lammps:cfa9179b28b536070518f033d80adef74a5f85c7 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/cfa9179b28b536070518f033d80adef74a5f85c7 2019-08-21T00:12:16-04:00 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/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/a0f49f27d9d7387a7df4a95c86250e53b4ec8eda Final tweaks to HMA documentation 2019-08-19T18:15:19-04:00 Andrew Schultz ajs42@buffalo.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9a849a4d4f720f2fbcf5659d7cae1d1d2ae86a9a Merge branch 'master' into master 2019-08-19T15:55:39-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b72215fe026ecf4944c161bda578f8323bca7c8f add support for automated checksumming of downloaded sources to kim api conve... 2019-08-16T12:43:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42711245a2a8601ed8efeb59b8be2e060992861f bump kim-api to 2.1.3 2019-08-16T10:08:23-06:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8cfdf4fad5937e3d7ca1aa867869fd32cbdcd23c Merge pull request #1632 from ellio167/kim-query-user-agent 2019-08-16T12:05:55-04:00 Axel Kohlmeyer akohlmey@gmail.com Add user-agent setting to kim_query curl command https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/72c5808cfe9f66df4d53f9419cc707ee803b23fb Merge pull request #1633 from junghans/chain.x_install 2019-08-16T12:05:33-04:00 Axel Kohlmeyer akohlmey@gmail.com cmake: install chain.x as well https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/578bcf0fb0d22842f360352acd0f2d696bde8822 Fixes normal force calculation bug in fix wall granular, allows twisting to b... 2019-08-16T01:19:08-06:00 Dan S. Bolintineanu dsbolin@sandia.gov Fixes normal force calculation bug in fix wall granular, allows twisting to be used without rolling in fix/wall/gran https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/edbd525bcb19ac1bce446eaf056ff4354268b2d2 cmake: install chain.x as well 2019-08-14T17:16:43-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/259176c590f241445d13ffe011143fed9f41f00a Add user-agent setting to kim_query curl command 2019-08-14T17:16:10-06:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e4e2342641a42dea2eec7c941f8f3d45c4fff525 no need to include mpi.h in headers that include pointers.h (directly or indi... 2019-08-13T11:04:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fa6cf0fa8fd93f0794463d7bd5e8066e7b6cfd40 reduce compiler warnings 2019-08-09T16:00:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42239bf480fa02e3c173fb7298577883345d7368 update USER-MISC README 2019-08-09T15:51:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/18725ce060d122622f78e44e6f87070ac8f3d1ee reformat documentation to match typical LAMMPS conventions, change links 2019-08-09T15:42:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f442d7b641cb697681ce70751be905b0d481afb add a couple of false positives 2019-08-09T15:31:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/11f1ba220b9bb1fa33e4f125a8b0f8a1ae521670 fix typo 2019-08-09T15:30:55-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a12b959f3907dba9f8015fcb8083d3ac82a692de Merge pull request #1625 from ellio167/kim-logs 2019-08-09T13:47:41-04:00 Axel Kohlmeyer akohlmey@gmail.com Added logs for examples/kim https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d90d2316d1061230145b37ff61322b4b7f5945da small tweak on include file list 2019-08-09T11:11:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/838238b1ca80f44ea8cfd90e30b39a888c5f2077 documentation 2019-08-08T00:38:41+02:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8619462b3b5e9f0ef7ea9917f318646703efda72 Added logs for examples/kim 2019-08-07T16:14:22-05:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b084ad519d4717ac8fc05c2cb057b442fb6403b1 Merge branch 'master' into feature-pair-cossq 2019-08-07T19:19:16+02:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/131c5aadd2d938d9ef1e541ff452169b9a315292 Error/warning tweaks 2019-08-07T19:16:54+02:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d08d6b5fb0e4cee067c386ff719b068094567f8f Merge pull request #1623 from akohlmey/next-version 2019-08-06T11:17:40-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for stable release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/db621fc89784f311da0950a6250db7ad2ca91db6 Merge pull request #1622 from akohlmey/fix-ave-histo-bugfix 2019-08-06T10:54:49-04:00 Axel Kohlmeyer akohlmey@gmail.com fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c820c92225f8388c70aecb90832e96b6dc1dabdd Merge pull request #1620 from lammps/replicate 2019-08-06T10:12:19-04:00 Axel Kohlmeyer akohlmey@gmail.com fix formatting and augment explanation for bbox option https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/59046e7444d709b7bf8f70c1f1ca890c93162975 step version number for stable release 2019-08-06T08:52:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4a55e9dd0c860e8c1f420eb274ea3fc91d6ff498 fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight 2019-08-06T07:28:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/71ce1c20274d373b4312171d8f4ef95921a16a7c use cube() and square() from math_special.h instead of pow(x,3.0) and pow(x,2.0) 2019-08-05T23:25:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/21f3f51ea2a719c9e57bdaf31c34b385c0c4efd4 better error messages on accessing invalid IDs in variable expressions 2019-08-05T23:17:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2d643233549f83b7e4d49712ff8b864d39c163c7 fix formatting and augment explanation for bbox option 2019-08-05T17:21:11-06:00 Steve Plimpton sjplimp@sandia.gov