lammps:ce7c3e6864a23a230f299e50f646fe30bfe29f24 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/ce7c3e6864a23a230f299e50f646fe30bfe29f24 2019-09-11T14:08:33-04:00 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/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/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 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8e1b3116a7d9bc91c772a3cb07d04d036c000854 Added Clebsch-Gordan coefficients 2019-08-23T22:29:41-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aa9b805cc9c77cb774c6d5b329a48d87d8357e8e started on W_l 2019-08-23T18:11:52-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f44470fe637a3e87d230c077c44010f00ced534b Added fcc and bcc examples for the Steinhardt-Nelson parameters 2019-08-23T16:28:13-06:00 Aidan Thompson athomps@sandia.gov 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/09937c99418a798ae0cd62e3e21593065ddcb284 Add missing npair style for KOKKOS when using CMake 2019-08-22T18:36:36-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb999ad65f31825dbc932127ef6db66201a6251c fix typo 2019-08-22T13:46:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c74f5ae41683871ce2c42658c86baed680f6441d add another example to Howto chunk doc page 2019-08-22T11:37:21-06:00 Steve Plimpton sjplimp@sandia.gov 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