lammps:64257393b9de5df9d00bea933eb848a4d6259fdb commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/64257393b9de5df9d00bea933eb848a4d6259fdb 2020-09-09T10:21:59-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/64257393b9de5df9d00bea933eb848a4d6259fdb remove custom vector usage from USER-DPD:fix_rx.cpp 2020-09-09T10:21:59-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/76725731fdea07180a6a1e2f7d79df26ff02047a changes in package files to match new find_custom() syntax 2020-09-08T13:48:41-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d1442b0538d85e5890edbc52b512c356fb611143 enable per-atom custom arrays in addition to vectors 2020-09-04T11:33:49-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d00807ee9a50d43ef424376be3bba685f4a39832 Merge pull request #2311 from stanmoore1/kk_update_3.2 2020-08-26T15:35:25-04:00 Axel Kohlmeyer akohlmey@gmail.com Update Kokkos library in LAMMPS to v3.2 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aeb3e203850d314c8dce4f533d37a93100b94c14 Merge pull request #2307 from Vsevak/zbl_reduce_declaration 2020-08-26T13:56:49-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix NaN in GPU-accelerated Tersoff styles with OpenCL backend https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/629ead6348c129c5ef7b75f633f746f4cefa570e Merge pull request #2309 from lammps/doxygen-integration 2020-08-26T13:05:00-04:00 Axel Kohlmeyer akohlmey@gmail.com Add doxygen and graphviz processing into the documentation build 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/94db627ba563b536f489d36abd3a8dc6f00ee15f fix formatting issue 2020-08-26T12:09:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b4403de026410c0a7da376bc9934c40f279632d7 add false positive 2020-08-26T12:09:35-04:00 Axel Kohlmeyer akohlmey@gmail.com 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/8137ada8481b2ecaaa64cccbeab3cf099882042f Merge branch 'collected-small-changes' into doxygen-integration 2020-08-26T11:51:45-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bdc952ac888a944708f9dc134d4dbad17f7475e6 Merge branch 'master' into collected-small-changes 2020-08-26T11:51:05-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f89a0f9fe35a0a5567981f7a7de0f796ce61d38f must not try to delete computes if they have not been created and their ids n... 2020-08-26T11:50:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c8af729701d9ec88baefa7ad33e25f52da131e90 Merge branch 'master' into collected-small-changes 2020-08-26T11:49:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ad68c98a032483a7b021e056544c4739e7d9027 Merge pull request #2196 from jibril-b-coulibaly/mindlin_rescale 2020-08-26T11:42:06-04:00 Axel Kohlmeyer akohlmey@gmail.com Implement force history in Mindlin granular pair styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e2fd95d8ed58ae8aef34c7d47e95c66958494833 Merge pull request #2240 from jrgissing/bond/react-reset_mol_ids 2020-08-26T10:56:21-04:00 Axel Kohlmeyer akohlmey@gmail.com support molecule ID resets in fix bond/react 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/1c10aa6a4df1d83de06b86cd59a66f2546f2e598 GIFs are only supported in HTML 2020-08-25T17:15:34-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c256f2331fa36db61555b41ec6ab28da6437c4b7 JPG folder is no longer needed in HTML output 2020-08-25T16:59:39-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ae5c0bd8d1f140674fa513346185b54811453c8e Remove targets to JPG images 2020-08-25T16:44:50-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3a638440a46defcd923dbb152e1f26590a269563 Add missing PDF folder 2020-08-25T16:12:09-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/80e07c69f0033fdc835995ee7f85febf6a7484c3 add part of developer guide as to showcase the integration of the programmer ... 2020-08-25T15:07:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/df8fb26272086e727df778f3385a402242f1334d Refactor changes to documentation build 2020-08-25T13:41:31-04:00 Richard Berger richard.berger@temple.edu - Added CMake variables for readability - Moved Mathjax files to _static to avoid special copy logic - Moved JPG/lammps-logo.png to _static to avoid special copy logic - Removed dead CMake code https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/14b66d1f84752addf96bfec1e500bc7cf62205e2 tweak test tolerance of reax/c tests for running on ubuntu 18.04 2020-08-25T12:15:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/024e4c5f21c75189aa58db7e9edab01b0326d7f5 make formatting and doxygen decorations for utils functions consistent 2020-08-24T20:55:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3f685c346f33c841a081dd6c99cffef513c2b936 add doxygen integration with conventional and cmake doc build 2020-08-24T17:58:37-04:00 Axel Kohlmeyer akohlmey@gmail.com 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/0842911cd84c3eec75c656648a5a4b097aac270e Rename local buffers 'red_acc' in lal_tersoff* 2020-08-23T22:22:28+03:00 Vsevak thevsevak@gmail.com Rename __local red_acc in lal_tersoff https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/10080079e3da86a39cc615a236242262710b91a9 ISO compliance 2020-08-23T11:44:48-04:00 Jacob Gissinger jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/63abb2dff919327995dc350b70f44800176d7eef fix broken reset_mol_ids command 2020-08-23T11:32:54-04:00 Jacob Gissinger jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/01dd80f35e7709bb15fcfeadbf6c6f9ceb960de6 bond/react: actually make reset_mol_ids the default 2020-08-23T11:21:43-04:00 Jacob Gissinger jrgiss05@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