lammps:aa393f35db0c6217034202ee1153390da489860b commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/aa393f35db0c6217034202ee1153390da489860b 2020-08-06T22:26:20-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aa393f35db0c6217034202ee1153390da489860b Merge pull request #2279 from akohlmey/collected-small-changes 2020-08-06T22:26:20-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and fixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/522a76694f4492f0f96d61fa3bec05c52258a0bf test pppm with triclinic cell 2020-08-06T21:52:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b91419397d7b0deab5ab9897f8d47cb5264b9a82 update (some) kspace tests to run faster 2020-08-06T21:49:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cd31006006911b27d5e61d6e6bdd0a222a416730 add test for pair style python 2020-08-06T17:53:11-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ec0b3ae8d2eee8ddc726d7da97cc77ffe917bd07 add test for pair style tip4p/cut 2020-08-06T16:54:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e1219399b4d0c793efed38f906ab82875b377582 add tests for buck/long/coul/long 2020-08-06T16:26:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fefed73cb90c6c9e38b915a3760104c0180cceb0 fix bug in single function of buck/long/coul/long 2020-08-06T16:26:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad71475e911e74c853ad65b7d3b4a784dbe19d90 more tests 2020-08-06T16:09:47-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dae97e1151c04f26c4bb950a6ccb6d1599b897fa add tabulation for long-range coulomb 2020-08-06T16:09:36-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8826ea91e28de3016b856732c614bb0de5113a3d inherited single function doesn't match, we need to set single_enable to 0 2020-08-06T16:09:21-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0d677321d87b1ff241e06e0d26790bc6d44ee35c more tests for coreshell 2020-08-06T15:50:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad9483343cd49cb46fd9e2b536fcf725893ef61a reformat pair_coeff section 2020-08-06T15:49:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e93e49a7773d144d0468025751853d5ea80e4fc6 restore printing alphabetically sorted lists of missing styles 2020-08-06T15:30:52-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7774548885314ec6d5ec62b07b3c26c7e3dc040 add unittest for pppm/tip4p with kspace_modify diff ad and fix related bug in... 2020-08-06T14:42:15-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/89694d3f8ee7d0d6efecad57e437955cc6853d98 small tweak 2020-08-06T11:45:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/15db052c80916a319e743a439f2bd660f3e0ed8e Merge branch 'master' into collected-small-changes 2020-08-05T22:10:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c3075250eefb77b5f3fa78520ff978b5f367f281 Merge pull request #2273 from abhiShandy/pair-tests-aug4 2020-08-05T22:09:28-04:00 Axel Kohlmeyer akohlmey@gmail.com Bunch of units tests for pair-style, angle-style, bond-style https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/787d7d28d022e49fd5c5fd01c3872ff59f4c054c Merge pull request #1296 from Adrian-Diaz/multi-comm-tiled 2020-08-05T21:27:33-04:00 Axel Kohlmeyer akohlmey@gmail.com updated comm tiled to have multi style ghost communication https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ae3df83ed8b09e779ad6196b84125d6463c15334 Merge pull request #2275 from stanmoore1/kk_hip 2020-08-05T19:52:35-04:00 Axel Kohlmeyer akohlmey@gmail.com First set of changes for Kokkos HIP https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/458243604bf5981ea5553dc31f3d9e48cc27021b change atom style tests expand covered code paths: tiled vs. brick comm,... 2020-08-05T19:27:59-04:00 Axel Kohlmeyer akohlmey@gmail.com change atom style tests expand covered code paths: tiled vs. brick comm, orthogonal vs. triclinic. relax floating point check precision https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f83edd127517f024c5a24a09c0cea58da5827ba remove references to non-existent MPI_Statuses 2020-08-05T17:24:09-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac08bcadf705b2e5f06e8891be80515ac7b2a343 use bbox keyword on some replicate commands to increase code coverage 2020-08-05T18:49:05-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0e7c5a014d1e2725455f70d2200605b75405c111 Merge pull request #2276 from rbberger/fmtlib-upgrade 2020-08-05T18:34:34-04:00 Axel Kohlmeyer akohlmey@gmail.com Upgrades the fmt library to version 7.0.2 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65574be1783e05284d33a1aadc62a51932faeb36 whitespace fixes 2020-08-05T17:52:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/304d6876f4e4079ff9d31a201fe18b7c82e62779 a few bug fixes for support for multi and triclinic in CommTiled 2020-08-05T15:44:02-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8f84b6cbe6ffe179f6ec27ed445a0934643bdcd6 Merge branch 'fix_typo_doc_dpd' of github.com:pdebuyl/lammps into collected-s... 2020-08-04T19:42:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d53fc62fb0652f34ff2020dfe635bb8a4b4703d1 change fmtlib internal namespace from v7 to v7_lmp to avoid clashes when... 2020-08-04T19:18:44-04:00 Axel Kohlmeyer akohlmey@gmail.com change fmtlib internal namespace from v7 to v7_lmp to avoid clashes when linking with other fmtlib variants https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8558e9bd45b38618b42a8d02fae1a8af3f8f2608 fix bug when applying floating point output formatting to integers 2020-08-04T19:10:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/67a9856e0c6e3ce56431d50458d179d9cd70123e silence compiler warning when converting MAXBIGINT to a double 2020-08-04T19:07:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ae765f9d6e0b6764214a3689d91d924ae7ae86af Add missing KOKKOS_INLINE_FUNCTION 2020-08-04T17:03:54-05:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1a642d36ae25447b68ab0e0f50ec3c7eeaf2fe53 fix typo in the math of pair style dpd doc 2020-08-04T22:50:26+02:00 Pierre de Buyl pdebuyl@pdebuyl.be - missing closing backticks for math - V fixed to v for relative velocity https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0b6c7ba502ae9c48787c5fd2fd32a621e58d89ba Add missing KOKKOS_INLINE_FUNCTION 2020-08-04T13:07:35-05:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/72949363225fba5d03f41e6f6b417f8980a7e43f Add missing fmt license 2020-08-04T13:39:18-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c6f5640d48ff443247a0ac7554c7a42b73d2e72d Simplify #ifdef 2020-08-04T11:25:42-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fe7be0d371ea0f4b35bff126fe1a8e34dbe16e9 Reapply fmt patches for Intel compiler issues 2020-08-04T13:18:54-04:00 Richard Berger richard.berger@temple.edu - work around issue of the Intel compiler disguising as clang on MacOS - {fmt}: don't use [[gnu::fallthrough]] on intel compilers https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/63cbbf96059e877ecd2de3f6446f33e14d5fdc6a Upgrade embedded fmt library to v7.0.2 2020-08-04T13:17:57-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ed566bf6af0d9d8a489ec3a9df78659daedd4c74 First set of changes for Kokkos HIP 2020-08-04T12:16:26-05:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e860779fa0d87a91ac25adc9b7a388e133d0c59b formatting update 2020-08-04T07:17:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/357716ec4c4ffff64fcacbcd49c3912fffcfcad9 correctly check of mu and torque flags as those data structures are always ac... 2020-08-04T07:17:12-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f9539f9ca670ffaf2752d305e9584390b8af2479 remove unused code 2020-08-04T07:08:55-04:00 Axel Kohlmeyer akohlmey@gmail.com