lammps:ed7c09ac8145218ecea252a991d2ea2efb671df8 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/ed7c09ac8145218ecea252a991d2ea2efb671df8 2019-05-21T10:30:33-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ed7c09ac8145218ecea252a991d2ea2efb671df8 Add missing character 2019-05-21T10:30:33-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0ee1daa46dd668da6dbd579c94822813f3e156d2 Add Lenz to false-positive list 2019-05-21T10:24:24-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fbc4f504d279c9aa76e95eed2b2ea597e22be78 Per-atom virial is not yet supported with pppm/dipole 2019-05-21T10:16:13-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/95ab0565762f1eee1a3327065fad19aa4df48d18 Add PPPM dipole reference 2019-05-21T10:07:41-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82b50706bd6d72b19dffdf880c93578261b1aeac Commit2 JT 052019 2019-05-20T22:09:59-06:00 julient31 julien.tranchida1@gmail.com - some corrections in the examples - deleted an old doc files (now redundant) https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e90eed91209d4daf8e929b03d36aa6b3670810d8 Commit JT 052019 2019-05-20T21:48:05-06:00 julient31 julien.tranchida1@gmail.com - deleted old doc - renamed new doc files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f2f7d15750d80ae550899be496550e38413936c Merge branch 'pppm_spin' of github.com:julient31/lammps into pppm_spin 2019-05-20T21:35:52-06:00 julient31 julien.tranchida1@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e60ec9be16d51c16ca661b072f37c7ca0c9b06e Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin 2019-05-20T21:35:16-06:00 julient31 julien.tranchida1@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fbb78e7b78a38a1734bc0abd37e0e3000fe07588 Commit JT 051719 2019-05-17T15:04:14-06:00 julient31 julien.tranchida1@gmail.com - removed qsymp pair style - cleaned doc (pair/spin/diole and kspace_style) - cleaned kspace .cpp/h files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/41872e37e639aa088c3c7246a0008434f8c3cacd Merge branch 'pppm_spin' of github.com:julient31/lammps into pppm_spin 2019-05-16T10:34:33-06:00 julient31 julien.tranchida1@gmail.com Conflicts: doc/src/pair_spin_dipole.txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0c0b106924b56f2293c00fb2f6513648e62b5311 Commit2 JT 051519 2019-05-15T20:49:05-06:00 julient31 julien.tranchida1@gmail.com - started doc pair_spin_dipole.txt - renamed all pair/spin/dipole - created and tested example pair/spin/dipole/cut https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/084bb3c35b357f4eb3ef6fb24b22274666c21d6c Commit JT 051519 2019-05-15T08:34:12-06:00 julient31 julien.tranchida1@gmail.com - start doc pair_spin_dipole https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/267782d68936ce44e2afefa1efa33f03b08db35b Merge pull request #1459 from akohlmey/next-patch-release 2019-05-14T21:30:28-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/31789ad03bd7e31a009bbd1a9df26a98068574b3 Commit JT 051419 2019-05-14T17:44:35-06:00 julient31 julien.tranchida1@gmail.com - added beginning doc - removed a remaining dipolar https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fd168068a1745bfd18d035b78d1aa15e1b4b0adc Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin 2019-05-14T17:41:58-06:00 julient31 julien.tranchida1@gmail.com Conflicts: src/SPIN/fix_nve_spin.h https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f2b293d93b57fda7740897e44be8ef73c2ba8e9e Merge pull request #1460 from akohlmey/collected-small-changes 2019-05-14T17:55:36-04:00 Axel Kohlmeyer akohlmey@gmail.com Some more small changes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6e842ba84a8ec87ddfaa10b407d662186dd98693 fix typo 2019-05-14T17:36:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/30dc7f70b5a849f2aafd92c79df9329bc592ea14 correct repeated words in docs 2019-05-14T17:13:46-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/98702cc0b9fde12add58cd054b32b261c670aadd Merge pull request #1461 from lammps/doc-tweak-hyper 2019-05-14T17:10:23-04:00 Axel Kohlmeyer akohlmey@gmail.com add missing formatting info https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/67532684f9d3b8b3cb642bc812ad8ecc6f1d7019 add missing formatting info 2019-05-14T14:02:54-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2c51511325f0486955ae2e9eb31b074543e7cce3 update logfiles for