lammps:86153a0f772e8ab74765e8e0250df9f8a362f5b9 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/86153a0f772e8ab74765e8e0250df9f8a362f5b9 2020-08-22T15:03:27-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86153a0f772e8ab74765e8e0250df9f8a362f5b9 avoid division by zero in MathExtra normalize functions 2020-08-22T15:03:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2a6546d6f02d0dc3c944148c6bba6f1d10a5f493 Merge pull request #2296 from akohlmey/next_patch_version 2020-08-21T14:43:56-04:00 Axel Kohlmeyer akohlmey@gmail.com Update version strings for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cffc667259d67794dc5542a119e50b659e83e902 Merge pull request #2298 from stanmoore1/mv2_var 2020-08-21T14:04:57-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix MVAPICH2 env variable for CUDA/aware https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e0c74a30bc776361aac360b1d90fcfb44485fe82 Fix MV2 env variable 2020-08-21T11:08:49-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7f87ccccc882304c02e531775d24b7a5885d996b Merge branch 'collected-small-changes' into next_patch_version 2020-08-21T11:18:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3c7d59401c0c3b65290c038c5d37eff98ee6a1f4 Merge pull request #2107 from junghans/offline_gtest 2020-08-21T10:57:08-04:00 Axel Kohlmeyer akohlmey@gmail.com cmake: allow to overwrite GTest URL for offline machines https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/19c1fa8c9462db3d6386d8610ce2c44e6730f31c need to re-initialize lattice variable after new lattice command 2020-08-21T01:01:12-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4c46119a483b7cca47f109959f6fb8375e78f2e9 Merge pull request #2280 from lammps/gridcomm-tiled 2020-08-21T00:16:20-04:00 Axel Kohlmeyer akohlmey@gmail.com Support for tiled decompositions in PPPM https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42018d3b357062284744ba831c412131718a2a47 add dispersion only kspace style tests 2020-08-20T23:42:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3183af9b85a46afa96836048e670814ebbd940a1 fix a few more initialization issues in pppm/disp and pppm/disp/intel 2020-08-20T23:42:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2855f04363e420c79686b3ea81b7029c618dc95e tweak output format 2020-08-20T23:41:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/deb24626d1d58fb538541c0ec67b97b8da6648b9 fix gc vs. gc6 issues in fix pppm/disp 2020-08-20T22:45:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0440b13a6deefab7927ac42e270754be032f3014 fix memory leaks 2020-08-20T22:27:15-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17a96121260e469c5c0b3f102bfcb5eca4defd58 fix pppm/disp initialization issues 2020-08-20T22:17:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0a042be6b85822316315d0ae7ab1f058a8c8db25 fix another pppm/disp bug for dispersion-only runs 2020-08-20T22:11:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7639d49510f9728f24c3c7b9158beadef0cf067 Merge pull request #2297 from akohlmey/more-fix-tests 2020-08-20T20:18:09-04:00 Axel Kohlmeyer akohlmey@gmail.com Add a few more unit tests for fixes and fix some issues related to it https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/287112761c172595b3b53838631c759e3d2960f1 tweak load balancing output format 2020-08-20T18:51:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a742db236976264103e312644207af790582b074 add a couple of kspace tests using tiled communication 2020-08-20T18:08:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/398e92940091f0c709131b8bb4739287f4b03115 Merge branch 'master' into gridcomm-tiled 2020-08-20T17:58:35-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4fde9022a3f5cb600fc4cd1a1e6a5420f8ef931c remove tabs 2020-08-20T17:54:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a70a5be2d8ae2b2c80b6e4a432659b8d81c8c888 Merge pull request #2289 from akohlmey/reduce-kokkos-compiler-warnings 2020-08-20T17:52:07-04:00 Axel Kohlmeyer akohlmey@gmail.com Reduce compiler warnings in KOKKOS package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/203ab71b6291853dd14a2f06d158eecec8cfdcc7 Merge branch 'master' into gridcomm-tiled 2020-08-20T17:00:55-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c513b60f97c3cd28ba420bd48b5eb26b1e7f3407 Merge branch 'reduce-kokkos-compiler-warnings' of github.com:akohlmey/lammps... 2020-08-20T16:59:46-04:00 Axel Kohlmeyer akohlmey@gmail.com Merge branch 'reduce-kokkos-compiler-warnings' of github.com:akohlmey/lammps into reduce-kokkos-compiler-warnings https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f3b0bf8a33380b558f5935e653f909245b654835 Merge branch 'master' into reduce-kokkos-compiler-warnings 2020-08-20T16:59:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cd7ba1d007c6c2535a0b313cba5d21e33342591f Merge branch 'master' into more-fix-tests 2020-08-20T16:41:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0335fabb1e96b49637b66c0e6ec41c4ba2a25e6 Merge pull request #2295 from akohlmey/add-fix-momentum-chunk 2020-08-20T16:40:51-04:00 Axel Kohlmeyer akohlmey@gmail.com Add fix momentum/chunk https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6b19b80d0836cf364814799323e48b5e75bdb5d Make all Kokkos functors structs 2020-08-20T13:52:53-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17b998edb33f34d2c3ce0e1cf6bded324486ff11 fix whitespace issue 2020-08-20T15:51:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5306b392518a92433140f60695a09c41d32587fd add tests for a few more wall fixes 2020-08-20T15:42:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/56d00e115df6b80ef13b209c4671935de8a308c8 add more tests for fixes 2020-08-20T15:32:47-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/92622d907908577965409a2a40c2d91c95e93452 add restart support to fix temp/rescale, fix spring/chunk, and fix spring/rg 2020-08-20T15:32:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ff2242385bcdc72096515452a2800035cea6e47f Tweak format 2020-08-20T12:56:56-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6862d70759b13b7420f6d1d6a88cd72cda20ccb8 Merge branch 'master' of github.com:lammps/lammps into reduce-kokkos-compiler... 2020-08-20T11:24:30-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6efc51d863274c0e18373229155004ae37ae09b9 Update comment 2020-08-20T11:19:34-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/394b2da5851c8d7b97ff21e07ed4ab79153859fa Port changes to Kokkos 2020-08-20T11:09:21-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fc9f0dbcbc908e7b1791873ac7fe720d5fd9b947 correct fix npt/cauchy docs 2020-08-20T11:29:30-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ba0062676467f24ce575bb96f953c793b21b1c62 more force adding fix tests 2020-08-20T10:59:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e72ea35c403990cf15c762f2a3e22b091133d7b5 add tests for a bunch of rigid fixes 2020-08-20T10:10:25-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0f115321629b54504739ac91629e15fa88b95f00 remove class member that was incorrectly shadowing a base class member 2020-08-20T10:10:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ca7fa2aeef5382301b0b84e5b4f60289f5a463aa make names of fix-timestep inputs consistent with the rest 2020-08-20T09:25:40-04:00 Axel Kohlmeyer akohlmey@gmail.com