https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/edc756a65f76ca56d7dd9a3bf567d7b8cf4a18712017-07-21T17:13:28-06:00https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/edc756a65f76ca56d7dd9a3bf567d7b8cf4a1871LICENSE: update address of Free Software Foundation2017-07-21T17:13:28-06:00Christoph Junghansjunghans@votca.orghttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/43393799487783098575ef4a1de654ad32369fe7patch 6Jul172017-07-06T13:58:26-06:00Steve Plimptonsjplimp@sandia.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/87af3b1fd9823d8ef178cf9b162711447e9051ecMerge pull request #564 from lammps/fix-external2017-07-06T08:58:20-06:00sjplimpsjplimp@sandia.gov
bugfix for fix mssthttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0423971205006fa83b3f377297ff8abdb10a0189whitespace cleanup2017-07-06T00:24:00-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ee7c6f5caa80f2b3af1563a072bfd566b399b1fremove code without effect2017-07-06T00:23:50-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7f63c09667ffd6037492704a88cae479d802df4ecorrect comment for Fix::ev_setup()2017-07-05T22:35:58-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a5234d7aeaf5ad99ac2588b8f6bbacfe257c6ccbfix bug reported by richard berger via...2017-07-05T22:34:34-04:00Axel Kohlmeyerakohlmey@gmail.comfix bug reported by richard berger via https://ci.lammps.org/job/lammps/job/master/job/regression/160/testReport/junit/examples/msst/msst/
https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/be8360ac4bd8b0d02586358dc6d1c9417d707e5cMerge pull request #562 from lammps/fix-external2017-07-05T14:46:10-06:00sjplimpsjplimp@sandia.gov
additional fix external hooks for calling programshttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4de9cec1b63b5c4021067b8bdcd2644eb87d617bmake old_velocities allocation safer while retaining the test for nlocal2017-07-05T16:22:39-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/09ad29342555ac298ad7c74ddf377006084936feremove dead code2017-07-05T15:04:35-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e625e7917190860a121e130f6b6dc5bd4a77fa16safer handling of processors w/o local atoms2017-07-05T15:04:27-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f1088a5003ddac3326e893b6e474041a3c08f1bbchanges requested by @sjplimp2017-07-05T15:03:58-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ea4f16bd79df5a09cd46bb598592f938a6de1bd2additional fix external hooks for calling programs2017-07-05T10:01:19-06:00Steve Plimptonsjplimp@sandia.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d0a397d6cb2ed7ae99ddd4dd9977c447990e0902Merge pull request #559 from lammps/fortran32017-07-03T14:50:33-06:00sjplimpsjplimp@sandia.gov
3rd variant of Fortran wrapper for DFTB+ calling LAMMPShttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f670dba3d019a8333de93c178da9c716a46db6243rd variant of Fortran wrapper for DFTB+ calling LAMMPS2017-07-03T14:24:16-06:00Steve Plimptonsjplimp@sandia.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6fc0a94e87832e2b574132d198bd8455e1edcf9eMerge pull request #524 from martok/package-meamc2017-07-03T12:30:01-06:00sjplimpsjplimp@sandia.gov
Package USER-MEAMChttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5c0c8bb4cdbc5587e1e74c4c5eb2fc5963ac982dMerge pull request #558 from lammps/intel2017-07-03T12:25:12-06:00sjplimpsjplimp@sandia.gov
memory allocation bugfix for USER-INTEL pppm from M Brownhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9eeb97b039f729a74ebb32483ee5895e939cff21Merge pull request #544 from akohlmey/tip4p-triclinic2017-07-03T12:24:18-06:00sjplimpsjplimp@sandia.gov
