|
|
591d20b00d
|
Merge branch 'develop' into quick-regression
|
2024-08-31 23:16:27 -04:00 |
|
|
|
6fb50cbdc1
|
integrate quick regression support into regression tester
|
2024-08-31 23:16:02 -04:00 |
|
|
|
62bfd7dc74
|
Move Linux unit test workflow to PR #4304
|
2024-08-31 16:05:55 -04:00 |
|
|
|
05e836f50e
|
Merge pull request #4297 from akohlmey/next_release
Update version strings for release
patch_29Aug2024
|
2024-08-29 20:26:41 -04:00 |
|
|
|
317fb8d537
|
Merge pull request #4301 from stanmoore1/reaxff_overflow_errors
Gracefully error out if integer overflow in ReaxFF or QEq
|
2024-08-29 20:19:29 -04:00 |
|
|
|
4aca808da6
|
Casts need to be bigint
|
2024-08-29 17:40:38 -06:00 |
|
|
|
7a9f0cd60d
|
Fix potential overflow in Kokkos neighbor counting
|
2024-08-29 14:40:50 -06:00 |
|
|
|
6fd022695a
|
Tweak error message
|
2024-08-29 14:23:49 -06:00 |
|
|
|
571076a5a7
|
Gracefully error out if integer overflow in ReaxFF or QEq
|
2024-08-29 14:18:08 -06:00 |
|
|
|
2581b1abfe
|
update change log info for flatpak
|
2024-08-28 22:13:04 -04:00 |
|
|
|
a2138b79d6
|
Merge branch 'develop' into next_release
|
2024-08-28 22:12:31 -04:00 |
|
|
|
d48ca258fa
|
Merge pull request #4209 from akohlmey/plumed-plugin
Add support to build the PLUMED package as a plugin
|
2024-08-28 19:10:46 -04:00 |
|
|
|
2d3cd2a0b9
|
fix typo in the per-job artifact names
|
2024-08-28 17:22:13 -05:00 |
|
|
|
a1a3e4e5b7
|
name the artifacts with their matrix idx
|
2024-08-28 16:45:00 -05:00 |
|
|
|
04bd62a677
|
add another job with the action merge
|
2024-08-28 16:13:10 -05:00 |
|
|
|
796a0f18d3
|
upload per-job artifacts, try action merge in a separate job
|
2024-08-28 16:07:13 -05:00 |
|
|
|
5306f5ff18
|
provide path to the artifacts
|
2024-08-28 15:35:25 -05:00 |
|
|
|
aa088da59b
|
pack test output into separate artifacts
|
2024-08-28 14:43:27 -05:00 |
|
|
|
af5f437aeb
|
update list of dependencies
|
2024-08-28 15:30:44 -04:00 |
|
|
|
acfed12684
|
avoid recursion. there is only one executable.
|
2024-08-28 15:12:46 -04:00 |
|
|
|
4e40b4ba63
|
upload the artifacts of the full regression test workflow
|
2024-08-28 14:11:23 -05:00 |
|
|
|
c60e69ea1e
|
have a single job definition with matrix strategy, the build and env do not persist between jobs
|
2024-08-28 14:06:40 -05:00 |
|
|
|
4e8c1f3284
|
Merge branch 'develop' into plumed-plugin
|
2024-08-28 14:28:05 -04:00 |
|
|
|
f5ffb28a1f
|
use the log file with 1 proc in serial runs, removed examples/bpm/impact/brokenDump
|
2024-08-28 12:57:58 -05:00 |
|
|
|
0ad64045f5
|
Merge pull request #4298 from akohlmey/collected-small-fixes
Collected small fixes for LAMMPS and LAMMPS-GUI for the stable release
|
2024-08-28 11:54:27 -04:00 |
|
|
|
f2102b76f2
|
cosmetic
|
2024-08-28 11:09:47 -04:00 |
|
|
|
78310bddcf
|
update docs for LAMMPS-GUI plugin changes and document flatpak build
|
2024-08-27 21:43:00 -04:00 |
|
|
|
932eaf864a
|
must register variant for QList<QString> before using QSettings
|
2024-08-27 21:19:09 -04:00 |
|
|
|
99e5b06279
|
make plugin path canonical
|
2024-08-27 17:18:11 -04:00 |
|
|
|
98b4771ed6
|
sanity check
|
2024-08-27 17:18:01 -04:00 |
|
|
|
c01585e8b2
|
revise plugin loading logic
|
2024-08-27 17:02:17 -04:00 |
|
|
|
49d664583a
|
correct define
|
2024-08-27 17:00:42 -04:00 |
|
|
|
4060de6a9c
|
make handling of plugin path and recent files more consistent
|
2024-08-27 14:27:39 -04:00 |
|
|
|
83aab0f425
|
add option to set plugin path from the command line
|
2024-08-27 10:40:24 -04:00 |
|
|
|
d8b9679b87
|
fix cut-n-paste issue
|
2024-08-27 10:10:29 -04:00 |
|
|
|
5fbdf155e5
|
remove unused variables
|
2024-08-27 08:57:42 -04:00 |
|
|
|
2ebe1f019f
|
avoid uninitialized data access in case there are no atoms owned by a process
|
2024-08-26 21:14:44 -04:00 |
|
|
|
a59ac7ec86
|
Reduced the timeout for quick reg tests
|
2024-08-26 17:43:36 -05:00 |
|
|
|
6e791034f9
|
Merge pull request #4295 from akohlmey/collected-small-fixes
Updates for LAMMPS-GUI
|
2024-08-26 14:03:41 -04:00 |
|
|
|
ac90dca5a1
|
whitespace
|
2024-08-26 11:38:26 -04:00 |
|
|
|
4e590507f0
|
Merge remote-tracking branch 'github/develop' into collected-small-fixes
|
2024-08-26 11:37:56 -04:00 |
|
|
|
121195d19d
|
Merge pull request #4290 from lammps/doc-page-ke-tensors
Amend doc page explanations of vector outputs from the various compute temp commands
|
2024-08-26 11:18:19 -04:00 |
|
|
|
d9a2fd9f36
|
kokkos: move #endif to correct location
|
2024-08-26 10:54:14 -04:00 |
|
|
|
dc66929e65
|
Merge pull request #4293 from jrgissing/bond_react_fixes_summ24
Bond/react: fixes and error checking
|
2024-08-26 10:45:32 -04:00 |
|
|
|
d1f141c962
|
Merge branch 'develop' into plumed-plugin
|
2024-08-26 04:17:04 -04:00 |
|
|
|
99153f20be
|
refactor how reactions are skipped
better treatment of allowing all possible reactions when using 'overlap' keyword of 'create_atoms' feature
|
2024-08-25 21:55:19 -04:00 |
|
|
|
1148f5f5c8
|
cast into PosixPath to str before writing to file
|
2024-08-25 16:41:26 -05:00 |
|
|
|
9f20e5b7f7
|
put a timeout for a run, specified in the config file
|
2024-08-25 16:19:52 -05:00 |
|
|
|
04400e10a8
|
Updated the regression tester run_tests.py to handle list of input scripts
|
2024-08-25 16:02:16 -05:00 |
|
|
|
fa373eb685
|
update pending version tags with planned release date
|
2024-08-25 16:39:13 -04:00 |
|
