lammps:4161202ef6dff55483983467f4733d4d2b0437b5 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/4161202ef6dff55483983467f4733d4d2b0437b5 2017-10-27T16:29:20-05:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4161202ef6dff55483983467f4733d4d2b0437b5 Merge branch 'comm-nprocs-opt' of https://github.com/lammps/lammps into comm-... 2017-10-27T16:29:20-05:00 knight knightc@anl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/347819a42136de89047ae137ca88da94c1263679 added comm duplicate hint 2017-10-27T15:58:31-05:00 knight knightc@anl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/23f6f5ea287a740ebea8254d72178f9e23ac67a4 Change description of bbox keyword in replicate.txt 2017-10-27T09:13:46-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7bfa3acdacf4797898776a160c1dc485a0b624fb Reformat bbox output in replicate.cpp 2017-10-27T09:06:21-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/25767484757e689f85cd8c098677971e8d192c12 Fix compiler warning in replicate.cpp 2017-10-27T08:55:17-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2e5b13c3f854d800c9cb619eb2e446c6aaa0670e provide a minimal documentation for optional flags to optimize certain operat... 2017-10-26T22:36:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f44bab7cbf13ab6982f917b0c759844ceaaf0216 rename memory keyword to bbox and change internal variable names accordingly 2017-10-26T22:19:23-04:00 Axel Kohlmeyer akohlmey@gmail.com also some whitespace/formatting cleanup to better match LAMMPS' programming style. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5a65deb044bd2bfebf3f0f65390568ab7e640081 Merge pull request #715 from cjknight/comm-nprocs-opt 2017-10-26T22:10:09-04:00 Axel Kohlmeyer akohlmey@gmail.com added triclinic support to optimized replicate command for large number of MPI ranks https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a69a99a9a1386b92337d2954e8b185f56399cbbe added triclinic support 2017-10-26T20:33:57-05:00 cjknight cjknight2009@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4a8146ad7b20a3136db4a4b440f3a82a9fb0fced import patch posted by christopher knight to lammps-users on august 21st 2017-10-25T23:24:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/39df9f5d9467cdf9e8856dc6c6a9c1dc3eb239d4 patch 23Oct17 2017-10-23T16:07:21-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/68d04119d39f7bf0889c98a0dcdcba0c9e802017 Merge pull request #707 from akohlmey/granular-omp-refactor 2017-10-23T13:35:43-06:00 Steve Plimpton sjplimp@sandia.gov Updated neighbor list history processing for USER-OMP https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0148c2ac81c622f41f957a92bd211346ae151e09 updated neighbor list history processing for USER-OMP 2017-10-23T14:12:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a7ad12491f3ec8ce73e5fc0db20062f859809d13 Merge pull request #706 from lammps/doc-cs 2017-10-21T16:12:23-06:00 Steve Plimpton sjplimp@sandia.gov update to doc pages for new coreshell pair styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2137be32197a255c031a0a88c2b222bc6227a51d update to doc pages for new coreshell pair styles 2017-10-21T15:50:27-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce78f6943d5986db5a8079d44ccd98cf6e9e4e82 Merge pull request #705 from akohlmey/fix_rigid_bugfix 2017-10-20T17:01:50-06:00 Steve Plimpton sjplimp@sandia.gov fix segfault bug in fix rigid/small found by regression testing https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/998aedc6c14201fa14d7dbf9ae9c9c548c41e062 Merge pull request #670 from vishalkenchan/pair_style/coul_wolf_cs 2017-10-20T16:09:33-06:00 Steve Plimpton sjplimp@sandia.gov add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0a02c3c78c6034408097122812181ed603cbe1c9 fix segfault bug for in fix rigid/small found by regression testing 2017-10-20T16:56:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aaf5e87c84f5747b86f0db0787e1de1211afe414 Merge pull request #703 from akohlmey/custom-rigid-body-generation 2017-10-20T14:08:15-06:00 Steve Plimpton sjplimp@sandia.gov Allow rigid body generation from custom properties https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2d0f5e277cf134c05258a769dc0f324e07a6c27c Merge pull request #704 from akohlmey/bond-gromos-bugfix 2017-10-20T14:06:35-06:00 Steve Plimpton sjplimp@sandia.gov Compute energy correctly for bond style gromos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/260bbc6f9fea10f7cc215f059f36ff54b1d651e3 