lammps:1f1a0f95b2b80d7d769f197e8d13ac7da9d3a717 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/1f1a0f95b2b80d7d769f197e8d13ac7da9d3a717 2019-06-07T10:57:56-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f1a0f95b2b80d7d769f197e8d13ac7da9d3a717 Merge pull request #1497 from junghans/check_for_immintrin 2019-06-07T10:57:56-04:00 Axel Kohlmeyer akohlmey@gmail.com cmake: check for immintrin.h https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2ebc40deb3cb23a061197c1019f83d12ba5420d6 cmake: check for immintrin.h 2019-06-05T11:13:48-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0849e03d1b6d816bd96966c57dbe3ef18ed134c4 Merge pull request #1490 from akohlmey/next_version 2019-06-04T15:23:13-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version number for stable release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/045c312c49bd83b6e212972e1c75b2cdadc3f431 Merge pull request #1489 from akohlmey/cmake-2.8-compatibility 2019-06-04T11:03:22-04:00 Axel Kohlmeyer akohlmey@gmail.com Change test for OpenMP default setting to be compatible with CMake 2.8.x https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47c6cd86f2052f5bf82dd88312524364285df74f Merge pull request #1477 from jrgissing/bond/react-reaction_topology_overflow 2019-06-04T11:02:57-04:00 Axel Kohlmeyer akohlmey@gmail.com Implement fix bond/react reaction topology overflow checks https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/27cd78b96ddec36559e34e4ffd0fd4c0bf5845d3 Merge pull request #1488 from akohlmey/doc-removed-features 2019-06-03T22:58:20-04:00 Axel Kohlmeyer akohlmey@gmail.com Document removed features https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dd97a7540e0f5b2ac7005a9fedeba5af77746f38 Merge pull request #1486 from sstrong99/patch-1 2019-06-03T22:58:02-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix error in E3B documentation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/272c5363265dbcb890f02206ed9ab2f06228c566 use 3 letters for month only 2019-06-03T22:52:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0b13fbe733e853b1e79d013d5b89b4167cfa2e38 step version number for stable release 2019-06-03T22:47:44-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/021f0c1fc601549fba5c6db34d03593d4fa6becc use consistent variable evaluation in if() 2019-06-03T19:50:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5d96ecff254fff90fc9fbdb8afd0dc418e1ad99d fix typo 2019-06-03T19:44:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c76b79f02141f9329caeeecf0b3a5ce84ec216bf chance test for OpenMP default setting to be compatible with CMake 2.8.x 2019-06-03T19:36:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a98162694811396c2a02f652056b644a51c88547 mention restart2data as removed feature as well 2019-06-03T09:01:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f79a9ef805003abb21a645fbc97ad3b6396f21d mention dummy commands with error messages that have been added instead of re... 2019-06-02T21:51:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/674e3975a8e3227ce60ac1d5894a727e0483199d add section to the Commands chapter listing and explaining removed packages a... 2019-06-02T21:47:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d0286b3de1126aaad678c3c9780e28c88c1884d2 remove mention of USER-CUDA package and fix typo 2019-06-02T20:19:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/983f3adbb4fe56a55a6f454899286547feb5b338 bond/react doc final touches 2019-06-02T12:35:38-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/58a88dff950e668328e5587b7951b7a61483aa10 bond/react doc correction 2019-06-02T12:10:43-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0ba38aa072b556e19d5c772ea8c3999e08b78bbb bond/react doc tweak 2019-06-02T12:05:01-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2e63280f87fab9367b056148d97834d163c7bd06 Update fix_bond_react.txt 2019-06-02T11:54:31-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/68eab23cf8e37bd949fa5d05860cf479931afd57 bond/react: doc clarification 2019-06-01T16:24:37-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6175f2dce8937d7155a21b39886d9a1540430e2b Fix error in E3B documentation 2019-05-31T15:03:04-05:00 Steven Strong sstrong99@users.noreply.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dc1e31506ee1a577e03c3069d66e712d79a9c6c8 Merge pull request #1480 from akohlmey/next_version 2019-05-31T14:40:13-04:00 Axel Kohlmeyer akohlmey@gmail.com Step version string for next release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/68d69955d0bebbf8c6a93501aadbaf0d59dcee20 fix off-by-one error 2019-05-31T14:38:12-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f657b91842de2b649c3097828085e717ea7198d step version string for next release 2019-05-31T14:37:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e4fd3dade4e292529b71ae1ab11769a3cbcf534 Merge pull request #1484 from akohlmey/reneighbor-64-bit-restart-fix 2019-05-31T13:05:53-04:00 Axel Kohlmeyer akohlmey@gmail.com Restart updates for fixes atom/swap, deposit, and gcmc https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e05b983c1cc02b5923f93490981311e3d8bea42 Merge pull request #1483 from akohlmey/cmake-workaround-for-gcc-9 2019-05-31T13:05:37-04:00 Axel Kohlmeyer akohlmey@gmail.com Do not enable OpenMP by default for gcc 9.x with CMake https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d8a30a9697127267a64663c855a61470e87b09d5 Merge pull request #1475 from akohlmey/collected-small-changes 2019-05-31T13:05:21-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes for stable release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/972a7a5c4dced1f697ddaecae90e13102f58210f add false positive for spell checking 2019-05-31T05:58:47-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/311aebf7ff0c5e4272357b3500a2d87fcf88ba31 Update Errors_warnings.txt 2019-05-30T23:30:35-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/16a254f6bd89bda076858c6116f1fd50c6cc6de0 Update Errors_messages.txt 2019-05-30T23:29:43-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/80d906d44571ef3652d4735ae32ac7eca9d3a121 bond/react: update error messages 2019-05-30T23:27:23-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8b169d97f5fc063081edaec35764412cc97d12a3 update documentation for updates to fix restarting 2019-05-31T00:58:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f73c848ee404be8a704bf247e42b99b14bf8b6d2 detect and error out when timestep was reset when restarting fixes atom/swap,... 2019-05-31T00:31:36-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4243af30d7ed4781534730adf11c417ffd9148c1 properly store 64-bit integers for next_reneighbor into double type buffers f... 2019-05-31T00:23:12-04:00 Axel Kohlmeyer akohlmey@gmail.com also store number of attemps and number of successes in restart and retrieve those from it https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9d51ee17b0d8f82af96e8da6e610e1258c5d8270 change the default for gcc 9.x and beyond to not enable OpenMP by default eve... 2019-05-30T22:23:50-04:00 Axel Kohlmeyer akohlmey@gmail.com change the default for gcc 9.x and beyond to not enable OpenMP by default even if it is found to be supported this is so that using CMake by default will compile LAMMPS, since gcc 9.x expects different sharing semantics for constants than previous versions. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c903a110fea048b2de3375e550a602565f00a77c fix typo 2019-05-30T18:36:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/02e7dd571660b12eb79c4a2dc2878ce7ff606364 also allow %e in format variables of suffix 2019-05-30T14:52:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1a5c3c6dcbdf0fc35c13b25a02096e991d19a2e0 add check that allows only %f and %g conversions in variable format strings 2019-05-30T14:46:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/daac3f7102f4d12b05d9ec24d13bfdf675496623 Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style 2019-05-30T06:34:56-04:00 Axel Kohlmeyer akohlmey@gmail.com Improved error messages when a style is not found