lammps:d7da1db745128ed3c10c78d73613f88a8ed6a492 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/d7da1db745128ed3c10c78d73613f88a8ed6a492 2019-05-01T08:20:24-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d7da1db745128ed3c10c78d73613f88a8ed6a492 teach CMake that verlet/lrt/intel depends on KSPACE 2019-05-01T08:20:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4f3c87f8c44ba2593a30421fb9e85097280770b0 Merge pull request #1423 from akohlmey/next-patch-release 2019-04-30T19:52:35-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/02d5f17a18e05f42eb12eacc89963c9b543b739e Merge pull request #1437 from lammps/gpu_cmake_bugfix 2019-04-30T19:05:59-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix GenerateOpenCLHeader CMake utilitiy to avoid uncompilable CL code https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7fbd409f5b6c3fa342a3e288a248121d4fbec2c6 Fix GenerateOpenCLHeader CMake utilitiy to avoid uncompilable CL code 2019-04-30T12:59:27-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/faa0da99762d4d298afd3ab4d7c8840e4088ffac Merge pull request #1434 from ellio167/reaxc-multi-instance-fix 2019-04-30T12:03:43-04:00 Axel Kohlmeyer akohlmey@gmail.com Reaxc multi instance fix https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e08080cae5949e25e4ef7a2b9431ac8b38fd3cd2 Merge pull request #1436 from rbberger/gpu_opencl_bugfixes 2019-04-30T12:02:52-04:00 Axel Kohlmeyer akohlmey@gmail.com GPU package bugfixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7b7f405d2cfc8b446dc9f095682bea542e836ff2 Merge remote-tracking branch 'origin/master' into gpu_opencl_bugfixes 2019-04-30T01:39:19-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/66d94572e02487f5b9b6d98a34b8088d7730a56d Add missing includes to OpenCL CMake builds of re_squared and tersoff kernels 2019-04-30T01:37:27-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8145c5028d01120321ff41ec9ab85aed50ee8792 Fix OpenCL compilation errors due to bad comments in macros 2019-04-30T00:44:12-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0005ee3e936f899e64da93f7d3bc93e5cdf8af0d Merge pull request #1435 from akohlmey/collected-small-changes 2019-04-29T20:19:50-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8d9697dbf60d468917441dce6a1937361a25bf85 Merge pull request #1420 from dsbolin/gran_mods 2019-04-29T14:16:25-04:00 Axel Kohlmeyer akohlmey@gmail.com Updates and bugfixes to GRANULAR package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f05250901521b60abc773378abc3c73ee32cf86d Merge pull request #1421 from julient31/gneb_spin 2019-04-29T14:14:58-04:00 Axel Kohlmeyer akohlmey@gmail.com Adding a GNEB implementation in the SPIN package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/97baee49319f82e484fab84d26596ee94f7117c0 Commit2 JT 042919 2019-04-29T08:23:57-06:00 julient31 julien.tranchida1@gmail.com - modified energy/torque tolerance for faster convergence in examples/SPIN/gneb/skyrmion/in.gneb.skyrmion https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/96e51d11ad73e3cc837298bfcd75ad2b203156b3 equilibrium angle must be converted to radians in angle style table 2019-04-29T10:09:33-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0bb2e004abdc1cf2d0ee651fea559bf2d9af1d6d Commit JT 042919 2019-04-29T08:08:56-06:00 julient31 julien.tranchida1@gmail.com - corrections Axel 1 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/98daf8f8250685e5edd95273f9b1ca74bbadb66c optimize granular examples and include logs 2019-04-29T09:48:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/af8a71b1ad0a83dc8f9d073869e0668d21992a69 while space and source formatting cleanup 2019-04-29T09:17:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0fac0e18d15392fd78ce0eddc6bc49fe54949cda no need for libm or GSL to compile the interpolate code 2019-04-27T17:50:12-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8102fdcf24b073fb58e01012d9c147f9dc732a7e make sure r3inv is initialized when lj and coul cutoff are different 2019-04-27T14:51:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d9e85d840c414412913bd126fdc2dfea00284ae make sure r6inv is initialized and not computed multiple times 2019-04-27T14:43:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d190b76075df87b9776ea3df28735e75a75cb0e0 remove unused custom constructor 2019-04-27T13:22:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/930748f6f26306acfe05f498cf767d16ccd0d18a change neb/spin class names to better match the conventions used in the rest ... 