Merge pull request #702 from giacomofiorin/colvars-fix-the-fix 2017-10-20T14:06:15-06:00 Steve Plimpton sjplimp@sandia.gov Fix a Colvars error that was hidden by the previous segfault https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6b34a305286f2302b1cc263a4101289070f8c3f0 compute energy correctly for bond style gromos 2017-10-20T14:53:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/83c7d3a1d2e64ef5dfa14515ac6c596b1ad7627e update fix rigid documentation 2017-10-20T14:18:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/961b97637479837393a95e5146eb43012cf811c7 add/correct code to define rigid bodies with atomstyle/atomfile variables and... 2017-10-20T13:56:09-04:00 Axel Kohlmeyer akohlmey@gmail.com add/correct code to define rigid bodies with atomstyle/atomfile variables and via custom per-atom properties https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac6434e4968181ca458349466e46bf1cfa0fa7ed add input examples for custom rigid body definition 2017-10-20T13:54:45-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f479f025897dcdad50ea4f488908a92062dfe5d9 Fix a Colvars error that was hidden by the previous segfault 2017-10-20T13:41:31-04:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e284545c5b996596cb49e03b8f5cd6c6c3604b8a added some documentation and reference example 2017-10-20T12:03:22+02:00 vishalkenchan vishal.boddu@fau.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e368acdaeb2251d28d7ff14b68d6b99e527fe817 Merge pull request #700 from giacomofiorin/colvars-fix 2017-10-19T11:45:36-06:00 Steve Plimpton sjplimp@sandia.gov Import segfault fix in Colvars module https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6e7504f15328576112eb80f26e68a31945e429aa Import segfault fix in Colvars module 2017-10-19T08:09:44-04:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/71c4edda51da7a11287eab3ccb48ef2a00c6bfb9 add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package 2017-10-19T13:21:13+02:00 vishalkenchan vishal.boddu@fau.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/40147a7a64f781e12f2517caf8241bdd1b1e8767 Merge pull request #699 from lammps/doc-update2 2017-10-18T16:44:18-06:00 Steve Plimpton sjplimp@sandia.gov cross ref fix deform and new fix nvt/uef in doc pages https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f709a723cd9747ff3d70d20d0931685bf974530d cross ref fix deform and new fix nvt/uef 2017-10-18T15:26:15-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6dd55e49cbc458237ed056b8e2ab1bddfa1644b3 Merge pull request #698 from lammps/doc-update 2017-10-18T15:24:54-06:00 Steve Plimpton sjplimp@sandia.gov small updates to recently added docs and rename of an example dir https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/281b1dc375712876d469dbbd0f1431d198120b55 small updates to recently added docs and rename of an example dir 2017-10-18T14:56:47-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e93f8f88897552ca93f58907ca326065f0e13b4b Merge pull request #671 from danicholson/user-uef 2017-10-18T13:38:56-06:00 Steve Plimpton sjplimp@sandia.gov USER-UEF package for extensional flow https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/35f2cfa0bfafa064325a3eb8acc86d3627c6a33a Merge pull request #669 from urpedersen/master 2017-10-18T13:31:15-06:00 Steve Plimpton sjplimp@sandia.gov fix rhok - biasing long-range order https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e44196c01133ab7b8a5b43de2b2770c3d069f391 Merge pull request #694 from akohlmey/bond-gromos 2017-10-18T13:27:15-06:00 Steve Plimpton sjplimp@sandia.gov Add gromos bond style https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fe1d1b904516fe8045fede5fc00f182ff459229 Merge pull request #697 from andeplane/fix_heat_bug 2017-10-18T13:26:19-06:00 Steve Plimpton sjplimp@sandia.gov Avoid checking region when not specified https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b1b4a52b14e255597d8af2237dc44fa9056ec950 Merge pull request #695 from timattox/USER-DPD_small_updates 2017-10-18T13:25:48-06:00 Steve Plimpton sjplimp@sandia.gov USER-DPD small updates https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/382de50341882991323b8b148a93a7a41f5e635c Merge pull request #696 from wmbrownIntel/intel-update-oct17 2017-10-18T13:25:07-06:00 Steve Plimpton sjplimp@sandia.gov Bug fix for unexpected case where a Intel bonded style is specified but there are no types