lammps:d01b0ed543de5bbe58ed4f797c1ae8fc992befed commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/d01b0ed543de5bbe58ed4f797c1ae8fc992befed 2020-02-17T11:31:43-05:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d01b0ed543de5bbe58ed4f797c1ae8fc992befed Merge pull request #1882 from agiliopadua/docs 2020-02-17T11:31:43-05:00 Axel Kohlmeyer akohlmey@gmail.com Convert documentation of compute_fep, pair_fep_soft, pair_nm to mathjax https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0e2604fc80519d92ba3391249d48b9f8442e832d Convert documentation of compute_fep and pair_fep_soft to mathjax 2020-02-15T16:19:39+01:00 Agilio Padua agilio.padua@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d467bcc7408d0cb772d3a582b6618ea707fe0fc Merge pull request #1876 from Vsevak/tip4p_gpu_sharedtypes 2020-02-12T11:11:17-05:00 Axel Kohlmeyer akohlmey@gmail.com TIP4P GPU kernel: shared memory optimization https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/10a76affd42436858ea1948f216f0eccb09c282b Merge pull request #1877 from ellio167/openkim-models-docs 2020-02-12T11:08:25-05:00 Axel Kohlmeyer akohlmey@gmail.com Add openkim-models install instructions https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cf67c16fcbb0658d6653dfb5429589d3ee9cda9e Add openkim-models install instructions 2020-02-11T22:33:56-06:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d024b3d34045963277f628dc00806a5687ebde29 Add shared memory optimization 2020-02-12T01:35:44+03:00 Vsevak thevsevak@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0935feabec215c42a60f007e6b4e48fd0d9db9e Merge pull request #1868 from akohlmey/next_patch_version 2020-02-03T11:50:12-05:00 Axel Kohlmeyer akohlmey@gmail.com Step version strings for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/966bc626fc4681d59ef602cfb65b399731668efc Merge pull request #1858 from akohlmey/fft-consistency 2020-02-03T11:14:16-05:00 Axel Kohlmeyer akohlmey@gmail.com Improved consistency and thread support in FFTs https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f95428ee5eaa5d9ae163c76945df786a01721221 Merge pull request #1867 from akohlmey/doc-convert-to-mathjax 2020-02-03T11:11:33-05:00 Axel Kohlmeyer akohlmey@gmail.com Convert more documentation to use embedded math expressions https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b71e41dc8ac4278995f34a4cd0cb4d8bdce33411 minor fixes 2020-02-03T10:48:04-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1827ce1d32e86ff473974eb8bfd8b25539ca4699 update dynamical_matrix docs 2020-02-03T09:01:31-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/73364404a159039fd59de47820d867ac323d6ad0 Step version strings for next patch release 2020-02-03T07:18:31-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ecf30b47a0bde3d7b4d3966c8477c484266c6c25 Convert and revise a few more files (minimize, neb, tricilinic) 2020-02-02T22:35:39-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fde2a59b0eba533f279dc105c142423137419cff update documentation for contributing files and building the manual to using ... 2020-02-02T19:05:35-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5b557ca4c8b8b73dcdbca23a811faeea7b37fd0b remove references to .txt files for building the documentation 2020-02-02T18:50:49-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8ef3d77724bd3f5c29c2ae5238d3d4c859fb33ba Convert documentation of improper styles from images to mathjax 2020-02-02T18:22:40-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/949f88eb6542210c2d62491dcb1b16c4f0193ff4 Convert documentation of dihedral styles from images to mathjax 2020-02-02T17:22:54-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bbf229e8cc240b364a92fec710a33aeacfe2e837 Merge pull request #1866 from YunxingZuo/master 2020-02-02T06:55:09-05:00 Axel Kohlmeyer akohlmey@gmail.com add SNAP and quadratic SNAP potentials for six elemental systems https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0a10f5567a8d1ddb844ea37374ac5c8fcea64ba5 correct potential file format to be compatible with latest lammps 2020-01-31T21:04:03-08:00 YunxingZuo zuoyunxing@mail.nankai.edu.cn https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/01a6608fb64c1c8943173ff6e5f9873bb74ad4a3 