lammps:b5a79f9616457a5257970388506ae53232e03841 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/b5a79f9616457a5257970388506ae53232e03841 2019-08-20T16:50:49-04:00 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/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/47533bc5260c7959c15393e0ec66d466ed0267a6 Update fix_wall_region.txt 2019-08-13T00:31:03+02:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ff09c191493a1ebd6ec87159c25d1ab64749c8e7 documentation for fix_wall_region morse 2019-08-13T00:10:50+02:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/915e0b30cf557a53ddfd7b262ef9a70353f6d5b4 Merge branch 'master' into feature-wall-region-morse 2019-08-12T23:01:01+02:00 Eugen Rožić erozic@zoho.eu 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/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/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/2d643233549f83b7e4d49712ff8b864d39c163c7 fix formatting and augment explanation for bbox option 2019-08-05T17:21:11-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/25b504d4fdc129e3eb8115509cab6740860a465d Merge pull request #1615 from akohlmey/next_version 2019-08-05T19:13:17-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for stable release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/34cc7ed5b192bfea62ba04ffbd35ebadde4881b7 Merge pull request #1619 from ellio167/kim-doc-update 2019-08-05T17:39:40-04:00 Axel Kohlmeyer akohlmey@gmail.com Update kim query url in docs https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3ef93d6e1b97384a5d11b8e1b31ec0114f089974 cannot forced enable FFMpeg and gzip on windows yet. 2019-08-05T16:59:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2092b2c010a8e2bc419e94a8d9b48befc6847852 Step version string for stable release 2019-08-05T16:58:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/16bf916dd02b87c0db8db1a2e7ff1318b55ea49c Merge pull request #1616 from akohlmey/fixes-for-stable 2019-08-05T16:48:50-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small fixes for stable release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3a4bce1e5206340011e13c6fd09a5d5496d0926b Merge pull request #1617 from rbberger/cmake_docs_additions 2019-08-05T16:36:48-04:00 Axel Kohlmeyer akohlmey@gmail.com Mention LAMMPS_LIB_SUFFIX in docs https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0bd57041073244876889504018afa559611203ac Merge pull request #1618 from giacomofiorin/colvars-update 2019-08-05T16:36:16-04:00 Axel Kohlmeyer akohlmey@gmail.com Bugfix for Colvars library (update to version 2019-08-05) https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e39b85b62fd06f25e94ff4e51cf08e453b35ccf1 Update kim query url in docs 2019-08-05T15:23:57-05:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/97501f0946580b98d50e83b237544fdd7dc79b36 Fix typo 2019-08-05T14:59:40-04:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/51ba9bd52069f34d0c112a1182660192bc81192c Bugfix for Colvars library (update to version 2019-08-05) 2019-08-05T14:14:33-04:00 Giacomo Fiorin giacomo.fiorin@gmail.com Bugfix for group2CenterOnly (coordNum option): <a href="https://github.com/Colvars/colvars/pull/278" rel="nofollow noreferrer noopener" target="_blank">https://github.com/Colvars/colvars/pull/278</a> https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f2757eaf4182a883583278295a8961b60b3aebd3 Mention LAMMPS_LIB_SUFFIX in docs 2019-08-05T14:00:56-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/096c2255940eb189181c9006e4dd530341cd919d Merge pull request #1613 from rbberger/cmake_docs_update 2019-08-04T18:32:11-04:00 Axel Kohlmeyer akohlmey@gmail.com Update CMake documentation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/58d27403f15fc8e0e92bfa8f73f5665dd08a2753 CMake tweaks to improve building LAMMPS for windows with mingw on Linux 2019-08-04T18:28:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b65ae605e5d8f6ce7b6225ddbafafc2188f86421 Added one-liner for HTML-only docs in Build.txt 2019-08-03T15:17:18-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d82ae64d16778523fb0460b4ac3894cf6ffd01dd minor tweak for consistency 2019-08-03T11:16:55-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5b3423c60eb48444f959fe63d5e03ec6b09c0571 tweaks for Linux to Windows cross-compilation 2019-08-03T11:16:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/faefcc776a70b490ee70c2522c5c2d99c6322ec4 sched_getaffinity() is a Linux specific system call. add preprocessor guards 2019-08-03T10:38:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0774e92ecea9aeaed8a8f0ad1cea7cc635f44224 use KIM-API 2.1.2 consistently with CMake and conventional build system 2019-08-03T06:40:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/91fdd98fbc35f2a078e69551236786610a5190a9 restore accidentally deleted text 2019-08-02T18:44:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bd87b672327e10c8e1eaa3a99c8628ab0e9091b3 Update false_positives.txt 2019-08-02T17:35:26-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eb7fa1b6cb6a545fc80a2f84c10b751d75bb5823 Update CMake documentation 2019-08-02T17:04:59-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aff5f06e8f879e25f4dfed6f44d0c1124fdf2a15 Merge pull request #1612 from akohlmey/new_version 2019-08-02T14:27:13-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bd3ffe1321b81b154d7a7659de662d2ea002c68f Merge pull request #1603 from eagunn/iss1572clean 2019-08-02T10:43:30-04:00 Axel Kohlmeyer akohlmey@gmail.com Iss1572clean: Clean fix for error handling, clarify data requirements for fix bocs input https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/11198e9d29e292a2e0e7bac56faa6748957ffa59 Merge pull request #1607 from giacomofiorin/colvars-update 2019-08-02T10:43:13-04:00 Axel Kohlmeyer akohlmey@gmail.com Update Colvars to version 2019-08-01 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a857e7f790a4c2ffbdcaf1aa1de1548eaf1e03db Merge pull request #1608 from wmbrownIntel/intel-eam-eatom-fix 2019-08-02T10:42:54-04:00 Axel Kohlmeyer akohlmey@gmail.com Bug fix for eam/intel per-atom energy calculation. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9c691ddd0fd78527e3a81bd4f3d39ff00b1bd7fc Merge pull request #1610 from wmbrownIntel/intel-ncache-alias-fix 2019-08-02T10:42:37-04:00 Axel Kohlmeyer akohlmey@gmail.com Bug fixes for use of uninitialized variable and strict-aliasing in USER-INTEL https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/828ddfd9579a0849584425735d3b6640aa083b13 Merge pull request #1611 from evoyiatzis/patch-1 2019-08-02T10:42:20-04:00 Axel Kohlmeyer akohlmey@gmail.com small clean-up of fix.txt