Commit Graph

321 Commits

Author SHA1 Message Date
73c7ed1e9c start test for atom style charge 2020-06-17 01:42:41 -04:00
e88bb9dd59 call MPI_Finalize() so we don't have spurious memory leaks from MPI reported by valgrind 2020-06-17 01:42:17 -04:00
61ace42e72 check status of all per-atom fields 2020-06-17 01:25:56 -04:00
49af2c25ec add tester for atom styles 2020-06-17 00:11:18 -04:00
436c7615e0 set metal units and add option to do verbose execution to EIM potential tester 2020-06-16 06:37:09 -04:00
b5a809413e set units for potential file reader tests. allow verbose execution. 2020-06-16 06:19:31 -04:00
9c3d108bbc enable aligning consecutive assignments 2020-06-13 02:05:13 -04:00
3db944decc apply clang-format settings to the c++ sources in the unittest tree 2020-06-13 01:54:58 -04:00
644ef3da4c add LAMMPS copyright header 2020-06-01 19:08:59 -04:00
1375c154f9 Update pair eim 2020-05-29 14:58:04 -04:00
10b0d60709 Fix typo 2020-05-29 14:56:10 -04:00
5a4bbcc37a Update pair vashishta 2020-05-28 16:17:15 -04:00
cadc374e0b Update pair nb3b harmonic 2020-05-28 16:05:56 -04:00
e206647717 Update pair gw zbl 2020-05-28 15:56:36 -04:00
2632d30970 Update pair gw 2020-05-28 15:44:53 -04:00
f5d8417d96 Update pair tersoff zbl 2020-05-28 10:36:20 -04:00
c0324e55ad Update pair tersoff mod c 2020-05-28 10:06:43 -04:00
8329a5498b Move NPARAMS_PER_LINE to parent classes 2020-05-28 09:48:34 -04:00
2eaf710488 Hide stdout during tests 2020-05-28 08:01:54 -04:00
507064d45d Add Tersoff potential file read test 2020-05-27 13:13:50 -04:00
6d339c8b03 Add unit tests for PotentialFileReader 2020-05-27 13:02:39 -04:00