lammps:62bfd300f0a7ea8ee5efb2324f42affed303c481 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/62bfd300f0a7ea8ee5efb2324f42affed303c481 2019-04-16T13:43:02+02:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/62bfd300f0a7ea8ee5efb2324f42affed303c481 Gitignore update 2019-04-16T13:43:02+02:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/05f739a5a007d3da97cf7b89b6ec83df3890b7fc Bugfix for WCA-only option (trivial) 2019-03-03T01:55:02+01:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/14353c5ea52ff3780873ad93821838dcae46f387 Added WCA-only option (sigma == cutoff case with wca) 2019-03-03T01:52:43+01:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ea7d733e8eab688c29948d45e61536f367b4ee2 Initial commit... 2019-02-21T02:17:19+01:00 Eugen Rožić erozic@zoho.eu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/52d3b9f325e58376d7f64b200ba42f17a28b2e37 Merge pull request #1 from erozic/bugfix-library-scatter-subset 2019-02-21T01:14:57+01:00 Eugen Rožić erozic@zoho.eu Fixed bug in lammps_scatter_atoms_subset... https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b38033bc590a4131978b6eb1dfa957aed346552f Fixed bug in lammps_scatter_atoms_subset... 2019-02-21T01:07:46+01:00 Eugen Rožić erozic@zoho.eu - ids was ignored for the single-value integer arrays (e.g. type, id, ...) https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/12bec9cbad1b1ac53d63a6e283d850cdb8294f56 Merge pull request #1339 from pmla/ptm-update 2019-02-18T19:43:31+01:00 Axel Kohlmeyer akohlmey@gmail.com USER-PTM package update https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9207b8814edbba42024ee9435333a0569ad44297 Merge pull request #1341 from rbberger/cmake_detect_changes 2019-02-18T08:18:47+01:00 Axel Kohlmeyer akohlmey@gmail.com Fixes part of issue #1278 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0a410aa963dee4914d06377d16f8641aa5036cd replaced manual allocation with std::vector 2019-02-17T23:17:37-05:00 pmla pete.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f25b06fab0d999b43483159189fb1f9a2200f398 Fixes part of issue #1278 2019-02-17T20:53:21-05:00 Richard Berger richard.berger@temple.edu Moving a style header or touching it will now trigger a reconfiguration before building, which triggers style files to be regenerated. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d5fd423496c4d18c7710f37fd5684ed17b102f9b silence compiler warnings 2019-02-16T13:52:40-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3a34c6f17a7ad94e3fe0a2db8494720df1fb1e68 use c++ style include files throughout 2019-02-16T13:42:38-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9168df575abf63926b662f23b4e45b8177410ffa replace (evil) tabs with blanks 2019-02-16T13:41:04-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6724ebbdc1da7c84cae271ccc68e27d42468bbc4 remove trailing whitespace 2019-02-16T13:31:38-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/551e7a5943e4ae479b1825b4061d277f45d63a0f added contact address 2019-02-15T19:42:28-05:00 pmla pete.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bae2e61fa03a2a2d1c2232d98328b0106d1a2d0b documentation bugfix 2019-02-15T19:40:37-05:00 pmla pete.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8a28046b4c5662db1aa0c196e14f86b4e2e64278 typo in PTM docs 2019-02-15T18:52:40-05:00 pmla pete.mahler.larsen@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/35d2de298f42bb43b0f5cbbbbfa63f0e16492a67 added license information to all files 2019-02-15T18:49:23-05:00 pmla pete.mahler.larsen@gmail.com updated documentation added example file added graphene structure https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a8cee136fec5357cb65b72bb2d5160d79cfdfde9 Merge pull request #1338 from akohlmey/fix-bug-in-compute-reduce 2019-02-14T23:19:38+01:00 Axel Kohlmeyer akohlmey@gmail.com revert broken changes to compute reduce https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e8d56d3ea605878c645de5d6b41ddf32c2ebf00e revert broken changes to compute reduce 2019-02-14T16:22:52-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c8f113f4a6b597b7cfa5566679caa301c61292a0 Merge pull request #1333 from jrgissing/bond/react-revert_bond_forming_behavior 2019-02-14T18:24:49+01:00 Axel Kohlmeyer akohlmey@gmail.com Bond/react: revert bond-forming reaction behavior https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/14667749c69d2c0beb72968799dcf20f0f6ba239 Merge pull request #1332 from jrgissing/bond/react-C++11-compliance 2019-02-14T18:24:32+01:00 Axel Kohlmeyer akohlmey@gmail.com make fix bond/react c++ standard compliant by eliminating variable length arrays. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d08979737c5559571a79c6ee92547b9a9c73da4b bond/react:partially_revert_bonding_atom_choice 2019-02-13T22:56:56-07:00 jrgissing jrgiss05@gmail.com choose closest eligible bonding partner, unless directly bonded (in which case we assume a bond-breaking reaction) https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/13f1c7d2d72e69eea5a4359741fda4fa30e153e6 bond/react_VLA_compliance 2019-02-13T20:42:52-07:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b7ee3606db5bace3923d9eff935f4f9530bab975 Merge pull request #44 from lammps/master 2019-02-13T20:01:34-07:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/34d42091976b37e51d216fa42a1b1d8bd7cf72c3 Merge pull request #1331 from akohlmey/collected-small-changes 2019-02-13T16:47:27+01:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/528e6632ed636c9404362f57a1dbe1702111cf12 OpenMP doesn't use "version #.#" with their specs, but just OpenMP #.# 2019-02-13T10:41:43-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eaf2ca9c84365dac788175d8dd475515a472815c Merge pull request #1272 from lammps/utility-functions 2019-02-13T16:30:46+01:00 Axel Kohlmeyer akohlmey@gmail.com Add library of utility functions to make LAMMPS code simpler and more consistent. This is the first part of multiple pull requests that will add some more of these functions and will apply them to more of LAMMPS. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a645278d6bbe6cfe0739e616383fb71ac1eeb974 Merge pull request #1325 from Adrian-Diaz/shrink_wrap_tiled 2019-02-13T16:28:58+01:00 Axel Kohlmeyer akohlmey@gmail.com Support shrink wrap boundary condition when reading data files with comm tiled enabled https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9ac908f05f0135a3aabc6580b1297f46e456688e switch download server for voro++ from LBL to download.lammps.org, which seem... 2019-02-13T09:53:20-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/581b7d354371aff8b241863ed7a790b3fc759188 update list of false positives after docs changes 2019-02-13T09:23:54-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8bed429ab7c13bafac990bcc7266fe3f5449d54c reduce warnings due to signed/unsiged comparisons 2019-02-13T07:42:25-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/393948f3639ecfd2c4f6eb863328ee78c7bc39a4 dead code removal and compiler warning silencing 2019-02-13T07:42:25-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cf86334f43b4f01c2d91749e5debc98c0b8637ee using int instead of size_t should be more efficient and range doesn't seem t... 2019-02-13T07:42:25-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/76533b1572f916ddda1b90bbca882c6ed4fec367 remove dead code and silence compiler warnings in USER-YAFF package 2019-02-13T07:42:24-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/38b003261d568efb2d5f65356f75117fd3545046 silence compiler warnings about unused parameters in USER-OMP package 2019-02-13T07:42:24-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/24ff914e5ab3f00dab557802331f423cf5d556dc silence compiler warnings about unused parameters in the GPU package 2019-02-13T07:42:24-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6200fde93ce3d20ea3d1d573d5a7793071fbab9 add one more OpenMP version string 2019-02-12T12:17:36-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82187eaac3b49a8ef53880f569fcc18cb46e36d5 fix stupid typo 2019-02-12T11:34:26-05:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/36ad48b259244184acc478f3b8b9f2866e9bf63a add OpenMP version detection and info output 2019-02-12T11:28:52-05:00 Axel Kohlmeyer akohlmey@gmail.com