add SNAP and quadratic SNAP potentials for six elemental systems 2020-01-31T19:30:02-08:00 YunxingZuo zuoyunxing@mail.nankai.edu.cn https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2b6a0223098cbe7e8d2cb4885e222da969138a00 Merge branch 'master' into fft-consistency 2020-01-31T20:51:58-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dd91d519e1b41c22a791ef558b50824da20d9e74 Merge pull request #1703 from jboschen/nwchem 2020-01-31T20:50:51-05:00 Axel Kohlmeyer akohlmey@gmail.com add NWChem wrapper to client/server mode for AIMD https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5983c2a87d1293c501e5d12fce09ebdbcaea9e36 Merge pull request #1864 from akohlmey/doc-remove-redundant-links 2020-01-31T17:32:51-05:00 Axel Kohlmeyer akohlmey@gmail.com More documentation ReStructuredText cleanup https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/472fe8216ffa1778a4de5283e3cda502f0d8b6bf address spelling errors 2020-01-31T16:54:27-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b66717d8cb6cb046470699c5266e63f3f003a469 add one more missing link 2020-01-31T16:40:41-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a9a2a9fef95ce684eace5959d3c1ed33a2aae674 provide updated information on how to report bugs on github or via e-mail 2020-01-31T16:39:34-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f386598c54d51b257a1cc68aac4a44195dba0c4f restore missing links 2020-01-31T16:39:09-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1a4e6228a257860e7377dba73a2450c478f0da94 add false positive 2020-01-31T15:59:26-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/21a80e9b5022cf10c60f6beb5dfbddcd15d46dad fix typo 2020-01-31T15:57:52-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8fd2ab78f107d68ad6dc31f09e380c8b46069a58 Merge branch 'master' into nwchem 2020-01-31T15:56:25-05:00 Axel Kohlmeyer akohlmey@gmail.com # Conflicts: # doc/src/Howto_client_server.rst # doc/src/server_md.txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/97addd2beeac7c6847d43eca5d621defb22f79e4 Merge branch 'master' into doc-remove-redundant-links 2020-01-31T15:39:25-05:00 Axel Kohlmeyer akohlmey@gmail.com # Conflicts: # doc/src/min_modify.rst # doc/src/min_style.rst # doc/src/minimize.rst https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/947827fe1fc5e1c00c1816546e20ccaf07eb21f7 Merge pull request #1052 from jguenole/adaptglok 2020-01-31T15:24:00-05:00 Axel Kohlmeyer akohlmey@gmail.com Optimized implementation of FIRE https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0f37e641ebd7f7539c9a9ac8c24148dae6ae6d99 restore one global definition of previously removed links, that are still in use 2020-01-31T14:09:12-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3169ef772b524da1aa68fba6a0c6009170c3d30c delete superfluous horizontal line plus preceding empty lines at the end of d... 2020-01-31T14:06:14-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cdf2f66c0a75a82953cb38b509726d455742f431 delete empty lines at the end of files 2020-01-31T14:03:52-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce10fd01a8cba6a0143b025e8b17b4cce85a3b7f remove redundant/obsolete link definitions 2020-01-31T14:00:53-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b524db88a3dd30fb6da30f93de451bf9cca46beb Merge remote-tracking branch 'github/master' into adaptglok 2020-01-31T12:24:59-05:00 Axel Kohlmeyer akohlmey@gmail.com # Conflicts: # doc/src/min_modify.rst https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/56ff70de70591508196c8d3b61a364cf25a19afb Merge pull request #1860 from akohlmey/collected-small-changes 2020-01-31T12:21:17-05:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/39188da85ba67a2ff42813fcb4c79289f5dd4e7a Merge pull request #1857 from ohenrich/user-cgdna 2020-01-31T12:20:57-05:00 Axel Kohlmeyer akohlmey@gmail.com USER-CGDNA: Increased tolerance for fatal error in FENE bond https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/710929da1d09e711f2bea91bd56e78bfb124d841 Merge pull request #1861 from akohlmey/doc-link-escape-removal 2020-01-31T11:00:27-05:00 Axel Kohlmeyer akohlmey@gmail.com Documentation link formatting cleanup and fixup