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550048f458
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-12 21:21:38 -04:00 |
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f9de296ed1
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make "coords" optional and infer natoms from "types" instead
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2025-06-12 21:19:32 -04:00 |
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4097733b52
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small tweaks
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2025-06-12 11:19:42 -04:00 |
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dd30b5a258
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add tool to regularize/reformat/reindent JSON files
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2025-06-12 11:19:16 -04:00 |
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766ef241d9
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update date
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2025-06-12 07:48:31 -04:00 |
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b0694e4e73
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add support for dipoles section
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2025-06-11 18:09:40 -04:00 |
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3d7f7af8c7
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parse charges, diameters, and masses
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2025-06-11 17:54:41 -04:00 |
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e7cf0701a8
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add support for molecule and fragments sections
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2025-06-11 16:45:40 -04:00 |
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df08818fef
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refactor handling of plugin loading to make plugin a global property
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2025-06-11 02:52:28 -04:00 |
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acf8a51b01
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-04 19:42:03 -04:00 |
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ddb6bb2cfb
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adjust to include new build of gcc/musl cross-compiler
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2025-06-04 09:57:14 -04:00 |
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04c642905f
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make "format" and "data" required object sections
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2025-05-31 22:28:54 -04:00 |
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f5cc752648
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update magic file and point to origin
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2025-05-28 23:18:16 -04:00 |
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1d8d8b6445
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add title and version info to JSON schema file
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2025-05-23 23:31:14 -04:00 |
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018342afc8
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update schema with stricter checks. no need to bond-ids, angle-ids etc.
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2025-05-23 23:00:50 -04:00 |
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0975207ba4
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Add more fields to molecule schema
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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2025-05-23 22:01:31 -04:00 |
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534373bef3
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flag required properties
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2025-05-23 22:00:05 -04:00 |
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f979d503d9
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fix minor issues
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2025-05-23 21:59:33 -04:00 |
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30b555d7dc
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add units keyword
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2025-05-22 23:23:22 -04:00 |
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0df77ef7ca
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start a tools/json folder with molecule schema and README
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2025-05-22 21:42:33 -04:00 |
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6800e8bb39
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step LAMMPS-GUI version number
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2025-05-21 08:01:28 -04:00 |
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f9ba063c4a
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add citation reminder
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2025-04-30 12:17:31 -04:00 |
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2fc7d287d4
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Merge branch 'develop' into collected-small-fixes
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2025-04-28 22:27:32 -04:00 |
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c886fff624
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Merge branch 'develop' into gcmc-eatom
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2025-04-28 17:55:48 -06:00 |
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e5854ced41
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backward compatibility not needed here
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2025-04-28 18:56:32 -04:00 |
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0768aac1fd
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update Qt platform version for flatpak build to latest 5.15 branch
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2025-04-28 18:45:57 -04:00 |
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75d3d79fca
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open available error URLs with double click or from context menu
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2025-04-28 18:25:40 -04:00 |
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db3d93210d
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highlight error URLs in logwindow
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2025-04-28 10:56:37 -04:00 |
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31b18ad24e
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update help index table
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2025-04-27 10:03:35 -04:00 |
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092df8ed8f
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add copyright header
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2025-04-26 00:56:47 -04:00 |
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4897fbb210
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Merge branch 'develop' into collected-small-fixes
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2025-04-26 00:50:58 -04:00 |
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40d8e1b95f
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Merge pull request #4535 from Bibobu/plot_forces_tool
Adding python tool to plot tabulated forces
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2025-04-26 00:50:32 -04:00 |
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d406289a7a
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propagate changes from library.cpp/library.h to swig and plugin interface
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2025-04-25 17:04:32 -04:00 |
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d5c4f9c158
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Fixed whitespace
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2025-04-20 11:01:38 -06:00 |
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0bab80a26e
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not much use for editing x axis label. better give more space to other options
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2025-04-13 19:33:07 -04:00 |
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f181ca6aec
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support setting graph colors in preferences
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2025-04-13 16:56:21 -04:00 |
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bb09088731
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add new tab to preferences for charts window settings
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2025-04-12 11:49:41 -04:00 |
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1ad2df84d8
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add checkbox to automatically open tutorial website, if available
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2025-04-12 06:49:44 -04:00 |
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d0c3564216
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update TODO list
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2025-04-12 00:53:45 -04:00 |
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ed1f4cc381
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add functionality to edit the plot title and x- and y-axis labels
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2025-04-11 23:25:56 -04:00 |
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90797c7b62
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document that also molecules from the molecule command can be visualized
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2025-04-10 11:51:13 -04:00 |
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dfc10e5b59
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small improvements of molecule visualization.
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2025-04-10 08:56:57 -04:00 |
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bc031bdd7a
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initial attempt to allow viewing molecules.
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2025-04-10 08:23:04 -04:00 |
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32592e6660
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add feature idea for LAMMPS-GUI
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2025-04-10 01:13:44 -04:00 |
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7034e930fd
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update date
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2025-04-06 15:03:39 -04:00 |
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cf3ffb9dfc
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simplify fingerprint to match more suppression cases
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2025-04-06 10:25:31 -04:00 |
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6ab7d7d818
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Made plot_forces executable
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2025-04-06 10:37:54 +02:00 |
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94e6022210
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Changed --recompute option of plot_forces to -d for consistency
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2025-04-06 10:34:28 +02:00 |
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b357540e92
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Added plot_forces description to README.md
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2025-04-06 10:33:30 +02:00 |
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f8757abe92
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Moved plot_forces to the tools/tabulate/ folder
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2025-04-06 10:31:29 +02:00 |
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