lammps:42018d3b357062284744ba831c412131718a2a47 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/42018d3b357062284744ba831c412131718a2a47 2020-08-20T23:42:23-04:00 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/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/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/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/ed26d8ef8f267e0fe469233a34bdebfd2fd29036 revert change to fft3d.cpp that breaks all PPPM styles 2020-08-19T20:24:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2ed18bb8412c34780e3ccec8bf0bfe4fda310c19 tweak output format 2020-08-19T20:15:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2feccc28370b3bcc13a1cad0f67901deba23c8b0 fix dispersion gridcomm buffer bug 2020-08-19T20:12:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/729b3d2717bf39d8fad41f377776056a573a024a major whitespace cleanup 2020-08-19T18:46:35-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/503d3826bb005d881d1977faf132a954074aab40 Merge branch 'master' into gridcomm-tiled 2020-08-19T18:36:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fdb1e69768e3566c7f074bda25f83180b12b316c silence compiler warnings 2020-08-19T18:36:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/284cdceae82248f62fefddf1c0c40ecb450c5b0b silence compiler warnings 2020-08-19T18:19:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ba06a7bf0c6f262f54fa39e9b4aa7a9077d80370 final gridcomm comments and flip FFT forward/reverse 2020-08-19T16:05:30-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8f156bfee60a493af0e42d7c764587ee6e5ebe59 Fix typo in pppm_gpu.cpp 2020-08-19T14:25:06-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6f37da4eb28572bb1d0188522c24a089a5fab5e2 Whitespace cleanup 2020-08-19T14:10:35-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5ea7ca94f40fb993b2edb5d2cffabadb921e930f Revert accidental change 2020-08-19T13:54:06-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/073c7ee1387a7e7636f2a1f028297f0d3f1da87a Fix warnings related to virtual function override 2020-08-19T13:29:11-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/33cc932d03489883a1fdaa3078b6d2f825f731b3 Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s 2020-08-19T15:21:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/af50d90b551bdcb1bf9cb8fef61c939ae715baa3 add author to README 2020-08-19T15:15:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/20c24b1f3b381c6ebbc2a73e3721d249c7d96b68 add tests for momentum fixes and nve/limit 2020-08-19T15:08:46-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b1fbee9bd0cdec20515bf529cfd963a2a255271c skip testing fix nve/limit for r-RESPA as it is not compatible by design 2020-08-19T15:08:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a0aca4cee41d657e55b72804f2476fa9226ec486 improve error message 2020-08-19T15:08:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b4ce4a0979a8c4a87f071e26574a6b7bc8fae947 must delete internal computes if they already exist (e.g. after a restart) 2020-08-19T15:07:56-04:00 Axel Kohlmeyer akohlmey@gmail.com