lammps:ed566bf6af0d9d8a489ec3a9df78659daedd4c74 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/ed566bf6af0d9d8a489ec3a9df78659daedd4c74 2020-08-04T12:16:26-05:00 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/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 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eb91c6feb67b0e48ca1d368dcad391ed5900bce8 correct data file output format for ZBL style. update reference output. 2020-08-01T14:43:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cc87557fa79cb608ec38ebfbca6f2a69f8336225 tweak parameters for lj/expand to stabilize test run 2020-08-01T14:24:50-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6827eb80a82297e4a6e4589bd530ae9cc2b61df2 fix missing initialization bug in lj/cut/coul/wolf and update reference data 2020-08-01T14:18:40-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a4db52c30fbbbbccad3886e53a666744ee6147d4 tweak potential parameters for better stability of test run 2020-08-01T14:05:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4c3dc9566c8416e692f96622665c91d02380a3a1 need to explicitly clamp the forces and energy in single function to zero at... 2020-08-01T14:05:04-04:00 Axel Kohlmeyer akohlmey@gmail.com need to explicitly clamp the forces and energy in single function to zero at (implicit) pairwise cutoff https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/891be9313a4f16163426c67ff1fe3b215e3ad3a1 fix parameters initialization bug in pair style lj/cubic 2020-08-01T13:37:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7158f47157837f229cc0143ba72ead121d10a9e0 bugfix for pair style buck/coul/cut 2020-08-01T11:15:07-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/34279840fcf97f1ece95e8bdc63a4227b9b5f872 unit tests for few buck/coul and born/coul; remove mixing from buck 2020-08-01T08:52:07-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d15db7b5a70d7b921028c55512739396295def05 fix the atomic numbers in ZBL test 2020-08-01T07:49:06-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/86c53cb211ef9672d649e7127a4cf9db8ac4c0ba unit tests for few LJ derivatives and ZBL 2020-08-01T07:39:33-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2a487f5f470653ba85c30df0e59ed777c1af6154 unit tests for beck, morse, and few LJ derivatives 2020-08-01T07:27:39-04:00 abhishandy abhishek.sandy@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/729cc81f31f6d5b1bd0e7884de9bd8c6c5de9738 make more use of utils::logmesg() 2020-07-31T22:16:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/74f50ed1bdb98e683e276e4d3891bddff2f7567f Merge branch 'master' into collected-small-changes 2020-07-31T21:51:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/75dcd9ae299575bba54fb7a8f7e9bad01deaa7f0 Merge pull request #2266 from Vsevak/fix_opencl 2020-07-31T21:50:33-04:00 Axel Kohlmeyer akohlmey@gmail.com Fix handling of CL_DEVICE_TYPE flags