lammps:548fd40e9a44abe483a147483f55500309031981 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/548fd40e9a44abe483a147483f55500309031981 2019-09-13T09:15:39-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/548fd40e9a44abe483a147483f55500309031981 make certain that nvalues class member is initialized 2019-09-13T09:15:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7386956dc5b3275339f6d13515a4ea63fe450e46 remove misspelled word from false positives list 2019-09-13T08:52:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f9decadf8a44a4c2e4138871531657de7d3e9be fix typo 2019-09-13T08:03:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fa164fffba94898a10bf182c74a84bd27d5a41fa explain new semantics for accessing pN for hybrid styles 2019-09-12T13:59:05-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1e0cd0b202242dec16c59390a730b02e5a3d41c0 separate out svector handling to new virtual functions, so it can be handled... 2019-09-12T12:30:22-04:00 Axel Kohlmeyer akohlmey@gmail.com separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d0c86be48dff6fc45966aa2a130e049487abe1c add omitted cmake entries for recent KOKKOS package changes 2019-09-12T07:33:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f34f133f7d378cfe2e1b7ffaaaa40e94b42bae32 bugfix for pair style lubricate when used with walls 2019-09-09T18:03:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce02cb58a58787f91f3d2a5304b77c88c33ea5fa replace explicit potential files with links to the potentials folder 2019-09-06T13:37:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bb0225c02ed7470b3e2a01a824a0a83c1038998e clear svector for every invocation. document changes 2019-09-05T14:29:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/41d9dbff33011f5fb4d268a6a76468ec6e10de20 append all svector entries instead of copying over each other 2019-09-05T14:08:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cffe43c96ce23bf119a2cf1e8f8b4cbb768c8d49 bugfix for copying svector data with hybrid pair styles 2019-09-05T12:11:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0b34db7881532856fe293c3297e710ed872e20ca Merge pull request #1642 from lammps/chunk-doc 2019-08-25T20:16:35-04:00 Axel Kohlmeyer akohlmey@gmail.com add another example to Howto chunk doc page https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/438400e5fe11d13b2058f015a54636a5276c66f9 Merge pull request #1644 from rbberger/kokkos_cmake_fix 2019-08-25T20:15:38-04:00 Axel Kohlmeyer akohlmey@gmail.com Add missing npair style for KOKKOS when using CMake https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/09937c99418a798ae0cd62e3e21593065ddcb284 Add missing npair style for KOKKOS when using CMake 2019-08-22T18:36:36-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb999ad65f31825dbc932127ef6db66201a6251c fix typo 2019-08-22T13:46:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c74f5ae41683871ce2c42658c86baed680f6441d add another example to Howto chunk doc page 2019-08-22T11:37:21-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1599fcef12c6c719fdd7898e65685c93ce31b12b Merge pull request #1640 from akohlmey/fix-wall-morse 2019-08-21T22:17:08-04:00 Axel Kohlmeyer akohlmey@gmail.com Implement fix wall/morse https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad83f0e2e36d6658bccc9524ca0c196efc6fe3e8 update docs to add morse in a similar style to fix wall/region 2019-08-21T17:12:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aac557a98f72d366695b19f5dd39264f6baa68b8 integrate fix wall/morse docs properly into manual 2019-08-21T16:00:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6a584672e853005bf7e2040343049dc835e9430f implement fix wall/morse based on fix wall/region and fix wall/harmonic 2019-08-21T16:00:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82b3fad152518cf1f2503025458af62144a04017 Merge pull request #1628 from erozic/feature-wall-region-morse 2019-08-21T11:47:43-04:00 Axel Kohlmeyer akohlmey@gmail.com Added "morse" style to the "wall/region" fix https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bf85bff78370ce18e36e8507ae64301ffba6ac72 Merge pull request #1641 from rbberger/fix_external_via_python 2019-08-21T10:54:59-04:00 Axel Kohlmeyer akohlmey@gmail.com Extend lib interface to allow setting fix external callbacks https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cfa9179b28b536070518f033d80adef74a5f85c7 Merge pull request #1503 from etomica/master 2019-08-21T00:12:16-04:00 Axel Kohlmeyer akohlmey@gmail.com Implement HMA compute in LAMMPS https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42b282fe36e953d198d2995eff5d58fed796170f Merge pull request #1637 from dsbolin/granular_bug_fixes 2019-08-21T00:09:04-04:00 Axel Kohlmeyer akohlmey@gmail.com Bug fix for fix/wall/gran https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c686df1aba471d4d959e966b43fecae6c3b855ae Merge pull request #1621 from akohlmey/collected-small-fixes 2019-08-20T19:36:10-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small fixes and updates https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ffc023adfeaca92c14612559633ffa8161762e16 Merge pull request #1626 from erozic/feature-pair-cossq 2019-08-20T19:35:45-04:00 Axel Kohlmeyer akohlmey@gmail.com New pair_style cosine/squared https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9fc021d8db71f3b68582d53b73f476800179f0f9 Merge pull request #1638 from ellio167/kim-api-2.1.3 2019-08-20T19:34:44-04:00 Axel Kohlmeyer akohlmey@gmail.com bump kim-api to 2.1.3 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/91a80c3c213acfb526a79522dfdd2ee58fca600c Silence another compiler warning 2019-08-20T19:28:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fffe2eb958d6da8acf99e554b82bc944b294d0c6 Silence compiler warning 2019-08-20T19:26:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/14b93f91e2a739cce040d1d3d8e92c9938c9b805 Compute HMA style name should be lowercase (and match the docs) 2019-08-20T19:25:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6b1df0729870fdc7622146b27da8a8721790e5a4 compute HMA style name should be lowercase 2019-08-20T19:24:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b79e5401d408805b04e183591ab95c2d26311740 Increase string buffer size to 128 2019-08-20T16:55:36-06:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9b703c66751dd5b3e170e4b97aac6d6aba544b3c Fix file name 2019-08-20T16:54:37-06:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f4254cba0986bb4dc65244e1c2d51df273e5e9ee Use snprintf instead of sprintf 2019-08-20T16:47:43-06:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b5a79f9616457a5257970388506ae53232e03841 update fix wall/region docs as requested by @sjplimp (i hope) 2019-08-20T16:50:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7beb2a53f2c4142bc0bba00130fd7e76a56152d3 Add missing comment 2019-08-20T14:12:14-06:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2b42428d28605f33ebea01acb1eade08006a5a44 Extend lib interface to set fix external callback 2019-08-20T14:04:49-06:00 Richard Berger richard.berger@temple.edu This allows creating a callback in Python and attaching it to a fix external instance. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/88ff8ce2d7942ce9e01d934fbaed9f4ef4905548 fix spelling issues in docs 2019-08-20T12:05:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6d5089e07816c3fec1c9887899819e07649f136b Merge branch 'master' into collected-small-fixes 2019-08-20T12:01:52-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3d9e737a19e7829d8880cd2fb87850f873a15b54 change order of morse style wall potential parameters to be consistent with... 2019-08-20T11:27:29-04:00 Axel Kohlmeyer akohlmey@gmail.com change order of morse style wall potential parameters to be consistent with pair morse and bond morse