lammps:8fd1aaba7e13ee85bee1015ff3ec954b887ed116 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/8fd1aaba7e13ee85bee1015ff3ec954b887ed116 2019-06-25T06:00:06-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8fd1aaba7e13ee85bee1015ff3ec954b887ed116 Merge pull request #1535 from evoyiatzis/class2 2019-06-25T06:00:06-04:00 Axel Kohlmeyer akohlmey@gmail.com Implementation of inner/middle/outer compute methods for lj/class2/coul/long https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/50e76ff7a1369efdb1c6238d0c937d802db10f6f restore virtual keyword and empty lines in comments 2019-06-25T05:59:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/423eebda25f381c0cdd6a9e17815204c3081811c restore header 2019-06-25T05:57:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f6842e643e43666164d0910065bbcd3a09028765 Merge pull request #1525 from akohlmey/collected-small-changes 2019-06-24T23:55:50-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and fixes for the next patch https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f7c4fb66846015e08cc0b293a963346377d3e1e Merge pull request #1534 from uihsnv/archlinux_pkg 2019-06-24T23:55:09-04:00 Axel Kohlmeyer akohlmey@gmail.com Archlinux install documentation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a36d2573cffef6e5cfe3b5b46d581a955941e821 make certain, we are not mixing cutoff and long-range coulomb when looking cu... 2019-06-24T09:10:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8b49cac86a4dc1f9b484e33a744e7e41aa9055ef correct dimensionality of cut_coul property in Pair::extract() 2019-06-24T09:09:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2159a8c44a45330f04283b860a6decc04db800a6 Arch specific words 2019-06-24T16:14:29+05:30 Vishnu V. Krishnan vishnugb@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e93881e44977907fcf321e427416f765aca8b34 store compute_tally array in restart and read it back. fix memory leak. 2019-06-24T05:28:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/171d74f2f277896ee7e45a85d5aac775d0a06e3a remove class member name clashes. Pointers contains `infile` so we rename oth... 2019-06-23T16:43:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f31faafeec77fafddacf3b716ca7fc7ae37b3bbe modification in the doc file of lj/class2 style 2019-06-23T20:18:39+02:00 Evangelos Voyiatzis evoyiatzis@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3b6cc29f64a201f3a9083ed1a62e49e35ef3f46f Implementation of inner/middle/outer compute methods for lj/class2/coul/long 2019-06-23T20:16:25+02:00 Evangelos Voyiatzis evoyiatzis@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/58f9380c45bb92d35565d884b7ee31c6fb2a22b8 Archlinux install documentation 2019-06-22T19:46:21+05:30 Vishnu V. Krishnan vishnugb@gmail.com Link to #1495 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f190647ab47cf930a84764b23f4fd6735ac1e1f6 use snprintf() instead of sprintf() to avoid buffer overflows when copying st... 2019-06-21T21:23:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7a56a4be2435d2c15264da95abca26e42dae4d20 add option to pair_modify to explicitly turn off F dot r 2019-06-21T14:18:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c79044c36110efd93f79e76baaab182c106d1e81 Merge pull request #1531 from athomps/snap-yarray-tweak 2019-06-21T10:38:43-04:00 Axel Kohlmeyer akohlmey@gmail.com Added NULL initialization for snaptr https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c460d05bc628de96374bdbcf9ae81dabb0c15ac2 Added NULL initialization for snaptr 2019-06-21T00:26:44-06:00 Aidan Thompson athomps@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a01421db99f7ae87b2d42c23f7c94eeda4e61ca2 Merge branch 'master' into collected-small-changes 2019-06-20T14:38:51-04:00 Axel Kohlmeyer akohlmey@gmail.com # Conflicts: # doc/src/pair_spin_dipole.txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f1034e982d6e84bd9ab6f024a197211d1c2c0460 Merge pull request #1530 from eagunn/iss1526 2019-06-20T13:23:21-04:00 Axel Kohlmeyer akohlmey@gmail.com Minor cleanup for doc/src https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6760866f447cbc3abe90d4ff7ec42c5192e48576 integrate pair styles spin/dipole/cut and spin/dipole/long properly into docs 2019-06-20T11:49:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17bfed3590524da8ba71900ad8719e0fb81744d5 move non-LaTeX images from doc/src/Eqs