lammps:77d80c84c9d98320adf024b7ed0824be755f58c4 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/77d80c84c9d98320adf024b7ed0824be755f58c4 2019-04-08T12:37:49-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/77d80c84c9d98320adf024b7ed0824be755f58c4 Change defaults for KOKKOS package 2019-04-08T12:37:49-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aa336c2bb44a41ee9e1824a84d8a1cae7bad8a2b Merge branch 'master' into kk_binsize 2019-04-08T12:07:58-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/898860328b45aa938547490af4261f5d80386f31 Merge pull request #1416 from akohlmey/collected-small-changes 2019-04-08T10:42:10-04:00 Axel Kohlmeyer akohlmey@gmail.com More collected small changes and bug fixes for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb559659f80aca207fb44e568fc8af41e1add2f0 write a full-fledged LAMMPS manpage. 2019-04-07T10:35:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5c5b57be5a2f43d7bba4a027711c648e5eb0c300 minor tweaks 2019-04-07T10:34:25-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c4a497af4c21436436d89130482bb66ad7a9e4f set default to automatically download scafacos lib if not found 2019-04-07T06:10:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e57c4c60bd8c27fa18259c6a777bb55f19e49775 fix spelling issue 2019-04-07T05:59:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/13cf357f665e6fc28e8c83bfe3b24d72abfed00b document in README, that msi2lmp is now build alongside LAMMPS 2019-04-07T00:47:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6f7b3643ef9c5e6a8440ad6b713cc2c851f1153c document clang/clang++ preset with settings for MPI and OpenMP 2019-04-07T00:46:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e57e4a730bff3e3213ba512dcb470d34293cbbbb more packages with default-to-download-if-lib-not-found 2019-04-07T00:45:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b40c4d1641e2cf6ea76e468be84c4aa5e25870ca update version number and some reformatting of the LAMMPS manpage 2019-04-06T23:45:01-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1dd21e6e0cb388cfb90369fa0ee62342abbcbe1a make downloaded LATTE library use the same BLAS/LAPACK as LAMMPS 2019-04-06T23:44:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a6c9a782a4fd5b39373f649d7287829e90f90d25 add manpage for msi2lmp 2019-04-06T23:41:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3b43fc3ea7de5d2b245dc2a7baa3ab71d3b57b35 install msi2lmp force field files and set environment variable, so they can b... 2019-04-06T20:41:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0d8d8dc0da93d56cfda6f9fabdd307ce2acb032d Merge branch 'master' into collected-small-changes 2019-04-06T19:52:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ce1040a10305df8c45e9415e4d918113bdd38b73 Merge pull request #1414 from oywg11/github-tutorial-update 2019-04-06T19:44:11-04:00 Axel Kohlmeyer akohlmey@gmail.com fix two bugs in potential #839 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b25657c67bbfab5ad35c36c42672ad8f7ed70940 trigger download by default if not found for LATTE package/library 2019-04-06T17:49:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/494e76da7d3db4b5ecaae5dd36419c9f9f0db46c add false positive 2019-04-06T17:29:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb398bd0267e1d8c205551c0767c0147d8ba9e2d silence some more compiler warnings 2019-04-06T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/72b69783decf82415b4119152228c113c8f7cdca add download-default-if-not-found logic to voro++ library for VORONOI package 2019-04-06T17:17:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c02ce730205c718f526a3aab2697f478b42e2e3 silence some compiler warnings 2019-04-06T17:03:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f98aed419c2d3a61e8f8fa8eb91c8ecf73683bd4 document the 'maxelt' define in pair style meam/c and how to change it 2019-04-06T17:03:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86f4080b71bab8d70b382a893b113a22140c3105 some dead code removal in pair style kim. 2019-04-06T16:48:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/59a4d422319fbf1f158395b4b56dc205f7428035 make default CMake setting for DOWNLOAD_KIM depend on whether the KIM API is ... 2019-04-06T16:47:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e8289b0024d69f9d9e8a51481328e58a7fd2cbef Merge branch 'find-kim-fix' of https://github.com/ellio167/lammps into collec... 2019-04-06T16:28:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3070a110413d88e2356a2db168924ba5272d6b3a guard against extracting too many elements from the MEAM library into the sta... 2019-04-06T16:23:10-04:00 Axel Kohlmeyer akohlmey@gmail.com this will abort with a meaningful error message and people can fix up their LAMMPS binary as needed. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47b74379762a42f63c3fd679bd0a13b873f60422 Have FindKIM-API.cmake work in QUIET mode 2019-04-06T15:08:15-05:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6643a4ec9274c2c661df414a8bf41c04ff07b1e1 Fixup FindKIM-API.cmake and clean up some v2 remnants 2019-04-06T14:20:21-05:00 Ryan S. Elliott relliott@umn.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb27d03c79c22bc2316e838098d8cb0358e61b59 stop with error message when computing per-atom stress for reax/c/omp 2019-04-06T11:27:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8683e1ebf83cb625d7e89ac23623d78d0cec4a44 revert ineffective changes 2019-04-06T11:24:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6a12f6c3e02dabf8926dd788e2e1d256a1f86c9 roll back ineffective changes and add zeroing of allocated storage 2019-04-06T11:22:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/efa8c8d58b9ffba4a287f9d5203e4344c0dc698f sanitize file pointer access handling 2019-04-06T11:21:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bcb6e1be4fd272f3ea4d0be0b56b6976b3a5b8de disable fdotr for virial also for regular pair style reax/c 2019-04-06T09:45:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bca7364ba3c015ae44f10c3fecd80615617707a2 disallow using fdotr for computing virial contributions with reax/c/omp 2019-04-06T09:21:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9334c72c04fba8cbbe17cba1c063d17658f05f66 clang can be installed supporting OpenMP without having omp.h installed: add ... 2019-04-06T08:59:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e629733d0b552d5b9050f3418fa6a74d0a2a0d2a change error-all to error-one 2019-04-06T10:26:56+03:00 oywg11 w.g.ouyang@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f10534a7213911264cf42eef674535c9b941a7e5 add code to build msi2lmp with CMake 2019-04-05T23:56:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/de0938da39a2d27f68e67dc69d9c7694d691123c avoid segfault when catching command line flag errors with EXCEPTIONS enabled 2019-04-05T23:24:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3d7a4fb9459feb6018ccdcd609aae87b4c3c11eb silence compiler warnings, remove dead code 2019-04-05T17:04:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d17553d8d294d6a6598526f5dcfaa3305a783fde add preset to make it easier to use clang with OpenMP and MPI 2019-04-05T16:52:28-04:00 Axel Kohlmeyer akohlmey@gmail.com