|
|
9fb8cc1d17
|
drafting error urls for nbin classes
|
2025-01-25 14:59:55 -07:00 |
|
|
|
a771277a6c
|
Merge branch 'develop' into add-error-explanations
|
2025-01-23 11:35:55 -05:00 |
|
|
|
cc36947449
|
make use of new Error class APIs
|
2025-01-22 22:15:08 -05:00 |
|
|
|
3012e02de1
|
Merge branch 'develop' into add-error-explanations
|
2025-01-22 18:26:21 -05:00 |
|
|
|
e548c656ce
|
Merge pull request #4435 from athomps/hybrid-scaled-peratom
Hybrid scaled peratom
|
2025-01-22 18:00:18 -05:00 |
|
|
|
0767de7eeb
|
Merge pull request #4439 from akohlmey/arm-cpu-unittest
Add Workflow for running ctest on Linuix with ARM64 CPU
|
2025-01-21 19:56:42 -05:00 |
|
|
|
4912f1347c
|
Merge pull request #4399 from stanmoore1/kk_bug_fixes
Fix issues in KOKKOS package
|
2025-01-21 19:56:11 -05:00 |
|
|
|
4fdd85df4f
|
Need local capture for lamdas on GPUs
|
2025-01-21 16:13:52 -07:00 |
|
|
|
fbfdcbbac1
|
Merge branch 'develop' into kk_bug_fixes
|
2025-01-21 14:50:34 -07:00 |
|
|
|
96d44c729b
|
Fix more issues in Kokkos fix langevin gjf option
|
2025-01-21 10:51:40 -07:00 |
|
|
|
45222b3f9a
|
run check only after merges (for now)
|
2025-01-21 10:03:51 -05:00 |
|
|
|
2d3cd6a646
|
skip known to be unstable unit tests
|
2025-01-21 01:46:08 -05:00 |
|
|
|
f10d1a30fc
|
increase epsilon for passing tests on Linux ARM64
|
2025-01-21 01:45:49 -05:00 |
|
|
|
911fd0946c
|
add github action to run unit tests on ARM64
|
2025-01-21 00:24:10 -05:00 |
|
|
|
3c02731362
|
Merge pull request #4438 from akohlmey/collected-small-fixes
Collected small changes and fixes
|
2025-01-21 00:01:42 -05:00 |
|
|
|
a7af0fc078
|
Fix warnings
|
2025-01-20 22:00:34 -07:00 |
|
|
|
d614aeb91d
|
Fix small memory leak, add debug RNG
|
2025-01-20 17:37:32 -07:00 |
|
|
|
9cb67de38f
|
Merge branch 'develop' of github.com:lammps/lammps into kk_bug_fixes
|
2025-01-20 15:50:48 -07:00 |
|
|
|
29397b4a44
|
Fix more issues in fix langevin/kk pointed out by @ndtrung81
Co-authored-by: Trung Nguyen <ndactrung@gmail.com>
Co-authored-by: Stan Moore <stanmoore1@gmail.com>
|
2025-01-20 15:50:21 -07:00 |
|
|
|
292ae27f98
|
use ioffset variable to indicate the first argument that is not fixed
also, convert all error messages to use the new style.
|
2025-01-20 14:57:11 -05:00 |
|
|
|
a5b66f02d1
|
update docs
|
2025-01-18 22:19:43 -05:00 |
|
|
|
d99c960eb9
|
resolve unit test failures due to enhanced error handling
|
2025-01-18 21:40:48 -05:00 |
|
|
|
9cca8ab179
|
modernize
|
2025-01-18 15:54:34 -05:00 |
|
|
|
2817ad036f
|
make coverity scan happy
|
2025-01-18 11:54:48 -05:00 |
|
|
|
c2bcf79196
|
avoid divisions
|
2025-01-18 11:45:27 -05:00 |
|
|
|
0501f76fcf
|
follow LAMMPS programming style more closely
|
2025-01-18 11:37:53 -05:00 |
|
|
|
7b994801b5
|
constant was denormal. increase to become normal
|
2025-01-18 11:37:20 -05:00 |
|
|
|
23c63511f0
|
no hiden tabs, use string escapes instead.
|
2025-01-18 11:08:25 -05:00 |
|
|
|
7ffe04ca92
|
discuss that only turning off bonds can lead to "bond atom missing" errors
also make notes and this warning stand out more by using adminition boxes
|
2025-01-18 09:08:08 -05:00 |
|
|
|
efd5165707
|
avoid segfaults if there was no input processing
|
2025-01-17 23:27:36 -05:00 |
|
|
|
e38c13a764
|
add strcompress function and use it for error output
|
2025-01-17 22:59:44 -05:00 |
|
|
|
e350f28e26
|
refactor how error output is created and only print input and parsed line if they differ in text
|
2025-01-17 18:06:31 -05:00 |
|
|
|
9b443c9a4d
|
add utility function to compare two string while ignoring whitespace
|
2025-01-17 14:06:30 -05:00 |
|
|
|
90416b63fc
|
move misplaced break statement
|
2025-01-17 13:14:51 -05:00 |
|
|
|
ea9345444a
|
Merge branch 'collected-small-fixes' of github.com:akohlmey/lammps into collected-small-fixes
|
2025-01-17 10:41:12 -05:00 |
|
|
|
b9dbfc6eb2
|
add support to flag failed arguments for calls to expand_args()
|
2025-01-17 10:40:34 -05:00 |
|
|
|
5a45ef6994
|
explain error message output for users
|
2025-01-17 10:35:34 -05:00 |
|
|
|
0cb64afc84
|
explain error message output for users
|
2025-01-17 09:13:55 -05:00 |
|
|
|
7c4649adbf
|
update TODO list and changelog
|
2025-01-17 08:43:46 -05:00 |
|
|
|
a4cc00041c
|
add notes about errors and warnings and log output
|
2025-01-17 05:13:25 -05:00 |
|
|
|
1e179b2432
|
address warnings reported by coverity scan
|
2025-01-17 05:12:40 -05:00 |
|
|
|
3b815c1bbe
|
remove dead code
|
2025-01-16 22:02:11 -05:00 |
|
|
|
cf7695e99f
|
add option to restart the LAMMPS instance to "Run" menu
|
2025-01-16 21:43:36 -05:00 |
|
|
|
1636a11054
|
fix minor issues
|
2025-01-16 21:22:41 -05:00 |
|
|
|
fa54fd1097
|
add option to suppress printing the last command
|
2025-01-16 21:11:27 -05:00 |
|
|
|
b9a5557911
|
Added support for single() and born_matrix()
|
2025-01-16 14:36:44 -07:00 |
|
|
|
da5a12fcd1
|
increase visibility of highlighting the failed argument
|
2025-01-16 11:39:53 -05:00 |
|
|
|
6c16b1de74
|
must not set to unique if request is for skip list. only check for smallest pair cutoff.
|
2025-01-16 10:26:48 -05:00 |
|
|
|
f273116681
|
prevent the neighbor list re-ordering from getting stuck
|
2025-01-16 10:18:16 -05:00 |
|
|
|
82598ab3ca
|
display error messages with fixed width font
|
2025-01-16 00:39:02 -05:00 |
|
