lammps:70a7b3761475f12833b10f08bc1c55f5b4ed662b commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/70a7b3761475f12833b10f08bc1c55f5b4ed662b 2018-06-19T15:50:02-05:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/70a7b3761475f12833b10f08bc1c55f5b4ed662b Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds... 2018-06-19T15:50:02-05:00 Trung Nguyen ndactrung@gmail.com Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds to support core-shell styles where r2 can be tiny. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6842a527e0d3029b21eeff7a55bec9857fea5525 Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests 2018-06-18T00:15:28-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d094bf789c1483b9864dcdea7c74fe7939ac0730 Updated GPU/Install.sh 2018-06-17T11:50:41-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/265b6c261ef89f6bb0b442e26fd7366fbcd332b7 Fixed bugs with lj/expand/coul/long and its gpu version 2018-06-15T23:38:37-05:00 Trung Nguyen ndactrung@gmail.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/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/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/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/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/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 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/307e47145629df366195b58e6ffeccfbb6738803 Merge pull request #914 from jrgissing/bond-react-restart 2018-05-14T16:16:58-06:00 Steve Plimpton sjplimp@sandia.gov smooth restarts with bond/react https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f5d66e74c5b162d3be41cf45dc66aa5ca8f0855f Merge pull request #913 from jrgissing/bond/react-doc-reformat 2018-05-14T16:16:46-06:00 Steve Plimpton sjplimp@sandia.gov Bond/react doc reformat https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bebf25dcb3f9464dba499da60b20005f3d7566f8 Merge pull request #912 from ellio167/kim-update 2018-05-14T16:16:18-06:00 Steve Plimpton sjplimp@sandia.gov Update to kim-api-v1.9.5 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3f316f71ef4ee714ec236d03907968278b07d498 Merge pull request #910 from junghans/cmake_intel 2018-05-14T16:15:50-06:00 Steve Plimpton sjplimp@sandia.gov USER-INTEL: enforce icc and add icc flags https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8303d1a375ab312760e719e915270727e9c6793e allow smooth restarts 2018-05-13T22:49:54-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/363d8ef775f1ec6248859626f71f56086aba8672 tweaks1 2018-05-13T15:45:43-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a449488b1d39980a8442c8d85e75952029f343b2 simplify 2018-05-13T12:14:15-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e076d08ee9c5e113464fa4f1668a19cbe488c107 correctly render doc page 2018-05-12T14:17:29-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1a5144bf373cfe571efe332a1f196811addc7700 Merge pull request #13 from lammps/master 2018-05-12T12:59:57-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ca6920be72c5ac0e4a9473229d76ad068aef6f70 Merge pull request #907 from akohlmey/dump_maxfile 2018-05-12T12:59:33-06:00 Steve Plimpton sjplimp@sandia.gov Implement 'dump_modify maxfiles' feature https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/55d8cc034119d3863f6812594b793d42fe3b0e4d cmake: add DOWNLOAD_KIM option 2018-05-12T09:48:15-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6b73e29f647df79df626ad7308a5dedc7bf07739 cmake: update kim to v1.9.5 2018-05-12T09:43:13-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/09046ad3f7ff8edc3a015a2f08631ecfc6c90ae7 Update to kim-api-v1.9.5 2018-05-12T10:08:09-05:00 Ryan S. Elliott relliott@umn.edu Fixes the 'everything' option https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/06c18dd36c94799af848ad5f923e5b5162e4bfc0 cmake: make CMAKE_VERBOSE_MAKEFILE option visible 2018-05-11T17:50:50-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/55bd823339216553db5958d5d527fb36c2f6d46a cmake: fix icc versioning 2018-05-11T17:48:31-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/77e04a92131a7a9bae977f05d9b1302530d3e7ca Merge branch 'dump_maxfile' of github.com:akohlmey/lammps into dump_maxfile 2018-05-11T18:04:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/233f03ea8ecbb54db17d872e81b6064fa3d60fb6 windows portability bugfix 2018-05-11T18:03:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f65b06de0e4dbcccab301ac11f0ea8db2513f149 dump_modify maxfiles tweak 2018-05-11T15:54:16-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0f32d603b5472500454925917f3b995f761ca898 tweaks to dump_modify maxfiles doc page 2018-05-11T15:52:18-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3440b1a2a7b9a9f4c5cb1dc1693d5cb4762a728f Merge pull request #909 from lammps/tablecut 2018-05-11T15:41:52-06:00 Steve Plimpton sjplimp@sandia.gov new dihedral table/cut command https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8952b1107ce064ec62b19197522ed0608efb69dd cmake: add user overwrite for USER-INTEL 2018-05-11T15:33:18-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b3b3c225e8aa6996208eb88a97e26a94de7d726e cmake: check that USER-INTEL flags actually work 2018-05-11T15:32:32-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4d34e5507264885ba343e291e485b23ae8b5b0ef rename jpeg file, recreate tex file and fix typo in docs for dihedral style t... 2018-05-11T17:31:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4820cef5d434f70619fac68f0ec89a55e7a48304 cmake: USER-INTEL fix flags 2018-05-11T15:19:29-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7598eeec003571b03f86adfeb9abc0f46f13b31 ignore new style sources in USER-MSIC 2018-05-11T16:17:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a5d29fa52e028845992929eb32d61cb3e06c9861 Merge remote-tracking branch 'origin/master' into cmake_intel 2018-05-11T14:13:30-06:00 Christoph Junghans junghans@lanl.gov