lammps:d649a6fe381a9c5e76df59f48d10331bb7c5ee9e commits - 南方科技大学https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/d649a6fe381a9c5e76df59f48d10331bb7c5ee9e2018-06-29T14:55:25-06:00https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d649a6fe381a9c5e76df59f48d10331bb7c5ee9eMerge pull request #979 from rbberger/small-python-fix2018-06-29T14:55:25-06:00Steve Plimptonsjplimp@sandia.gov
Fixes issue #975https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a8b7153f4ed1a2b6286e00be0f93a5d5e487acc4Fixes issue #9752018-06-29T16:03:38-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c3fe26a614fa63e90da3f240abd392fb5d299781Merge pull request #977 from akohlmey/collected-small-changes2018-06-29T13:57:14-06:00Steve Plimptonsjplimp@sandia.gov
Collected small changes for the next patch releasehttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bbe77e4c31d4509e5f1f24085d097394fcf2c9cdMerge branch 'collected-small-changes' of github.com:akohlmey/lammps into col...2018-06-29T15:33:23-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b819018084385988591b1b9dd2e736ffd005d0a1Revert change to CMakeLists.txt which only works with 3.9+2018-06-29T15:31:15-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6900f9edf9eff643a173aa4e1781e4576ae24649Merge branch 'master' into collected-small-changes2018-06-29T14:59:02-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/11a8d4e1c3f42cd02efecd37a271b936138877b3Merge pull request #978 from lammps/new-makefiles2018-06-29T12:53:58-06:00Steve Plimptonsjplimp@sandia.gov
new ARM makefiles, also some doc tweakshttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d9396df5b9512017b042a4468a82548618ca45edMerge pull request #976 from akohlmey/collected-cmake-changes2018-06-29T12:53:18-06:00Steve Plimptonsjplimp@sandia.gov
Collected cmake changeshttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0e047f27861db83cb056ff2a71331bfa17e991ecMerge branch 'collected-small-changes' of github.com:akohlmey/lammps into col...2018-06-29T12:05:28-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ec99b0957ce216967bc931c208e0988d4ace4501new ARM makefiles, also some doc tweaks2018-06-29T08:06:51-06:00Steven J. Plimptonsjplimp@singsing.sandia.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/75a39680392099ecfcdc300c961ae904ca8da09cmultiple small tweaks to compute entropy/atom2018-06-29T06:48:11-04:00Axel Kohlmeyerakohlmey@gmail.com
- improve error detection and messages
- avoid sigma/cutoff to be zero (and thus division by zero)
- move new/delete of temporary storage outside of loophttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a3a2981cd2a73e8e1e44893a46a5cb1f64b9634eremove unused class member2018-06-29T01:22:35-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4f9c0456e6c4ed2d83a6330491794a2c9eb1e249eliminate variable length arrays from compute entropy/atom2018-06-29T01:22:26-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad4720ef00d20a04ae5bc4f069fd87e9d4e4455fmake various compiler instrumentation flags "advanced" options2018-06-29T01:00:20-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/946bca82c5893715c2313ebaf6996c7db63b4beeadd options to support GNU gcc sanitizers2018-06-29T00:56:35-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/85d7f7ddc92b48e9f1d808460a3abf547e58ce98Merge branch 'cmake_presets' of https://github.com/rbberger/lammps into colle...2018-06-29T00:23:52-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ee0e9f94f124a37f69848c7562e22cf89c8ea8feMerge branch 'cmake_misc' of https://github.com/junghans/lammps into collecte...2018-06-29T00:16:19-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f1aabea50a4b4d97ceeded4a8f82e2ad8fa1a1cMerge branch 'cmake-fix-check-for-installed' of...2018-06-29T00:13:23-04:00Axel Kohlmeyerakohlmey@gmail.comMerge branch 'cmake-fix-check-for-installed' of <a href="https://github.com/akohlmey/lammps" rel="nofollow noreferrer noopener" target="_blank">https://github.com/akohlmey/lammps</a> into collected-cmake-changes
