lammps:c911a44298df9e24ec1d1f317a4e269b9317179e commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/c911a44298df9e24ec1d1f317a4e269b9317179e 2019-05-13T21:11:24-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c911a44298df9e24ec1d1f317a4e269b9317179e Merge pull request #1450 from akohlmey/cmake-latte-pass-cmake-settings 2019-05-13T21:11:24-04:00 Axel Kohlmeyer akohlmey@gmail.com Pass more cmake settings to LATTE downloaded library build https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3a8b3a119ff9245fe2c1fafba25cb73c165d24b7 Merge pull request #1451 from rbberger/atom_vec_bond_kokkos_fix 2019-05-13T20:59:51-04:00 Axel Kohlmeyer akohlmey@gmail.com Add missing molecule_flag=1 in atom_vec_bond_kokkos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a7c9560dc15ead825056070d5c82054f7fa2e799 Merge pull request #1453 from mjwen/pair_drip 2019-05-10T20:44:28-04:00 Axel Kohlmeyer akohlmey@gmail.com add pair style drip https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/03505a6c48533a4f37eddee460c3191bd8051cba Merge pull request #1455 from lammps/doc-tweak 2019-05-10T20:42:39-04:00 Axel Kohlmeyer akohlmey@gmail.com mis-labeling of some rigid fixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2bc089db27092736d79417f14dc058f0d06ec695 mis-labeling of some rigid fixes 2019-05-10T07:42:11-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/799f4061f48d57beefdf8dd43e6a59683fcbac90 Merge pull request #3 from akohlmey/pair_drip 2019-05-09T12:18:11-05:00 Mingjian Wen wenxx151@gmail.com Update to master with refactored REBO pair style and adjusted examples https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2f580380a4a29bf6c163fa77cc3681927203923e adjust drip potential example for new requirements for pair style rebo. recre... 2019-05-09T12:29:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47cf17e5c8f31e951083028c12197bff0614c5a0 Merge branch 'master' into pair_drip 2019-05-09T12:19:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/928600a878bf7dcebeacec0f4bd23912682e62f5 Merge pull request #1452 from akohlmey/github-rebo-bugfix 2019-05-09T12:18:05-04:00 Axel Kohlmeyer akohlmey@gmail.com Resubmission of REBO bugfix for easier review https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7b2d526f865c08cf819b89ce41aaf12f1a9f1c4c Merge pull request #1448 from akohlmey/collected-small-changes 2019-05-09T12:17:19-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and bugfixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/711cd4122fe0c561b445d52206f94c6d6e7efac3 corrections to documentation and implementation of pair styles lj/mdf, buck/m... 2019-05-07T19:52:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/45e6ed018e1eef09997fba7b0d0c2d5d25a83045 correct formula for lennard/mdf potential 2019-05-07T19:45:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c193b8c426bffce94ae58cd280f4ae100f5db68 add support for write_data/write_coeff to pair style lj/mdf 2019-05-07T19:28:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/12f8834b806eefa86b72df95ca6b8abd8a6ab9d6 correction of the incomplete implementation warning in write_coeff 2019-05-07T19:26:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a87d8e124f777aaa61aa34850e25f29b773f1fa0 Merge pull request #1449 from akohlmey/fix-print-w-variable-step 2019-05-06T12:10:42-04:00 Axel Kohlmeyer akohlmey@gmail.com Support using a variable instead of a constant interval for fix print https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cc3068813767108179cf8791e3a61c0bb090e601 Merge pull request #1364 from stanmoore1/kk_binsize 2019-05-06T12:10:08-04:00 Axel Kohlmeyer akohlmey@gmail.com Change defaults for KOKKOS package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b3f4e2055e6a1543f4acbbfa8fd1b022e6adf9d0 Merge pull request #1438 from giacomofiorin/colvars-update 2019-05-06T12:08:50-04:00 Axel Kohlmeyer akohlmey@gmail.com Update Colvars library to version 2019-04-26 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8212dca60965b511624e1924d6d4de1389c6a74e Merge pull request #1447 from ohenrich/user-cgdna 2019-05-06T12:07:41-04:00 Axel Kohlmeyer akohlmey@gmail.com Homogenised label of relative hbond and stk strength to conform with oxDNA literature https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/319ed5dd48b218ec01c7d25cca9c126cfbfa2283 Merge pull request #2 from akohlmey/pair_drip 2019-05-05T09:29:00-05:00 Mingjian Wen wenxx151@gmail.com Silence warnings about unused variables and parameters, minor tweaks https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bac8b267dfa165a884ff32a353d54f1d51776f33 make sure fix deform related variables are always initialized to avoid issues... 