lammps:077647b4e2a58be582ac8c9da3cb75f688a71c05 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/077647b4e2a58be582ac8c9da3cb75f688a71c05 2019-09-19T14:54:48-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/077647b4e2a58be582ac8c9da3cb75f688a71c05 whitespace cleanup 2019-09-19T14:54:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/95f59f5bf198e65aed91e93a0dbcd1f852354a9a cosmetic changes 2019-09-19T13:58:30-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/450f437d9f2f5f99ddaf56926d78cee9a1702489 bond/react:another edge atom clarification 2019-09-08T22:59:59-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2e0fcac74418d2c23093814dbb411bf5baf01c9a bond/react: define MAXLINE take 2 2019-09-08T21:11:24-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0235b1a286209bd11fc9087357cfd88fc6269223 bond/react: move MAXLINE to header 2019-09-06T00:18:24-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/49b5825e8da3fc7caea9fe9cc28a655664e101dc bond/react docs tweak: address a common mistake 2019-09-05T23:50:57-06:00 jrgissing jrgiss05@gmail.com no atom of a small molecule should be specified as an edge atom https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/50af20d194ee86de6f873ab48493d81c72d79389 bond/react: remember reaction counts 2019-09-01T23:31:31-06:00 jrgissing jrgiss05@gmail.com allow restart files to restore cumutative reaction counts https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86c21264b951b64713125f77767f1d74c19b87de correct string assignment, take 2 2019-09-01T23:09:01-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c981dd7cf4999ff9e1f01ed76c8c0375e8f93545 another one-liner: incorrect string assigment 2019-08-31T22:51:06-06:00 jrgissing jrgiss05@gmail.com does not affect any current features https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ed02c25cfc6ced2c8a2b50341c3875d0e9eaa969 bond/react: bug in 'max_rxn' option 2019-08-22T22:36:48-06:00 jrgissing jrgiss05@gmail.com fix one-line bug in 'max_rxn' option of bond/react https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7d0ac95121ae803b1d6ca6a1607007000a51184f Merge pull request #52 from lammps/master 2019-08-22T22:28:28-06:00 Jacob Gissinger jrgiss05@gmail.com rebase 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 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