lammps:50b8b1bf60d43d8c25e949ce7745a1b8f4a54b2a commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/50b8b1bf60d43d8c25e949ce7745a1b8f4a54b2a 2020-08-26T11:45:24-05:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/50b8b1bf60d43d8c25e949ce7745a1b8f4a54b2a Fix Kokkos HIP compile error 2020-08-26T11:45:24-05:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d40b658644f1f5cdf0b8e5be755e69fda8b5c368 cmake: update kokkos version/checksum 2020-08-26T10:05:14-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7ab6def2ca190799b06cc78e4f1efba62f4598fb update list of Kokkos GPU archs in manual as well 2020-08-26T03:49:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/abbbb0ab06aa83365123b4644b8889ecb0397d37 remove trailing whitespace 2020-08-26T03:42:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aa6dec84ed45f6edb6cd825f30c1bc4e50cc1479 update list of Kokkos supported architectures 2020-08-26T03:42:42-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b8f59fd37c8bd08fbf37864656f7bd7581db36cf Update from master 2020-08-25T20:29:03-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4d90c2b74b74df6de0bbda5ece0a74a79a83ca52 Update Kokkos library in LAMMPS to v3.2 2020-08-25T20:21:48-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dc241abb85689b0aa780487c14cc0666cfffb6c5 Merge pull request #2305 from akohlmey/next_patch_version 2020-08-24T13:46:50-04:00 Axel Kohlmeyer akohlmey@gmail.com Update version strings for updated patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/93e4ed97705b22b783a19f3c4f31c94c31ea566c Merge pull request #2304 from akohlmey/collected-small-changes 2020-08-24T11:43:42-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes for the next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7e1a3bd4d570391f33afe9487a7c4f6d24c3b7f7 Merge pull request #2302 from akohlmey/consistent-doc-headers 2020-08-24T10:52:09-04:00 Axel Kohlmeyer akohlmey@gmail.com Consistent subsection headers for commands https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47a44732e7e9b438b70e50e9ce66fbed002d3c6c add test for fix restrain 2020-08-23T15:29:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8f5e8300ea4f21bbd21892d3ca27a7d9f92a3d95 fix typos in fix restrain docs 2020-08-23T15:29:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fb634658de30db2a678f479ce5289183abfdf721 add tests for a few more force manipulation fixes 2020-08-23T07:01:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c503bba00803a15b31ba5000488e1367d248b959 add custom pair style tests for reax/c and edip/multi 2020-08-23T06:44:33-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0fb8f6e779836bde5e393da170ea47f7d8e44320 add test for pair style momb 2020-08-22T23:15:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/66b17fd2ce743ba27ad455bb97d5b67a881b22ae dispersion only tests for buckingham 2020-08-22T23:03:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3def826dbe5746fb8ff66f19ade9567456193208 add more tests for variants using long-range dispersion pair styles 2020-08-22T22:55:15-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f18d0507b3ecd9c8b67381eb1811abe1f040ef71 fix issues with lj/long pair styles when not using long-range for dispersion 2020-08-22T22:54:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c8f2634b44879a43f5b5c83f3dfe7770c39fa5c1 add tests for tabulated msm coulomb 2020-08-22T22:08:08-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e78100bdba55937fb0b1935bdc4998b03e1889ee add (partial) tests for pair styles dpd and dpd/tstat 2020-08-22T22:00:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2907a10937dfbc2f7bdf019f67c160d760baaf6f update version strings for new attempt for a patch release 2020-08-22T16:42:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1879106cc3abaa25df9be74e56f33ac38e4c567c Merge pull request #2299 from rbberger/doc_file_size 2020-08-22T15:45:06-04:00 Axel Kohlmeyer akohlmey@gmail.com Avoids HTML doc pages from becoming too large https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9152a8e98ff41fa69c8ae0c81ed99211f12c9436 avoid division by zero in imaging code 2020-08-22T15:32:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fd654f4fda297bec45a34e515593c1ac3aa6b88 silence compiler warnings about unused variables 2020-08-22T15:06:00-04:00 Axel Kohlmeyer akohlmey@gmail.com 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/9136f9b9c9aba76e46a2f42f8147c279f2b58c6a Merge pull request #2303 from rbberger/binary2txt_bug 2020-08-22T14:46:29-04:00 Axel Kohlmeyer akohlmey@gmail.com Fixes a bug in binary2txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f82b19e21f90e04f46b1c752e0ddc1ade58877be Fix off-by-one mistake, Fixes #2300 2020-08-22T12:03:24-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b776e1ee3c2d6c51b07c9fec28e7567bb5f3f157 convert remaining style doc sections to be a logical header 2020-08-21T23:33:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/66438539f23cfb130e2b2d92360125d25c111e8e Avoids HTML doc pages from becoming too large 2020-08-21T19:47:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/450fd12d31398d922aa60de9da76a36d6baf943c Changes needed for Kokkos v3.2 2020-08-21T14:45:12-05:00 Stan Moore stamoor@sandia.gov 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