https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b3bc5fd823ef6b2530d9d5c61df5a63a876e98deMerge branch 'record-compile-flags' of https://github.com/akohlmey/lammps int...2018-06-29T00:09:51-04:00Axel Kohlmeyerakohlmey@gmail.comMerge branch 'record-compile-flags' of <a href="https://github.com/akohlmey/lammps" rel="nofollow noreferrer noopener" target="_blank">https://github.com/akohlmey/lammps</a> into collected-cmake-changes
https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e0dc53ab3f3cf6fc40edaad25987402ffdfcf039Simplify CreateStyleHeader CMake utility2018-06-28T14:22:37-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/206d349d5ba002845d7604499c873ead6127fce9Simplify DetectBuildSystemConflict CMake utility2018-06-28T14:16:56-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4d629872d82e2ee5bc80015fa0cbc2dc85becc97CMake preset docs wording2018-06-28T14:05:25-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7a783870e27ff31d2ef2a56df4e0269089d5b564Merge remote-tracking branch 'origin/master' into cmake_misc2018-06-28T11:19:54-06:00Christoph Junghansjunghans@lanl.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0df8587c18f30633fea7c95522f807f447ccd059cmake: make GPU_ARCH free form2018-06-28T11:13:51-06:00Christoph Junghansjunghans@lanl.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad3d049eddabd8ad8e815a0c9a971cc9fbdeb5bbMerge pull request #974 from akohlmey/moltemplate-2.8.62018-06-28T07:34:52-06:00Steve Plimptonsjplimp@sandia.gov
Update moltemplate tool to version 2.8.6https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7abc960d3932d1cbbb495aa315077df810fb4dd4import moltemplate 2.8.6 from andrew jewett2018-06-28T08:18:35-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/23fb0370a9ae3c8c16e6c4476a6ac04a8b23bf9eUpdate CMake documentation2018-06-28T00:39:24-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a043ddcb82fb5d9be9e02561ecd8f4a3b72a1a79Merge branch 'master' into cmake_misc2018-06-27T21:12:25-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a2b250712111f9296ea13a038cac7953b3998753cmake: remove ENABLE_ALL option2018-06-27T19:02:10-06:00Christoph Junghansjunghans@votca.orghttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6bd5a3d69b4bd0816174fbba59c2f5024e0052b0Merge pull request #935 from julient31/spin_origin2018-06-27T16:58:27-06:00Steve Plimptonsjplimp@sandia.gov
Spin originhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/086e83456b4740d9523f6eeb65deeae735bf34beMerge pull request #970 from jrgissing/bond/react-optional-EdgeIDs2018-06-27T16:52:41-06:00Steve Plimptonsjplimp@sandia.gov
Bond/react: edge IDs optionalhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1db4705a3dcb27c103660250aacfab1dfad7fad4Merge pull request #966 from wmbrownIntel/user-intel-2018Jun2018-06-27T16:52:16-06:00Steve Plimptonsjplimp@sandia.gov
Intel Package: Bug fix when using LRT with minimize and for virial calculation with GNU... https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8e77be0848e57c8104e7e3e02b00d610ad092424Merge pull request #967 from lammps/latte-tweak22018-06-27T16:44:25-06:00Steve Plimptonsjplimp@sandia.gov
small changes to last LATTE PR, including xControl to upper casehttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fc3694189ede9d3f43b27b26e210e421b46931c7update CODEOWNERS file for LATTE2018-06-27T17:01:49-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/75aacfd17fbe09c74c7120e362a8e2e6e09483bcadd explanation comment to ABIVERSION define2018-06-27T16:58:58-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/08552fefe937ad08f2fc77b49ad3c0b74ddb74ccadd md5 checksum support to Install.py for LATTE2018-06-27T16:52:28-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/20fe0cd9d07421b6e14112d1ad91de53f4f45f36Define CMake presets2018-06-27T16:41:10-04:00Richard Bergerrichard.berger@temple.eduhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8f4b7161c5a3aac92202798712d42bfb813354c0README: add cmake2018-06-27T14:12:34-06:00Christoph Junghansjunghans@lanl.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/38cdc1828dd88fafdf994ae7748d4183f91008b7insert spin package into make and cmake build system2018-06-27T15:29:24-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9353569d302db637e3389dc5ce7658dde0c285f9cmake: add KOKKOS_ARCH to summary2018-06-27T13:25:56-06:00Christoph Junghansjunghans@lanl.gov