2019-05-05T10:26:27-04:00 Axel Kohlmeyer akohlmey@gmail.com make sure fix deform related variables are always initialized to avoid issues with the DomainOMP class. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/da6e576ffd0eee5c99d87b684b8322e52c8197dc silence warnings about unused variables and parameters, minor tweaks 2019-05-05T10:17:45-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f163d7dc9b8a779bb486b2ff162e529d86b76b7c typo fix 2019-05-05T08:56:15-05:00 Mingjian Wen wenxx151@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a354b52e3c252eef654c711275b4bac165abd913 Merge pull request #1 from akohlmey/pair_drip 2019-05-05T08:41:51-05:00 Mingjian Wen wenxx151@gmail.com Pair drip updates required for merging into LAMMPS upstream https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0a4b0cf01909c3f9a1302fd4e42c42ea5eba3e77 add pair style drip to .gitignore 2019-05-05T09:20:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4d4219ca3e5e4b071ae173560ece19a22fc90c05 integrate drip pair style more closely into manual 2019-05-05T08:59:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d86a7b95de08fd666f682cae8245ddd413c9dfdc fix spelling issues 2019-05-05T08:48:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/db54b0375172f62562562f40cf5bdbc6665a8734 Force line length to 80 2019-05-04T22:55:22-05:00 Mingjian Wen wenxx151@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/24e41bc0857d67c101dea6e4dc187fe44d5251aa Update doc and examples due to the change of parameters 2019-05-04T22:24:05-05:00 Mingjian Wen wenxx151@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c28cf9f742e1f2ba7ad73cea9a3515ec6587fb4f set variant flag in USER-INTEL (AI)REBO(-M) styles 2019-05-04T20:53:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fd3eade6d27920a2f0080e213f0da6dcfb316794 update reference date and examples for changes in REBO 2019-05-04T20:42:36-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1214e6ea79c6a16be31a8b4e343b96c6b4838140 align USER-INTEL versions of REBO/AIREBO with MANYBODY implementation 2019-05-04T20:08:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c2b2be5d6f79681ab95d9f11d5bd565ad8cec104 Merge branch 'master' into github-rebo-bugfix 2019-05-04T19:09:52-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/81d3fa77bb020ea20752e0ebd9a6d2ada77dd977 Add missing molecule_flag=1 in atom_vec_bond_kokkos 2019-05-04T17:42:21-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a7226bd93d9973e37f3e5bcf30fdb712c3debb1a remove unused variables 2019-05-04T15:12:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/66f7f2a5ef786ef97f86805cff22ceaf91631afa pass more cmake settings to LATTE downloaded library build 2019-05-04T15:11:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a70f9c4f954667539526198026e5836a8cdfe14c support using a variable instead of a constant interval for fix print 2019-05-04T13:47:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3baf15ed6f91c105e451680e1e2e453c05b6a361 apply bugfix from PR #1446 to allow switching from variable thermo output bac... 2019-05-04T11:35:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d7dd78126c6423d6ecbdec7a93f505272fcbe0b3 Homogenised label of relative hbond and stk strength to conform with oxDNA li... 2019-05-02T16:48:41+01:00 Oliver Henrich ohenrich@users.noreply.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/97ce76e759af947a1e71fc35788b11a0358923a9 Merge pull request #1444 from akohlmey/fix-intel-lrt-bug 2019-05-01T16:19:37-04:00 Axel Kohlmeyer akohlmey@gmail.com CMake update for verlet/lrt/intel https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d7da1db745128ed3c10c78d73613f88a8ed6a492 teach CMake that verlet/lrt/intel depends on KSPACE 2019-05-01T08:20:24-04:00 Axel Kohlmeyer akohlmey@gmail.com