lammps:f3b0bf8a33380b558f5935e653f909245b654835 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/f3b0bf8a33380b558f5935e653f909245b654835 2020-08-20T16:59:31-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f3b0bf8a33380b558f5935e653f909245b654835 Merge branch 'master' into reduce-kokkos-compiler-warnings 2020-08-20T16:59:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0335fabb1e96b49637b66c0e6ec41c4ba2a25e6 Merge pull request #2295 from akohlmey/add-fix-momentum-chunk 2020-08-20T16:40:51-04:00 Axel Kohlmeyer akohlmey@gmail.com Add fix momentum/chunk https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/af50d90b551bdcb1bf9cb8fef61c939ae715baa3 add author to README 2020-08-19T15:15:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/20c24b1f3b381c6ebbc2a73e3721d249c7d96b68 add tests for momentum fixes and nve/limit 2020-08-19T15:08:46-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b1fbee9bd0cdec20515bf529cfd963a2a255271c skip testing fix nve/limit for r-RESPA as it is not compatible by design 2020-08-19T15:08:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a0aca4cee41d657e55b72804f2476fa9226ec486 improve error message 2020-08-19T15:08:04-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b4ce4a0979a8c4a87f071e26574a6b7bc8fae947 must delete internal computes if they already exist (e.g. after a restart) 2020-08-19T15:07:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/acd0a62de72bbb6d5431be3b65e8e5b8ad4f36e8 add new fix style momentum/chunk 2020-08-19T14:44:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e9de1c1a9ae2651bdeee741df6a76df345d8655b Merge pull request #2293 from akohlmey/collected-small-changes 2020-08-19T11:11:43-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes and fixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f7c6e8e6b191357728def8511fabf8ef6180b6ed Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s 2020-08-19T10:50:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1413e615534a38a3a9de04dd284c0f75e50b8cec tweak test presision so it passes with more compilers 2020-08-19T00:59:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7e4e756b23a2c8a41bb734500e70575b131bc8a3 remove dead code 2020-08-18T22:46:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/174a282e0cfd41e98345b802ef248f3edc3099af fix signed vs. unsiged warning 2020-08-18T22:46:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8e74d5ad027414713cdb80d73587cd2bf92890f0 Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s 2020-08-18T21:29:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/43f6fa4b294d231133f5954336df34fbe0d8351e Merge pull request #2136 from rbberger/refactor-reading 2020-08-18T16:18:33-04:00 Axel Kohlmeyer akohlmey@gmail.com Refactor value parsing code segments and add dump tests https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a53ee5664e6df030ee64e1db2d0a3c80928be38b silence compiler warnings about signed vs. unsigned ints 2020-08-18T15:51:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f6ac4a26c46acf81bc9e3043e177104d21533555 reorder initialization in constructor to silence compiler warnings 2020-08-18T15:47:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/02f66f1e9f6465175070b5725e644bb601f67d82 protect pragmas with ifdefs 2020-08-18T15:39:44-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b38bf6c06a3aa442fafd149f84b4951d28cadfb2 silence some more unused parameter/variable warnings 2020-08-18T15:28:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/07c47fbd4a7f0bd35abe9ae0ebf833b0fc598099 silence some more signedness warnings 2020-08-18T15:28:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/63575829da4f3eab1653a8c4b547726777cfc8f6 reorder initialization 2020-08-18T15:26:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e185537255e7cf045ed6c4ecd14d8a7acef21e0a avoid uninitialized access 2020-08-18T14:33:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/78d57142479994c4a85130d44fac0587e5398943 silence signed vs. unsigned integer warnings 2020-08-18T14:33:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a537ffabf9873afd4dc630b718a556a65cacabdd correct illegal and uninitialized data access issue 2020-08-18T14:19:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2fea8f888a7c6312f945d24d74690b80812c2561 Merge branch 'master' into collected-small-changes 2020-08-18T14:15:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/18b12e8979d059c648f7a9729e8e34cd73e8f3e5 Merge branch 'master' into reduce-kokkos-compiler-warnings 2020-08-18T13:50:35-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d63f3d87eb748c0c65dc51a934b0eeb419899e34 Merge pull request #2292 from akohlmey/warning-no-mixing-data-file 2020-08-18T13:45:44-04:00 Axel Kohlmeyer akohlmey@gmail.com Print warning when writing PairCoeff section in data file may not sufficiently reproduce all pair coefficients https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c7f8a6d1541151c85952d3a258d91d2071c0b66f Add format line test to dump atom 2020-08-18T13:15:28-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/72f3c3803ebb1ef5d64e6e2de15df1ff04ce999d Fix warning with #pragma unroll 2020-08-18T11:13:50-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/216a016a084be3f11be3ceb593b410d2415eb2b1 Add simple tests for dump cfg 2020-08-18T12:37:16-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0d38a1418edc6f715305ec403c88bd26e343b27b Merge branch 'master' into warning-no-mixing-data-file 2020-08-18T12:24:01-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6b024d4697a14d2a026757a4f9cd8fd08a30bb9b Merge branch 'master' of github.com:lammps/lammps into reduce-kokkos-compiler... 2020-08-18T10:15:55-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dae2cb2668fd80591fecc275e6c83110c2715b64 Merge pull request #2286 from weinbe2/fea-snap-ui-optim 2020-08-18T11:55:46-04:00 Axel Kohlmeyer akohlmey@gmail.com Kokkos SNAP optimizations – Pre-computing Cayley-Klein parameters, symmetrized data layouts for host and device backends, reducing number of atomics https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9c769fe90e403f1f8ae0fdf2707df934b78af2ab Complete refactor of dump custom tests 2020-08-18T11:53:10-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6dfe2f3351c15c463af9abc44494b1d42c56160e Minor code cleanup 2020-08-18T09:21:28-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d6ea2e9e9b7c74842b22c95430a8e866138b4218 More refactoring 2020-08-17T17:56:33-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e75ba02701160267b9f8a02e937e69a6b00b2dd5 Merge remote-tracking branch 'origin/master' into refactor-reading 2020-08-17T17:36:01-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fa0aa7f8d22eea6e11a8ecf929a1407683441ef7 Merge pull request #2291 from ThFriedrich/master 2020-08-17T12:11:38-04:00 Axel Kohlmeyer akohlmey@gmail.com fix typos and indentations https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/23be41a1d3ff328305a83bc9d5b6e84685f2162d fix typos and indentations 2020-08-16T04:43:07+02:00 Thomas Friedrich thomas.friedrich87@outlook.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0e36c74a8200acc0439a68cbcc4a9441f9d3087 silence more signedness comparison warnings 2020-08-15T18:10:13-04:00 Axel Kohlmeyer akohlmey@gmail.com