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e502d40491
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-17 17:40:29 -04:00 |
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368e0a22a0
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adding WHAM dialog is postponed
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2025-03-16 19:21:08 -04:00 |
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d65b0ce666
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update to WHAM version 2.1.0
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2025-03-16 17:28:57 -04:00 |
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2c3824bdd0
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update remaining places that used to support -DLAMMPS_SMALLSMALL
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2025-03-15 02:11:50 -04:00 |
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a892495575
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revert unintended commit
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2025-03-13 02:59:43 -04:00 |
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42219ac784
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modernize LaTeX for formatting text in math mode
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2025-03-12 17:08:56 -04:00 |
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abc14c00a0
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use different method to enforce the C locale in LAMMPS GUI
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2025-03-05 17:40:36 -05:00 |
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d22533350a
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update copyright year
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2025-02-06 20:55:23 -05:00 |
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c9f41f9d90
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explain more steps of the release process related to building packages
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2025-02-06 20:55:11 -05:00 |
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b98797ec2c
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Merge remote-tracking branch 'github/develop' into small_fixes
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2025-01-30 16:19:38 -05:00 |
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48893236ec
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Merge pull request #4380 from rbberger/python_computes
Python and library API changes for computes
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2025-01-30 14:21:25 -05:00 |
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6c8d531f78
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remove unused variables and related dead code
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2025-01-29 05:51:24 -05:00 |
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23045d62c5
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add plugin wrapper and swig interface to new LAMMPS library functions
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2025-01-27 14:29:15 -05:00 |
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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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