lammps:3750e0a42775e490936dc04651d455b0cf635940 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/3750e0a42775e490936dc04651d455b0cf635940 2018-06-16T11:13:52-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3750e0a42775e490936dc04651d455b0cf635940 resolve newton setting and parallel disparities, improve syntax error catching 2018-06-16T11:13:52-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/40c4461a7806821efac26d24da43161b497ca026 Merge pull request #17 from lammps/master 2018-06-15T23:26:01-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fcf9ed0fc2f50c2d8a47b5eee64f4cc295e96656 Merge pull request #946 from b-v/patch-1 2018-06-13T13:01:15-06:00 Steve Plimpton sjplimp@sandia.gov Update README.md https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/661848139c5051869f5fe1385f12024cc9c85f9a Merge pull request #926 from ndtrung81/gpu-updates 2018-06-13T12:57:01-06:00 Steve Plimpton sjplimp@sandia.gov some updates to the GPU package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/12d8370ec570011dacbf540460c806d0618ad061 Update README.md 2018-06-12T23:03:33+01:00 b-v b-v@users.noreply.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3c781afa6c142c3a7ed0a992a8c041c2c39cc88d Switched to standard C++ header files for pair lj/expand/coul/long in USER-MISC 2018-06-09T09:41:03-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/29e555213c5df6532731ba18d72f3a3944169cb7 Merge pull request #924 from junghans/cmake_misc 2018-06-08T17:34:58-06:00 Steve Plimpton sjplimp@sandia.gov miscellaneous CMake Fixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/965ac3cedd30a3b4c9c824661fa649b9f86dde11 cmake: lower cmake requirement to 2.8.12 2018-06-08T16:18:02-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/30e3e9ab8845c897144506bb4ed8b6d81446c4e0 cmake: simplify Fortran linkage 2018-06-08T16:14:28-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6cb0c2e9c5d41a2f3dd5bbae8ed35ae5a46de9c3 Merge pull request #937 from stanmoore1/kk_bonds 2018-06-08T15:42:40-06:00 Steve Plimpton sjplimp@sandia.gov Fix issues in Kokkos topology files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ebd93cac699052792f6f9f5c97aed72badca7e18 Merge pull request #930 from stanmoore1/kk_update 2018-06-08T15:42:05-06:00 Steve Plimpton sjplimp@sandia.gov Update Kokkos library to v2.7.00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/142de878f92948e21eacc08708ea57ccdeea94f2 Kokkos doesn't yet support map_style hash, so use may_style array by default ... 2018-06-08T09:38:16-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a4a3133b7611c1b4b8eb3697d2fff6ce20f858d9 Switched to standard C++ header files for consistency with other source files 2018-06-01T23:13:49-05:00 ndtrung ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3e040227b194470184438af7720cf85cd02a3f9 Fix issues in Kokkos topology files 2018-05-30T12:31:20-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c27e617fd83b230ea7a4fadfe2a9c42c915f1a0f Add logic to Makefile.kokkos 2018-05-29T11:33:18-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7773808a51cd3134a9381ed51b9ce33d43bda8d Merge pull request #14 from lammps/master 2018-05-26T14:38:13-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0368202d127036486a4ff0d023c7c66cb9ad771d Merge pull request #929 from stanmoore1/snap_fix 2018-05-26T14:07:19-06:00 Steve Plimpton sjplimp@sandia.gov Small bugfixes for Pair Snap https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1422b0413bd13f601603b63a05d96946d9ef1cd6 Update Kokkos library to v2.7.00 2018-05-25T15:00:53-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/18c6d7f289cf195ab7558b4f6440f1e10715e9e6 Fix possible MPI deadlock in pair_snap 2018-05-24T15:31:49-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1b4068b575e87acb31d9de74dfb25a184cc761f4 Restore workaround for compiler bug in pair_snap.h 2018-05-24T15:31:22-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/341fa160fe8c7c64baa9b1fac902ec57714f4049 Updated UCL_Device built with OpenCL to use platforms that support accelerato... 2018-05-23T16:11:55-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6c42c9b37810ab234ffe75028a7c434720fcd645 Add missing OCL_TUNE define to CMake build 2018-05-22T20:21:58-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce4a446cea8743eadc33af36dea2c830a00143a0 Merge pull request #911 from akohlmey/collected-small-changes 2018-05-22T10:11:12-06:00 Steve Plimpton sjplimp@sandia.gov Collected small changes and bugfixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/933cf92e364d5e6287b4ea9aea8a957cb88ffa81 Merge pull request #923 from akohlmey/remove-register 2018-05-22T10:02:32-06:00 Steve Plimpton sjplimp@sandia.gov Remove deprecated 'register' keyword https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/69903cb4aa2369a77dbd8c84f74d3ab3299e1c7d Merge pull request #921 from lammps/doctweaks 2018-05-22T10:02:01-06:00 Steve Plimpton sjplimp@sandia.gov tweaks to doc pages https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad5cfb5ae6fd462ec594cf3d07cc249760bd2ba7 Switched member variables from private to protected for lj/cut/dipole/long 2018-05-22T09:55:16-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2f9e6d4566ad2a2024b1d1baad7046b7e322125c Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole... 2018-05-21T23:32:25-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ec31564fe4dccbad5155fd303d374c97a2235fa fix preprocessor directive bug in lib/atc 2018-05-21T16:50:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f5b7419108b27569326f384063a7caca36fa69f5 fix typo reported in #915 2018-05-21T16:49:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f193e02e0eb8c369bf727808628a1bef434ec32 update to c++ style include header syntax 2018-05-21T16:49:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/838a1938bb2b3073eae4e45ab27f037caa8beb7a Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU... 2018-05-20T17:03:12-05:00 Trung Nguyen ndactrung@gmail.com Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/df3eb3651917fee3b1696fc195a264266d5fc1dd cmake: KOKKOS enables C++-11 internally 2018-05-20T08:22:20-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bb6dcb8ebda43d841711eecdf26060ab680cd16c cmake: make CORESHELL depend on KSPACE 2018-05-20T07:54:00-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e6f76451eb6ba8bfad55ab552c38a79f28c01cb8 cmake: fix pkg_depend macro 2018-05-20T07:27:22-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cfb350d40bd787278923e4660485bb37ac145953 cmake: QMMM and H5MD need C 2018-05-19T11:07:19-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5daf1fe0d411a70b78c957659fd91e0be81c1b19 remove deprecated 'register' keyword. closes #922 2018-05-18T17:43:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cab602045ebc74be24b01626168de445c34be7f9 tweaks to doc pages 2018-05-18T08:37:29-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/94c6d2d5460f4ccb6f60ba58fe205243b923451e Merge pull request #918 from stanmoore1/kk_atomics 2018-05-16T16:46:02-06:00 Steve Plimpton sjplimp@sandia.gov Fix performance regression in KOKKOS package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/585a164e78ad8542cd9d5a8c80e63fc8c2299dc9 Merge pull request #901 from timattox/bugfix_atom_vec_dpd 2018-05-16T16:45:35-06:00 Steve Plimpton sjplimp@sandia.gov USER-DPD: bugfix for AtomVecDPD::unpack_restart() and the Kokkos version https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5a4a7cebc10788381f0dd230743ef064df58c525 Fix performance regression in KOKKOS package 2018-05-16T16:12:05-06:00 Stan Moore stamoor@sandia.gov