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6fb318f61c
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Merge branch 'develop' into collected-small-changes
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2025-01-23 20:22:14 -05:00 |
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493ff3017c
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add tool for checking whether fmt::print() statements have crept in
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2025-01-23 10:26:56 -05:00 |
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790b124f6a
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correct help text
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2025-01-23 08:52:27 -05:00 |
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7c4649adbf
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update TODO list and changelog
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2025-01-17 08:43:46 -05:00 |
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cf7695e99f
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add option to restart the LAMMPS instance to "Run" menu
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2025-01-16 21:43:36 -05:00 |
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82598ab3ca
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display error messages with fixed width font
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2025-01-16 00:39:02 -05:00 |
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7c8c8c9d01
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update patch for WHAM code
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2025-01-13 22:07:44 -05:00 |
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0aadc4cf46
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use mutex to avoid race condition when accessing thermo data during run
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2025-01-12 23:27:17 -05:00 |
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dce1231052
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add a lammps_eval() function to the C library interface and all derived wrappers
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2025-01-12 00:39:18 -05:00 |
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467ceee9cb
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update patch for WHAM
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2025-01-04 18:18:27 -05:00 |
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1fcf1a7c56
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add patch for customization of wham to support LAMMPS units
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2025-01-02 19:39:02 -05:00 |
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d87abc0d01
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correct CMake script code for including WHAM executables in macOS app-bundle
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2025-01-02 17:25:44 -05:00 |
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399d7111d5
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include WHAM software in LAMMPS-GUI compilation
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2025-01-02 00:38:04 -05:00 |
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8b32516b79
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display a valid URL for the download location
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2024-12-29 20:11:59 -05:00 |
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78a897c1bf
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check if a downloaded (solution) file is a symlink placeholder and put a copy of the original in its place
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2024-12-29 17:22:07 -05:00 |
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4d36a84738
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add check whether libcurl support was compiled into LAMMPS and geturl is functional
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2024-12-29 17:22:00 -05:00 |
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0bdaece1f0
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add keyboard shortcut and context menu entry for jump to next warning
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2024-12-29 11:35:44 -05:00 |
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f6c0c73289
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improve layout of warnings panel
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2024-12-29 10:48:54 -05:00 |
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7d67bcad22
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compatibility with Qt 5.12 on Ubuntu 20.04LTS
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2024-12-28 22:09:29 -05:00 |
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d70b923c5a
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update tutorial info texts from paper
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2024-12-28 20:34:45 -05:00 |
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73eeda3b1d
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display panel with number or warnings and lines in output window, button for jumping to next warning
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2024-12-28 18:44:44 -05:00 |
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f50b5d63f3
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combine the first two and the second two wizard pages into one page each
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2024-12-28 12:38:52 -05:00 |
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be9ace068a
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show download progress in status line and progress bar
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2024-12-28 12:38:45 -05:00 |
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e5ee94a13c
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add overloads for automatic string style conversions
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2024-12-28 12:38:39 -05:00 |
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bbef7e3eac
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update TODO
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2024-12-27 23:01:20 -05:00 |
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90d1e4d45f
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add code paths for all 8 tutorial wizards. only descriptive text is missing.
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2024-12-27 15:42:36 -05:00 |
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f71fa8e94e
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logo images for all 8 currently supported tutorials
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2024-12-27 10:20:18 -05:00 |
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48178ccc50
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highlight error and warning messages in output window
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2024-12-26 17:19:12 -05:00 |
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f3cbf55d3c
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update LAMMPS-GUI todo list
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2024-12-26 16:26:51 -05:00 |
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77ab630080
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update LAMMPS-GUI TODO list
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2024-12-24 15:36:40 -05:00 |
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70c5722e9f
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flatpak updates
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2024-12-14 09:44:57 -05:00 |
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1cb12e3753
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update appdata for flatpak builds
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2024-12-14 08:22:09 -05:00 |
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69526c87d8
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Merge pull request #4362 from ndtrung81/regression-test-update
Improve the Kokkos regression test workflow
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2024-11-12 18:06:48 -05:00 |
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acebce0431
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turn off verbose, reduce timeout
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2024-10-29 23:07:35 -05:00 |
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dd0dfd3c7f
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split randomly the pair input list by batch size
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2024-10-27 00:00:10 -05:00 |
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67d1c7d17d
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set OMP_PROC_BIND=false and adjust timeout
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2024-10-26 09:01:39 -05:00 |
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b725c01c0d
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split pair list into 2 separate lists and use 5 jobs for more even time balancing
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2024-10-25 23:22:25 -05:00 |
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6d0e633edf
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Merge pull request #4352 from ndtrung81/regression-test-update
Add a KOKKOS workflow for GitHub actions and minor updates for the regression tester
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2024-10-25 11:06:33 -04:00 |
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d2b1e22b4a
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added counter for timeout tests
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2024-10-22 23:31:22 -05:00 |
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06207fd91e
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modify how execute() returns
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2024-10-22 23:21:37 -05:00 |
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8503cac2ce
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update README to explain how to set nprocs in the config file
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2024-10-14 23:44:02 -05:00 |
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6e32470cfa
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distinguish the error tests vs failed tests
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2024-10-14 23:27:06 -05:00 |
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c533ca0af1
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handle the cases where num steps do not match with the reference log files
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2024-10-14 16:05:21 -05:00 |
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b0f2484441
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fix logic bug with allowing quick_max to run without requiring quick to be True
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2024-10-14 10:45:53 -05:00 |
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3e7642bc8c
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fix artifact names, allow to run quick test with a given input list
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2024-10-14 09:43:08 -05:00 |
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38500c647b
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move cursor to end of log buffer before inserting new text
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2024-10-14 09:41:45 -04:00 |
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383ae086e5
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skip in.icos due to the minimize command
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2024-10-13 22:54:54 -05:00 |
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1e63f031f0
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remove empirical filter to remove outliers from corrupted data
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2024-10-13 22:52:40 -04:00 |
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1c9daad657
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change tutorial download URL to tutorial website
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2024-10-13 21:57:17 -04:00 |
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4773b3e7e4
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fix indentation in the config files
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2024-10-13 15:48:29 -05:00 |
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