-27T11:36:00-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eb8531062caad3dd7b6046adf88c7fd8d2ba9dab Merge branch 'doc-updates' of github.com:rbberger/lammps into release-prepara... 2020-02-27T11:26:15-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/25ec8d36a86b5c01f583c9bbeaea15e8cc95bfcc Final batch of index cleanup and code-blocks 2020-02-27T11:08:04-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/704207f3c8dcac356301368de9d9c469d48b6d2f Finalize Kokkos on error exit 2020-02-27T08:51:02-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1bb38ed09bb9aa4e0d59405b46799675f392493e Merge commit 'refs/pull/1903/head' of github.com:lammps/lammps into release-p... 2020-02-27T01:15:17-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9ef5949798203ca98fb49d781bc40d53c20034f6 Second batch of index cleanup and code-blocks 2020-02-26T16:31:05-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3563d2f10de0da182455ff7b708b163f13e90438 remove references to html-offline and only produce the offline viewable html ... 2020-02-26T16:01:03-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7bd32152261cb91c466b8cd96291d8db110f1a13 Merge pull request #1894 from stanmoore1/kk_snap_chunk 2020-02-26T15:27:37-05:00 Axel Kohlmeyer akohlmey@gmail.com Make Kokkos pair SNAP chunksize variable user-settable https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ba560bc99e8aa1322bd058ed81968501c092e667 Merge pull request #1905 from akohlmey/compute-pair-neigh-request 2020-02-26T14:23:57-05:00 Axel Kohlmeyer akohlmey@gmail.com Correct compute entropy/atom to work with "avg" flag enabled https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/275626a1defccd0ba0887ab567ea1c7cac5c3567 re-enable perpertual neighborlist for compute entropy/atom if avg flag is use... 2020-02-26T13:57:11-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/49b07a23608b23d4fc1f7052f6abeb6d1b029895 Keep original chunksize value set by user in case atom count changes 2020-02-26T09:42:59-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a828facbd872d5c4a7362597ad5f322229ceae36 Merge pull request #1900 from akohlmey/couple-lammps-plugin 2020-02-26T10:40:24-05:00 Axel Kohlmeyer akohlmey@gmail.com Example for loading LAMMPS as a plugin from a shared library https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/37e6fd1bae7fbc1ef7c0061e27e4d8b93dfe7975 Merge pull request #1901 from stanmoore1/compea_neigh 2020-02-26T10:39:37-05:00 Axel Kohlmeyer akohlmey@gmail.com Change compute entropy/atom to use occasional neigh list https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dcb83d41af5f81f5d99d722a875ccf3d72172d8d Merge pull request #1899 from agiliopadua/thole 2020-02-26T07:44:04-05:00 Axel Kohlmeyer akohlmey@gmail.com Added safeguard to thole pair styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7665180627407f04920445d355ceb92b0e6c80c Merge pull request #1896 from pmla/user-ptm-group-fix 2020-02-26T07:28:01-05:00 Axel Kohlmeyer akohlmey@gmail.com Apply compute group correctly for compute ptm/atom https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f81b963a8aed439e0556cacbe86a712659d658bd more strict argument checking and initializing output data to zero 2020-02-26T13:12:39+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c92378eacaf64c3a7ed1002f741446cfb297d71f add explanation of use of group2 and document effect of compute group 2020-02-26T13:12:14+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/526c9a548fcc9b4c1172ff9bba9168d23018d9d7 need to set single_enable to 0 after single() was removed 2020-02-26T12:58:10+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/91c31da576ec43d375bc93b6f3ea4e4341da5345 remove trailing whitespace 2020-02-26T12:52:21+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8e1928aa65c4c7ff5fc69604334782287afce37e First batch of index cleanup and code-blocks 2020-02-25T14:46:22-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e87b3a21c2a4704ac69e3628bf028f8deb34c0c7 complete documentation for LAMMPS plugin coupling example 2020-02-25T14:10:55-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e083f38c59b081d1f14161badf4ff6b2de9295ad Merge pull request #1892 from sef43/master 2020-02-25T13:26:30-05:00 Axel Kohlmeyer akohlmey@gmail.com temper timeout synchronization fix https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/958d5ca05bd4194ab079a6215d4ffeba5d8a9de9 Merge pull request #1897 from akohlmey/user-sdpd-atom-style-check 2020-02-25T13:26:00-05:00 Axel Kohlmeyer akohlmey@gmail.com Add check for required atom properties in USER-SDPD https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4180b4a7d6eeab710d132ff7ed2e19fd95ebd3cf add example to COUPLE folder demonstrating loading LAMMPS as a plugin. 2020-02-25T19:07:49+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eb51511ddfb3a93d3137cba0a472d28e41212e28 Change compute entropy/atom to use occasional neigh list 2020-02-25T10:48:00-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1fc4dc151f977bda94311ced6e0a49b1037c5db5 typo 2020-02-25T18:11:31+01:00 pmla peter.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7acba4584dc5cb83fd7d4ee58f1173ed431414dd added group2ID 2020-02-25T18:05:36+01:00 pmla peter.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1a2a9f2209974fe6c93798ff4791712b202cbf48 small correction/simplification of the linking to LAMMPS library examples 2020-02-25T17:36:37+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/96d04b8a6c49eca290a5cf089ee8e60040e3b0fd Update LAMMPS lexer for docs 2020-02-25T11:30:20-05:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/00137765a87a1e831f35a80ce22c267fbff683ea Delete fix_propel_self.h 2020-02-25T17:17:13+01:00 Agilio Padua agilio.padua@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cdfb1d502668d407095ea3dfa5154494921d47c7 Delete fix_propel_self.cpp 2020-02-25T17:16:59+01:00 Agilio Padua agilio.padua@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6956dc1a33008a3c0a790375270b408dd8416765 Added safeguard to thole pair styles 2020-02-25T16:50:49+01:00 Agilio Padua agilio.padua@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3168c1116f928a96e6c6827455ae9c471a6c9fe8 fixed group selection 2020-02-25T14:16:21+01:00 pmla peter.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bf62646977382244a2ad2b635ed810b51f93ac2e add check for required atom properties to USER-SDPD 2020-02-25T14:08:55+01:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8d427b54ec0f034f774f7fb4bbb16439aeb9d2d3 small tweaks 2020-02-25T00:42:57-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/11cda92ebb82b0e148ed2cb2e8ffe0fb58bef24b add some false positives 2020-02-24T17:19:29-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ed1b4c3c7a1320755ada3437307ae8c6d431e9f Moved the chunking keyword to pair_snap.rst 2020-02-24T15:09:51-07:00 Aidan Thompson athomps@sandia.gov