Commit Graph

20 Commits

Author SHA1 Message Date
5c08ce0818 nb3b/harmonic parameters are in real units 2020-06-29 13:28:32 -04:00
22d8d0d0b0 add tests for potential file reader and untils functions 2020-06-25 08:00:04 -04:00
00332d299b add unit conversion support to pair style tersoff/table 2020-06-24 21:05:00 -04:00
2af8d7a751 add argument passing via TEST_ARGS environment variable to all tests with an explicit main function 2020-06-24 10:17:23 -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
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
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