lammps:e51e25882b3feb32f433e65402314dae0bf0662c commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/e51e25882b3feb32f433e65402314dae0bf0662c 2019-09-16T16:39:50-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e51e25882b3feb32f433e65402314dae0bf0662c Merge branch 'master' to clear KOKKOS CI failures 2019-09-16T16:39:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d357259cc495380eceee4c27f897066f2a492b86 Merge pull request #1669 from stanmoore1/kk_ports 2019-09-16T16:35:55-04:00 Axel Kohlmeyer akohlmey@gmail.com Port misc files to Kokkos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/790d7d9fae8c6cc6e9bb4ad54953550a769df608 Added log files and updated README 2019-09-13T15:59:25-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c1e7294b4237906a60f852eca3aeba7437abb290 Merge branch 'master' into kk_ports 2019-09-13T12:30:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d62ef0df82d3848e6bb8056fe9cb18151b5f44fc add omitted cmake entries for recent KOKKOS package changes 2019-09-13T12:26:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4593e159efaee27ea6a8be67914762ca54e9c789 update docs to indicate KOKKOS support for dihedral style harmonic 2019-09-13T12:25:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/be0587eab57303e98ada1c9ad89194a88e67a2ca Merge pull request #1670 from akohlmey/fix-rigid-nh-no-extended 2019-09-13T08:04:16-04:00 Axel Kohlmeyer akohlmey@gmail.com Consolidate constants and enumerators across rigid fix styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce7c3e6864a23a230f299e50f646fe30bfe29f24 Merge pull request #1648 from athomps/add_w_l_orientorder 2019-09-11T14:08:33-04:00 Axel Kohlmeyer akohlmey@gmail.com Add w l orientorder https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/df63a53788ed2aebd38e762f09268635853efbfb Merge pull request #1650 from stanmoore1/kk_minimize 2019-09-11T14:04:47-04:00 Axel Kohlmeyer akohlmey@gmail.com Add Kokkos version of minimize https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/102db258bc8bb994ca85090467b65fbe8dd91f4b Merge pull request #1667 from edwardsmith999/master 2019-09-11T14:02:09-04:00 Axel Kohlmeyer akohlmey@gmail.com Adjusted compute_bond_local to allow components of force to be obtained. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/07cda306a6b5df6f9632fdaa574187c558a27397 Merge pull request #1668 from stanmoore1/kk_hpe 2019-09-11T14:00:24-04:00 Axel Kohlmeyer akohlmey@gmail.com Add support for HPE MPI to Kokkos package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d918b17ee70db55233ffe24a88eb90f8b4102a63 Merge pull request #1664 from jrgissing/comm_modify-docs-tweak 2019-09-11T13:58:17-04:00 Axel Kohlmeyer akohlmey@gmail.com Comm modify docs tweak https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/34f73fddfe4bab4f573fe18c3205b6677c5366ea Added a missing break statement in fz component 2019-09-11T11:59:59+01:00 Ed es205@imperial.ac.uk https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/493f1cf65b3ea87c5b05d3a2c06af53bc2a4c228 correct overlapping definitions of bitmask flags 2019-09-09T15:33:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/345d6cc7fe6745a000aebfe320a03168ad7dbad9 Compute pe doesn't touch atom data 2019-09-09T12:29:46-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fb0dee49a233f84cf71a9a86e69d1b69a405f40e Small changes to base dihedral_harmonic class 2019-09-09T12:06:52-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c36c4d50cce96b8fbdda7b9d53558662abe33fe1 Add Kokkos verison of dihedral_harmonic 2019-09-09T11:16:31-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/51786a459fb9d311b5877146f2e93705071a93e9 Add support for HPE MPI to Kokkos package 2019-09-09T10:14:30-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b08b3b90dadbe015644c1f0793c5147c91dd4966 Adjusted compute_bond_local to allow components of force to be obtained 2019-09-09T14:43:34+01:00 Ed es205@imperial.ac.uk https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e40a710f04567c4d9aef748814c991f0c9d7d021 comm_modify docs tweak 2019-09-06T01:38:17-06:00 jrgissing jrgiss05@gmail.com comm_modify cutoff usage clarification, when using restart files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9ba26a3145b169bde9aa627b8f4af02e77f7987e Merge pull request #54 from lammps/master 2019-09-06T01:30:04-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cfd72aacce8f50af3977eb4f5b3e27c1280f7c02 Merge pull request #1653 from cjknight/make_theta 2019-09-05T14:14:35-04:00 Axel Kohlmeyer akohlmey@gmail.com Cleaning Theta Makefile https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4a9ca6eca2a9b0f9e196c0749c390e5cc7077a14 Merge pull request #1661 from wmbrownIntel/user-intel-make-update 2019-09-05T14:02:49-04:00 Axel Kohlmeyer akohlmey@gmail.com USER-INTEL: Adding explicit include path for MKL and updating benchma… https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d28e5136b8c0c25096974fa58fb9f77aa8a2acd3 Merge pull request #1654 from nmhamster/master 2019-09-05T14:00:44-04:00 Axel Kohlmeyer akohlmey@gmail.com Add support for Astra/Arm system to LAMMPS build files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/92c77a2b37405705d565ed77b00523eceaa8b225 Merge pull request #1634 from junghans/kim-api-version 2019-09-05T13:59:46-04:00 Axel Kohlmeyer akohlmey@gmail.com cmake: add version check for kim-api https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1e3938835bdca943c5226bd96d0efee5fe8b2390 consolidate rigid fix constants and enumerators into a single header and name... 2019-09-05T11:32:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fc50ae5951e1368eb5b1edc5c6c7047c22e53453 clean up description 2019-09-04T16:11:19-05:00 chris cjknight@local https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/364ccf6361fe4b137434c9058567aebf27d672bc Fix typo 2019-09-04T16:26:03-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/039665c63547abf7fcba7a53d0d4574c2b0563fc USER-INTEL: Adding explicit include path for MKL and updating benchmark script. 2019-09-04T07:53:33-07:00 Michael Brown michael.w.brown@intel.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5ed720e79c91abb4289b9be54f5aa66848632425 Add support for Astra/Arm system to LAMMPS build files. Testing on Astra at... 2019-08-29T08:54:37-06:00 Si Hammond simon.hammond@gmail.com Add support for Astra/Arm system to LAMMPS build files. Testing on Astra at Sandia using ATSE environment. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/43a004daacd80666c7d33bb37f4d21bb08b60bcc Cleaning Theta Makefile 2019-08-28T17:00:59-05:00 chris cjknight@local https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c24486c824c71b2c669edc5b1d66a08a8e56d3e3 Fall back to base class function 2019-08-28T09:47:26-07:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9961229226684adbc4bcd30a84fb06e6e20cd8d9 Update docs 2019-08-28T10:01:00-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/02e6ce32ea1e3491df7349477f85720bd2f24091 Add Kokkos version of minimize 2019-08-28T09:41:15-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3ec9317d037200acf3dc0e4d71ec4179dca42970 Modified documentation 2019-08-26T14:28:09-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/07fceec1eeed245ea433ed2a7d63933c0360cb37 Tweaked doc page 2019-08-25T23:26:42-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fb702fa9d6587d92dc4783738e742028df939c03 Added FCC, BCC, and ICOS examples 2019-08-25T23:02:41-06:00 Aidan Thompson athomps@sandia.gov 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/f8e3ea2839bb4c2c82790a6b4bebd8428cbe8570 Added Wlhat 2019-08-25T12:06:25-06:00 Aidan Thompson athomps@sandia.gov