SPIN package with cubic anisotropy 2019-05-14T15:49:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1d5ada136a8021c34f2aad7223f394a1b49b2ac1 should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *' 2019-05-14T15:24:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4a4dcef7b73f2f6892c2557004969f0eb11d7202 whitespace cleanup in pair style e3b 2019-05-14T15:24:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4dc90b367ecf596f7ccbcb9d341fef0615610069 Merge pull request #1458 from wmbrownIntel/user-intel-bigbig 2019-05-14T15:09:06-04:00 Axel Kohlmeyer akohlmey@gmail.com USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/091dbfa2653f0521265fb0ace01e627fb6a6cdc1 Merge pull request #1457 from julient31/fix_cubic_aniso 2019-05-14T15:08:21-04:00 Axel Kohlmeyer akohlmey@gmail.com Adding a cubic anisotropy in the SPIN package, documentation corrections https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a26dc1b356e914ed185e3a24316481c945de1578 allow using -DLAMMPS_BIGBIG also with CMake 2019-05-14T14:35:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d8fb17e2cb2f53a295f4c7f9f074c723405574ac Step version string for next patch release 2019-05-14T10:01:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/322c244becf02b8daf020636a9521ecb4a82b4a0 Merge pull request #1456 from akohlmey/fix-mapping-for-KC-etc 2019-05-13T21:12:58-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix element mapping and a few other issues for interlayer potentials https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/60f6c3f3dc05909c4c2ac09a8478d7770f7086e5 Merge pull request #1428 from sstrong99/e3b 2019-05-13T21:12:26-04:00 Axel Kohlmeyer akohlmey@gmail.com add E3B water model to USER-MISC package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c911a44298df9e24ec1d1f317a4e269b9317179e Merge pull request #1450 from akohlmey/cmake-latte-pass-cmake-settings 2019-05-13T21:11:24-04:00 Axel Kohlmeyer akohlmey@gmail.com Pass more cmake settings to LATTE downloaded library build https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/52e3aeab3307d8d4351d47937232e2b56e5b2f97 revert incorrect changes in commands_list.txt 2019-05-13T21:05:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3a8b3a119ff9245fe2c1fafba25cb73c165d24b7 Merge pull request #1451 from rbberger/atom_vec_bond_kokkos_fix 2019-05-13T20:59:51-04:00 Axel Kohlmeyer akohlmey@gmail.com Add missing molecule_flag=1 in atom_vec_bond_kokkos https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8e18f2bf7eb0bd8bbaeb8dd1bc2784ce8d54dafb Commit2 JT 051319 2019-05-13T17:32:44-06:00 julient31 julien.tranchida1@gmail.com - corrected doc issues https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/11f223416c8b3e2a1a3cbdbbd25214b988663311 Commit JT 051319 2019-05-13T16:59:39-06:00 julient31 julien.tranchida1@gmail.com - added a cubic anisotropy in fix_precession_spin - added associated doc and examples - corrected neb/spin commands in doc/src/ - added tools/spin/ description https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d3d4b420bac708c0959b9a750ea13495dfa1f8fa USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for... 2019-05-13T05:02:46-07:00 Michael Brown michael.w.brown@intel.com USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/805cc18b2daaea1d443edc4096b464a24aa1f4e5 Merge branch 'master' into e3b 2019-05-12T22:22:31-05:00 Steven Strong sstrong99@users.noreply.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e228555aeda9c1ec8f61b44df7f5e8fc0e19fc5a more consistency changes for interlayer potentials 2019-05-11T17:05:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8eeb92b82b542ff4e320494786f582472f1ab32c restore original coeff() code with one modification. now setflag is only set... 2019-05-11T17:04:57-04:00 Axel Kohlmeyer akohlmey@gmail.com restore original coeff() code with one modification. now setflag is only set for pairs of types that both are mapped to elements (and thus not NULL) https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c581e9349adea8176de5033b5febe534f3e4aeb8 update interlayer potential examples for now requiring CH.rebo potential file... 2019-05-11T16:46:21-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b2942cbafae5c8a1c85975b43535f0a4cfa4fa20 correctly handle coeff statement for ilp/graphene/hbn 2019-05-10T21:07:54-04:00 Axel Kohlmeyer akohlmey@gmail.com