folder to doc/src/JPG 2019-06-20T11:39:41-04:00 Axel Kohlmeyer akohlmey@gmail.com this also updates links in doc sources referencing them https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bc224bc66ed6e9fdf5a90ea7c2120600c31cbb18 Eliminate a doc build warning. pair_spin_dipole.txt was recently edited. Much... 2019-06-20T09:15:40-06:00 Anne Gunn agunn@sherprog.com Eliminate a doc build warning. pair_spin_dipole.txt was recently edited. Much content was removed and it no longer contained any internal reference links. But it still had a link anchor at the bottom. This was generating a build warning. I've removed the unused link anchor and an unneeded line separator. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c9fc83ef6fefbbb5dd8b94de535fe820750b1dca Move two non-equation images from Eqs folder to JPG folder 2019-06-20T08:16:20-06:00 Anne Gunn agunn@sherprog.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f54ad0966849752c1636bf89ec090ddb9c7a9a7a recreate missing LaTeX files for image-only equations 2019-06-19T17:53:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/599ef7816180f783f8b10864380c3b7bc090f7ef put dump_modify after the list of all dump variant doc pages 2019-06-19T17:13:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f8f8e441b90d818830121a669e96261beed16fc2 add missing cmake package module 2019-06-19T07:06:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bb11344424a468254c320e3cfa0cf263a1005630 Merge pull request #1522 from akohlmey/next_version 2019-06-18T22:01:42-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e754fb80a423af9c3d152e2a57f77c78e33b68f9 Merge pull request #1518 from akohlmey/collected-small-changes 2019-06-18T16:21:41-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and fixes for the next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/98fbaef406c77e138733419e54a7834ce6fcf89f workaround for ICE issue with gcc 4.8.x 2019-06-18T15:00:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d98c105d3433655fc4f0e6aeb0085f71e3f49668 step version string to 18 June 2019 2019-06-18T11:52:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/961dcfc2619d8d3b5ebc3a4e9b424e776d239e81 mention alternate build environment generators for cmake 2019-06-18T11:50:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/81cdce9b04fe4d50fe2d568baed3afccb40da2d1 flag and document that USER-TALLY computes are not compatible with dynamic gr... 2019-06-18T00:14:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/995b6b31a240a3f1315c4641764727c53858afdd flag a couple more packages that contain sub-builds of downloaded code 2019-06-17T16:05:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e9666f585f1924142e2c044c53d765806d35076d update log files for kolmogorov/crespi/full potential 2019-06-17T15:46:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f4f4a7c85013b037947e9617e237f5a67c757273 adapt for Ninja build tool, which cannot handle sub-builds and fortran 2019-06-17T14:24:51-04:00 Axel Kohlmeyer akohlmey@gmail.com so builds of downloaded libraries are not supported right now https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5fc3081a55eb0555a3bab32b11ea178f04616645 make building tools (msi2lmp, chain.x) an option, which is off by default 2019-06-17T14:23:30-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a39a35af20e1e4cd0ba5a7c9c1dcf88257cfe077 Merge pull request #1517 from jrgissing/bond/react-clarify-template-check-mes... 2019-06-17T14:14:53-04:00 Axel Kohlmeyer akohlmey@gmail.com Bond/react: clarify reaction-template warning messages https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1452d3d25b920081203057469350e496bcb581d0 Merge pull request #1516 from gtribello/master 2019-06-17T14:14:37-04:00 Axel Kohlmeyer akohlmey@gmail.com Using PLUMED to compute committor with LAMMPS https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2dea4eb0e92a6ad61034477ee45d226a401ecfbc Merge pull request #1513 from akohlmey/user-tally-vs-hybrid 2019-06-17T14:14:06-04:00 Axel Kohlmeyer akohlmey@gmail.com Make USER-TALLY compute styles compatible with hybrid pair styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d73b0790f1b3b35876b123f957b999a7b7039f8 Merge pull request #1510 from evoyiatzis/respa_class_2 2019-06-17T14:13:47-04:00 Axel Kohlmeyer akohlmey@gmail.com Implementation of inner/middle/outer compute methods for lj/class2