2019-04-27T13:16:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6fc2bda01c251043695c9b5583230d75e5754e4a some whitespace cleanup 2019-04-27T07:52:25-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c6e1e2448c8d8145b51350d41030a9fbff1d368 fix python package issue updating the time stamp on the wrong file 2019-04-26T15:52:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/809bd3d1bb45874ce0e7e8d0cbe17dbad8a4cc8f update .gitignore for recent additions 2019-04-26T15:52:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d9fc4a152b9d0189695ab0c3d8ec1bfec41c9049 simplify handling of fix id for fix reaxc. remove shadowed variable. 2019-04-26T14:25:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0e7d647aebbb64f02959b4d071b431d35bec555e Switch to sprintf() instead of std::string etc. 2019-04-25T16:50:17-05:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ceff147fc01c86c7f66692756bb73bbc869bec0d Merge pull request #1427 from e-kwsm/fix-typo 2019-04-25T17:01:17-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix typo [skip ci] https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8d9a44a8377798c5a1617b1d4432984abe259a23 set april 30th for next patch release 2019-04-25T16:55:46-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3d7b52b80dd93a666102dd0459c78910724ec92 Merge pull request #1431 from Adrian-Diaz/print-error-messages 2019-04-25T16:51:37-04:00 Axel Kohlmeyer akohlmey@gmail.com flushing screen and logfile stdio buffers to see more error messages for error->one calls https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c55174ac1d0eda0e93bdd4c024eb5a7f88f8919e Merge pull request #1424 from julient31/setforce_spin 2019-04-25T16:37:41-04:00 Axel Kohlmeyer akohlmey@gmail.com Adding a fix setforce/spin to the SPIN package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b93d9e6f7f19ff0bfc07d2fe1426eb27495f178f reaxc: Fixes to allow multiple object instances 2019-04-25T10:44:08-05:00 Ryan S. Elliott relliott@umn.edu Move LR into system structure Make fix_reaxc have unique id for each instance closes #1432 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/16fd5904edd2d0b7c98cd59275312860f22be9c4 Commit2 JT 042519 2019-04-25T09:31:57-06:00 julient31 julien.tranchida1@gmail.com - slight correction in doc/src/command_list.txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7c3f619e137b6952078bf6c431b0d9a2848838fd Commit JT 042519 2019-04-25T09:18:33-06:00 julient31 julien.tranchida1@gmail.com - moved examples/SPIN/gneb/interpolate/ toward tools/spin/interpolate/gneb - added gneb in the command files in doc/src - modified the error messages in neb_spin.h/cpp https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6088f2a6a2da17e9776786bd861892cc0de7f8ef One more bug in pair_granular.cpp, where JKR cutoff was incorrectly computed.... 2019-04-23T22:58:42-06:00 Dan S. Bolintineanu dsbolin@sandia.gov One more bug in pair_granular.cpp, where JKR cutoff was incorrectly computed. Thanks to Ishan Srivastava for finding this one https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0673f6f2b9a3073cec7663ba3f0f0091161566c1 Fixes a bug in pair granular that caused JKR cutoffs to be set incorrectly... 2019-04-23T15:52:32-06:00 Dan S. Bolintineanu dsbolin@sandia.gov Fixes a bug in pair granular that caused JKR cutoffs to be set incorrectly when multiple types with multiple cohesion values are used https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/37d84de09c4b1b8a1def021b655eb773fa23bd74 flushing buffer to see more messages for error->one calls 2019-04-18T15:55:21-06:00 Adrian Diaz adriandiaz1117@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ebee2b588c38591145d3ba27be02e182e7516b6c Merge branch 'gran_mods' of github.com:dsbolin/lammps into gran_mods 2019-04-16T17:00:10-06:00 Dan S. Bolintineanu dsbolin@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4b2388339e98f07b268333b11e1275db82d8896a Fixes bug in calculation of relative tangential velocity for granular wall pa... 2019-04-16T16:59:21-06:00 Dan S. Bolintineanu dsbolin@sandia.gov Thanks to Andrew Santos for providing a test case that reveals this. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1d4372c24db0291f4b030f2f8a011c5d27e126a2 Fixes bug in calculation of relative tangential velocity for granular wall pa... 2019-04-16T16:40:41-06:00 Dan S. Bolintineanu dsbolin@sandia.gov