lammps:183980e809e9dc1699ddee25cd531c46ac1c14ff commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/183980e809e9dc1699ddee25cd531c46ac1c14ff 2017-09-30T14:48:54-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/183980e809e9dc1699ddee25cd531c46ac1c14ff Replace VLAs with std::vectors 2017-09-30T14:48:54-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f2c1172741b59e57ba0519015702fb223f599b01 patch 22Sep17 2017-09-22T15:46:34-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bcde318ccb0fca12eb265c4d09cc9b317214e68c Merge pull request #659 from stanmoore1/kk_border_comm 2017-09-22T13:47:44-06:00 Steve Plimpton sjplimp@sandia.gov Enhance Kokkos communication logic https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3ed39ca844baee9d4684e604f9d8088da6baafb9 Make Kokkos comm give warning and switch to classic comm instead of erroring out 2017-09-22T13:03:24-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ee487ef4aa4f5fe54bdf618db3c4c3d3d0b24def Merge pull request #652 from junghans/latte 2017-09-22T10:32:19-06:00 Steve Plimpton sjplimp@sandia.gov Add LATTE fix https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a8ae8866676eac1d40fc29445739ac876651d596 update fix latte examples and virial 2017-09-21T10:40:54-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5e35ab251b23b135d4eaa3aa712c98bc45bbb069 fixed sucrose 2017-09-20T17:11:49-06:00 Christian Negre cnegre@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d708e34ba6d49f476ed142c657b302eeec20985a cmake: download/build latte if not found 2017-09-20T12:01:26-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/638b91bf74c1b1bb5db0337c0ed3cbd1d8918687 Merge pull request #657 from lammps/snap-potentials 2017-09-20T09:34:51-06:00 Steve Plimpton sjplimp@sandia.gov new SNAP potentials and examples https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad25a9529758d19a234af1c3be40d1516b708024 whitespace cleanup 2017-09-20T11:13:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7d042ba1a0e0c81c3d73daa5874df270415004d convert DOS/Windows CR-LF line endings to native format 2017-09-20T11:12:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dd49d54889a2321f959778174fa3f1145483c542 new SNAP potentials and examples 2017-09-20T08:54:30-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fbaa7ab8fa55dfe3d7a895449eb6c2140fa5ed28 Merge pull request #655 from akohlmey/fixes-for-patch 2017-09-20T08:51:47-06:00 Steve Plimpton sjplimp@sandia.gov collected small bugfixes for the next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2e9803efb31d7ca104975c336af3bbc281c8c666 Merge pull request #645 from akohlmey/kokkos-makefile-updates 2017-09-20T08:40:20-06:00 Steve Plimpton sjplimp@sandia.gov Some small kokkos makefile updates https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/59d2e13d48feee6fa74dfab34b5dfef0e680cad9 add .gitignore and add Makefile.lammps.* symlinks to stay consistent with oth... 2017-09-19T19:06:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/76d93f21dd9cd750a0d1fee7dee62372179bc250 add fix latte command to doc pages 2017-09-19T16:55:08-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac897ea6457cf101a9e6ef24d90a842f1e93ddd1 LATTE package doc update and some small code changes 2017-09-19T16:27:25-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/19f1f3a3e063a40fdbaf5dc5d4ff7ac656c6839a correct USER-INTEL installer script for verlet_lrt_intel files 2017-09-19T11:48:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/be96486d6668a0a4382e8bd183973420ee0eeb74 compile all objects in the GPU library with -fPIC for building shared object 2017-09-19T11:24:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/48dd824b2601ce6ef8f281b21178486e5482b5c2 ignore generated header files with OpenCL kernels 2017-09-19T11:24:38-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cdb6ec7419d0ed3e8178b4bca6db318a145423e3 reverse the pre-processor logic of the LRT mode define 2017-09-19T11:24:05-04:00 Axel Kohlmeyer akohlmey@gmail.com with this change, the USER-INTEL package can be installed and compiled without having to alter makefiles for adding -lpthread. All "intel optimized" makefiles have been updated to have the LRT feature enabled. This change will allow us to include the USER-INTEL package in several automated testing configurations and thus allows to detect incompatibilities and compilation issus faster. