lammps:f895904d2c4492aa516b2c18fe94b1900adb0743 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/f895904d2c4492aa516b2c18fe94b1900adb0743 2020-08-04T02:18:06-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f895904d2c4492aa516b2c18fe94b1900adb0743 Merge branch 'pair-tests-aug4' of github.com:abhiShandy/lammps into pair-test... 2020-08-04T02:18:06-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5592bac69c695344228e1a41e88966e05c1c45fa Merge branch 'bond-styles-Aug4' into pair-tests-aug4 2020-08-04T02:17:06-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/59c5a62a00a394b5fc939f247c28fab842fa35bd Merge branch 'angle-tests-Aug4' into pair-tests-aug4 2020-08-04T02:16:57-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/feadfaf9bec683f90263b85439261ee84202d555 unit tests for angle-class2/p6, angle-cross and angle-mm3 2020-08-04T02:15:11-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eed71135066537305b98982301e4b97b02b406ab tests for fene, fene/expand 2020-08-04T01:57:23-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f407db6198b2c6b7d7fb76e1c6961f42433194a3 add test for lj/cut/tip4p/cut 2020-08-04T00:11:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b21737574450e02b0432e3409f4a9a4e6a8e86c8 add tests with AD instead of IK 2020-08-03T23:45:46-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/83519290e7e445c81958b3577dc804a3218e6874 add kspace tests with slab correction and pppm/stagger 2020-08-03T23:31:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ef8b619840f75d114f441296992e3493a5e012b6 fix missing support for nozforce in ewald/omp 2020-08-03T23:21:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4e46c0aef4d704249344c71a231372df2c863f76 add missing born/coul/long variant using tabulation 2020-08-03T23:02:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d89a047461a6624d868f77b9d53444915870ab65 Simplify write data code 2020-08-03T22:08:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6bc65dc14c55f02d43fc8ba54a9a3d2285606617 reference typos in doc 2020-08-03T20:49:02-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a921c44a4f650021bf57656497d3b581642a8ff5 fix bug in writing data 2020-08-03T20:48:37-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/de828fceafa7aa23ce9b65e491023c05fe3b708d test for cosine/squared 2020-08-03T20:48:11-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/33aa96b1bf10536907a32df204236e64d7e0033b test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc 2020-08-03T20:07:24-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6576c4cbf35c2badc66c27a5e3a368e47fdad4bc Merge pull request #2260 from akohlmey/collected-small-changes 2020-08-03T18:02:17-04:00 Axel Kohlmeyer akohlmey@gmail.com Collected small changes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ca7039aa96154c3c516fe07fcd374cb705c1bb88 Merge pull request #2271 from abhiShandy/pair-tests-Aug3 2020-08-03T17:23:22-04:00 Axel Kohlmeyer akohlmey@gmail.com Unit tests for born/coul, ufm, yukawa, soft https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/436951fb34abba0c4d086a695753299c0790d1d8 Merge pull request #2270 from akohlmey/check-test-coverage 2020-08-03T16:47:49-04:00 Axel Kohlmeyer akohlmey@gmail.com Add utility to check for missing force style tests https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d0be21941939e7445d9c9cc19921240806e38390 Refactor check-styles.py 2020-08-03T14:26:55-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f9d1a914fbb257aea19e1e33617b3e679f60fdd8 Update check-packages.py 2020-08-03T13:49:37-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4549493145762473079844283f1d950894d74a37 Refactor check-packages.py 2020-08-03T13:47:40-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/23a8b3438dfb4a57d8f4c805ea4a31d60699069e Merge pull request #2267 from abhiShandy/force-tests 2020-08-03T11:41:16-04:00 Axel Kohlmeyer akohlmey@gmail.com unit tests for beck, morse, few LJ derivatives, few buck/coul and born/coul https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d09d40af9df483d9b600bf423a6bd8d5c710918a make check for alternate linke more restrictive: also check for linker binary. 2020-08-03T11:36:02-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/865e853a419cf11b156e699b4ec6749fe2b978f4 Refactor check_tests.py 2020-08-03T10:37:45-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9bc1da64fbdf86646ddef57674b305e1160edfab pair style gauss does not apply special_bonds 2020-08-03T08:42:36-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7e5e741ea1597bbcff7eaefb97b9360fc25ca5b8 update code for ufm/gpu to match changes in base class where uf4 is removed 2020-08-03T08:12:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d271ee65e8a46435ffd620cb9002c65e877f6fa8 Merge branch 'pair-tests-Aug3' of github.com:abhiShandy/lammps into pair-test... 2020-08-03T08:03:01-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f3d7f0be2d799edf5cc3bdef9ff4b7e452fbaa45 update test reference data for pair style ufm 2020-08-03T08:01:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/69688bbc1a02f4784f3e9bfbb37660c10b35c263 must initialize scale array entries when using mixed parameters 2020-08-03T08:01:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c171b2ceda7e59d80953e44710c56cb151c0eec4 fix incomplete restart bug in pair style ufm 2020-08-03T08:00:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ad6b37d6884934e704b41a14fb11c5148a47c029 bug in forcelj of gauss_omp 2020-08-03T08:00:41-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d241b17c8e6116787b005307c2f7b3686c96d4cb remove unused setting and array 2020-08-03T07:44:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86c6efc04cc0a8d6c255626402710cd29742692f sort list of missing styles alphabetically 2020-08-03T07:30:15-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bb183345bb7aa96e0e802cef7f796dbe8259164b remove obsolete function 2020-08-03T07:29:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/10c0b8d90ede7798a4ec3cf75cdc2c689ad515a1 passing test for soft 2020-08-03T06:23:23-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/80ceff55d5952a9926dac220d18a52d2b43d164b failing test for UFM, with cosmetic change in its CPP, and doc correction 2020-08-03T06:01:59-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8eb84229bd8164104607110e57f1984570f78f86 passing tests for born-coul, gauss and yukawa 2020-08-03T05:59:44-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/90028a3c71053a794ddada922f913e7b003ed439 properly handle hybrid styles when checking for missing tests 2020-08-03T00:43:41-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/896a08883b1354cc4f623b72c039ae0160824a54 add a custom python script to check the completeness of tests inputs 2020-08-03T00:12:51-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bbb4c396920141c93f62d81f881ad534dff734bf Merge branch 'wip-tests' into force-tests 2020-08-01T14:53:10-04:00 Axel Kohlmeyer akohlmey@gmail.com