2258 Commits

Author SHA1 Message Date
58948b71a9 add tests for run command 2025-07-16 17:50:15 -04:00
f80b015e27 output message of incorrect exceptions 2025-07-16 17:50:05 -04:00
ab6de4c384 test velocity command 2025-07-16 14:17:32 -04:00
13d3cfa2b6 more test coverage for utils::bounds() 2025-07-16 12:52:18 -04:00
3daa0c0726 add tests for utils::logical() and utils::*numeric() 2025-07-16 09:54:25 -04:00
b37ebc6b33 add tests for utils::check_packages_for_style() 2025-07-16 07:23:41 -04:00
d542651d60 consolidate redundant functionality into one function 2025-07-16 07:15:42 -04:00
a19cb93558 add test for utils::point_to_error() 2025-07-16 04:41:37 -04:00
88cb95f2ad add tests for utils::print() with/without file pointer and with/without format 2025-07-15 20:04:47 -04:00
8c564460e6 Merge branch 'develop' into improve-tests-for-set 2025-07-15 19:32:02 -04:00
35fcf5775c hack trying to appease macOS 2025-07-09 23:16:34 -04:00
0c8ac043e6 Merge branch 'develop' into collected-small-changes 2025-07-09 10:43:32 -04:00
fd86feae7f Merge branch 'develop' into backport_bugfixes 2025-07-07 13:45:51 -06:00
25556a1bc1 add unit tests for additional conditions for splitting strings 2025-07-07 07:10:22 -04:00
d20ef0d734 modify processing of ternary() so that only the first and one of the other arguments are evaluated 2025-07-04 19:09:52 -04:00
49bac65477 Merge branch 'develop' into improve-tests-for-set 2025-07-03 17:01:31 -04:00
df20f1f3fd update and relax epsilon ARM64 2025-07-03 15:45:04 -04:00
04b5f042d2 Merge branch 'develop' into improve-tests-for-set 2025-07-03 05:42:23 -04:00
76d6117c6f add tests for fix set to tests for changing types and charges 2025-07-02 18:38:37 -04:00
b972821896 Merge branch 'develop' of github.com:lammps/lammps into backport_bugfixes 2025-06-30 20:51:38 -06:00
60b9fdf897 improve error messages 2025-06-30 22:17:51 -04:00
4680fa669c relax epsilon to pass tests on macOS 2025-06-29 22:40:52 -04:00
3ae21e0bfb Merge remote-tracking branch 'github/develop' into collected-small-changes 2025-06-29 22:32:43 -04:00
087b9a3b6e bugfix for improper style class2/kk taken from PR 4593
passes unit test for Kokkos/OpenMP
2025-06-29 18:18:24 -04:00
109aec74ea remove one more implicit truncation of precision. update unit test again. 2025-06-28 02:06:49 -04:00
3dd0971aeb update unit test reference 2025-06-27 22:06:09 -04:00
e41fb67903 update unit tests for changes to tabulated coulomb 2025-06-27 21:48:03 -04:00
77ea2b3af0 update unit tests for missing error->message() 2025-06-26 18:37:44 -04:00
96d1704b8e need another epsilon relaxation 2025-06-25 20:21:23 -04:00
6934a31878 relax epsilon again to pass test on macOS 2025-06-25 19:30:19 -04:00
cb9b0cdaf2 update unit test and its epsilon due to removal of single precision math in pair style 2025-06-25 19:01:18 -04:00
b3c403f464 run KOKKOS force style unit tests with serial when OpenMP is not available 2025-06-22 18:29:45 -04:00
b036c911e7 fix copy-n-paste bug 2025-06-20 14:23:22 -04:00
bb0bd289b7 update unit tests 2025-06-20 08:38:09 -04:00
8c0894fa84 fix issues causing failed tests 2025-06-18 07:49:15 -04:00
004816a4ba update tests for changed argument names 2025-06-18 07:09:03 -04:00
3f6dfa27bd apply pylint and refactor accordingly 2025-06-18 06:51:17 -04:00
7fb930daed start adding tests for JSON format molecule files 2025-06-15 00:00:59 -04:00
ece4939708 Merge branch 'develop' into fix-set-command 2025-06-04 16:22:45 -04:00
3086e6e0ec Merge branch 'develop' into collected-small-fixes 2025-06-02 20:50:45 -04:00
d7cee3e71d remove undesired "generated" tag 2025-05-31 02:31:25 -04:00
129a3a83e5 Merge branch 'develop' into fix-set-command 2025-05-29 05:21:46 -04:00
be59eb6a70 fix up two more inconsistent definitions 2025-05-28 21:38:14 -04:00
8f07b44dce Merge branch 'cmake-adjustments' of github.com:akohlmey/lammps into cmake-adjustments 2025-05-28 21:35:42 -04:00
3552847957 consistent use of definitions to avoid CMake adding spurious '-D' prefixes 2025-05-28 21:35:33 -04:00
1ddc64b885 eliminate warning (doesn't change results since we don't compute pair forces) 2025-05-28 16:47:55 -04:00
b92414349d update expand_args() unit tester with new error message 2025-05-20 21:49:28 -04:00
271bdc1af7 alternate way to specify defines for MPI tests 2025-05-20 13:56:36 -04:00
380c878e5f Merge remote-tracking branch 'github/develop' into cmake-adjustments 2025-05-19 22:15:51 -04:00
09b174d129 turn off C++ support 2025-05-19 21:15:00 -04:00