Correct handling of triclinic box support in pppm/tip4p and pppm/tip4p/omphttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9ca9b5e2ffbd36034d64ae8a2e035583b3da0705add authors tag to pull request template2017-07-03T12:06:36-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/db73eca29f593d3ac1d3076e1ce958f9ca39c8b7correct example inputs for recent changes to create_bonds command2017-07-03T11:43:55-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2d1941ed9b16044d7a3960cae870847635fa1408make USER-INTEL compilable again with gcc and without OpenMP active2017-07-03T11:33:08-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e634c5a2dec82d15b420dea0d8b272b2742956f3memory allocation bugfix for USER-INTEL pppm from M Brown2017-07-03T08:53:53-06:00Steve Plimptonsjplimp@sandia.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/22f3db47232193426c050d44b848e802e0394743remove some dead code and prune argument lists accordingly2017-07-01T18:16:36-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a1574fc03d87a4b5d1b6432b6085cf218a470340remove unused variables2017-07-01T17:55:13-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d68fb1cbb82d09bc1f91712c0db7bb92efa26089avoid repeated computation of deltaik and deltajk, calls to pow()2017-07-01T17:49:14-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/060e32973ef93ae7221f7651f29af70b0d8ef7deanother speedup by folding dsij() into meam_force()2017-07-01T17:07:56-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a4a15f24bdc14b41dd86f1871e1f4122b4327e67fold screen() function into getscreen() and avoid some repeated operations2017-06-30T18:44:51-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/883b7aaa0efc55a66903b9e89e3fb103d6b21c15Merge pull request #557 from lammps/create-bonds2017-06-30T14:18:15-06:00sjplimpsjplimp@sandia.gov
add single options to create_bonds commandhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1fff30af90e7809774cc832c0da89e515260eae9update or create example outputs for meam and meam/c2017-06-30T15:30:06-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a490e04d240285f11209c1e669dcaef0bae62eb0add backward compatibility item to pull request template2017-06-30T15:07:43-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b445f8eadf67e9ab9053da8389d95389a1ce3618spell-check new additions to create_bonds doc page2017-06-30T14:59:08-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b79044d4f60fe7523f858e08523d21ce8c4ffd6cMerge pull request #554 from jewettaij/master2017-06-30T11:47:46-06:00sjplimpsjplimp@sandia.gov
Have extra/XXX/per/atom set by keyword to the read_data commandhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/711afe5062ff3a88d7acd16022be424ab60f1edaadd single options to create_bonds command2017-06-30T11:30:43-06:00Steve Plimptonsjplimp@sandia.govhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3bf2c602765fc680b69a1647899c43398bde7b99Merge pull request #553 from Pakketeretet2/USER-MANIFOLD-gaussian-bump2017-06-30T11:08:47-06:00sjplimpsjplimp@sandia.gov
Update to USER-MANIFOLD gaussian bumphttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d5119b2d753a10b3008eef9d4777c3ba8327348aMerge pull request #550 from stanmoore1/kokkos_leakfix2017-06-30T11:08:30-06:00sjplimpsjplimp@sandia.gov
Fix Memory Leak in Kokkos NeighListhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b2b621a2e18b62521972782e9bf01e0434188e9dMerge pull request #547 from akohlmey/collected-bugfixes2017-06-30T11:08:02-06:00sjplimpsjplimp@sandia.gov
Collected small bugfixes and updateshttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b5250d11f63c02a0a11a6224efe4e12e3967d3e9Merge pull request #545 from akohlmey/issue-and-pull-request-templates2017-06-30T11:06:58-06:00sjplimpsjplimp@sandia.gov
Add folder .github containing administrative files for use with GitHubhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9dad95d101401f40a0019fa9155d1ceedde063c8performance improvement through moving inlinable functions to header file2017-06-30T13:04:09-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f6faad335cf5e4be18a410944c0de0d0ec71b3cbupdate documentation for nb3/harmonic pair style according to e-mail to lammp...2017-06-30T11:37:18-04:00Axel Kohlmeyerakohlmey@gmail.comhttps://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/55487047006faad2c683c8561eb33b7a3e847050Move stateless functions to separate module, improve style2017-06-30T15:37:26+02:00Sebastian Hüttersebastian.huetter@ovgu.de
- use static/const
- return instead of ptr-parameter, &ref if more than one return
- replace macros from header with inline functions
- remove useless/old comments