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aad8cd10ffa28f6681f7e5b7351ea6ed695a8ab9 allow fix viscous to be used with dynamic groups 2017-09-18T18:08:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1ac90815f3426d0b19775e497ca84bf3bfa80a4e fix external only needs to collect virial in case it is requested 2017-09-17T23:59:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f1842829e4847360400521984a301ae5455ec13 activate virial contribution in `fix lb/rigid/pc/sphere` by default and... 2017-09-17T21:10:41-04:00 Axel Kohlmeyer akohlmey@gmail.com activate virial contribution in `fix lb/rigid/pc/sphere` by default and protect virial computation with evflag https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/66130f555700d9bf1ae3d16e574da7cbffdbf090 whether virial contributions from fixes are included depend on thermo_virial,... 2017-09-17T20:50:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/388eab5eebe5a9bc8db5bdb00b1fe173fdb475b8 correctly initialize `thermo_virial` in fix poems and protect access to... 2017-09-17T20:49:41-04:00 Axel Kohlmeyer akohlmey@gmail.com correctly initialize `thermo_virial` in fix poems and protect access to vflag_XXX by checking for evflag !=0 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a500048c9c4ac176bc604259ef2ce1841bc0c3b5 remove bogus version of temper/npt command 2017-09-17T19:25:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b4ecad7fbf5b4b2649d538933c3e32e2d5a1cdaa remove another couple of purge items from long ago 2017-09-17T19:22:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b5894e2190ca52c62c5ea9796d07b2537144409c automatically call 'make purge' before calling 'make package-update' or 'make... 2017-09-17T19:19:45-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6f1935ea4058764339808fea7894bd6d91aa17fc correct embarrassing typo 2017-09-15T21:58:47-04:00 Axel Kohlmeyer akohlmey@gmail.com this always happens after too much exposure to fortran codes. :-( https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/02665e45a4005a7a4846ad3dfc2cd77532d13f44 fix doc in lib/latte/Makefile.lammps.* 2017-09-15T17:52:14-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cc2a53a8daef07850d0a2b15674509aede996bb9 Merge branch 'exaalt' of gitlab.com:exaalt/lammps into latte 2017-09-15T17:43:48-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d614d56c34c4bf80e210b29e0162f34f0e678ee4 Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt 2017-09-15T17:41:02-06:00 Christian Negre cnegre@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/39daf3c6f68f8b7055dce3608a77a1623ea60b06 added fix_latte.txt 2017-09-15T17:40:34-06:00 Christian Negre cnegre@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17aeccf19f3fa5c68e8421362ca90aabc501efdc Merge remote-tracking branch 'origin/master' into latte 2017-09-15T16:18:13-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d101fe3e79fd7457c7b140208505ff496652acb3 Merge pull request #649 from akohlmey/fix-virial-aidan 2017-09-15T15:25:09-06:00 Steve Plimpton sjplimp@sandia.gov Add support for selected fixes to optionally contribute to the virial https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/27f99534ecc4126a7a61159abf72afcb9f0935b1 Merge pull request #654 from giacomofiorin/colvars-small-fix 2017-09-15T15:22:09-06:00 Steve Plimpton sjplimp@sandia.gov Fix small typo to calculation of accumulated work in Colvars https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f6937daddcb9ede78ee75cfed751ad98172e2f5 Merge pull request #653 from jdevemy/master 2017-09-15T15:21:53-06:00 Steve Plimpton sjplimp@sandia.gov Bugfix for the limit keyword https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3b39694f2386da112b16cae4dc03d48a160f0fd1 Merge pull request #628 from lammps/cmake_improvements 2017-09-15T15:19:46-06:00 Steve Plimpton sjplimp@sandia.gov CMake improvements https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/99e5dc7104610d1f4d6c072d6df87b97c9646c17 add support for fix_modify virial yes to fix smd 2017-09-15T01:21:16-04:00 Axel Kohlmeyer akohlmey@gmail.com