118 lines
4.8 KiB
XML
118 lines
4.8 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<component type="desktop">
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<id>lammps-gui.desktop</id>
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<metadata_license>CC-BY-3.0</metadata_license>
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<project_license>GPL-2.0</project_license>
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<name>LAMMPS-GUI</name>
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<summary>
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Graphical interface to edit, run, plot, and visualize simulations with the LAMMPS MD code
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</summary>
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<description>
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<p>LAMMPS-GUI is an editor customized for editing input files for the LAMMPS MD simulation software. It also includes LAMMPS and thus can run it directly from the GUI. Furthermore it has facilities to create or view and animate snapshot images, monitor and plot thermodynamic properties and show the console output of the running simulation.</p>
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</description>
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<screenshots>
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<screenshot type="default">
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<image>https://docs.lammps.org/_images/lammps-gui-main.png</image>
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<caption>LAMMPS-GUI main editor window</caption>
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</screenshot>
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<screenshot>
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<image>https://docs.lammps.org/_images/lammps-gui-log.png</image>
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<caption>LAMMPS-GUI output window</caption>
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</screenshot>
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<screenshot>
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<image>https://docs.lammps.org/_images/lammps-gui-chart.png</image>
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<caption>LAMMPS-GUI chart window</caption>
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</screenshot>
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<screenshot>
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<image>https://docs.lammps.org/_images/lammps-gui-slideshow.png</image>
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<caption>LAMMPS-GUI slideshow window</caption>
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</screenshot>
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<screenshot>
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<image>https://docs.lammps.org/_images/lammps-gui-image.png</image>
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<caption>LAMMPS-GUI snapshot image window</caption>
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</screenshot>
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</screenshots>
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<url type="homepage">https://www.lammps.org/</url>
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<url type="bugtracker">https://github.com/lammps/lammps/issues</url>
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<url type="help">https://docs.lammps.org/stable/</url>
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<update_contact>packages@lammps.org</update_contact>
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<developer_name>Axel Kohlmeyer</developer_name>
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<project_group>LAMMPS</project_group>
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<keywords>
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<keyword>Molecular Dynamics</keyword>
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<keyword>Physics</keyword>
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<keyword>Editor</keyword>
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<keyword>N-body</keyword>
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<keyword>Simulation</keyword>
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</keywords>
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<provides>
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<binary>lammps-gui</binary>
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<binary>lmp</binary>
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</provides>
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<releases>
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<release version="1.6.13" timestamp="1743734509">
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<description>
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Change working directory to user's home dir if initial directory is "/" or the Application folder
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Add preferences option to set https proxy, if not already set via environment variable
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Add option to visualize molecules defined through the molecule command
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Add text fields for editing plot title and axis labels for charts
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Add option to automatically open tutorial websites (enabled by default)
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Add preferences tab for charts to set default for title, plot colors, smooth/raw plot, smooth params
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Highlight error URLs with pointers to additional explanations in log window
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Double-click on highlighted URL opens it in web browser. Also available via context menu.
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</description>
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</release>
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<release version="1.6.12" timestamp="1734890080">
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<description>
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Update Tutorial menu entries to cover all 8 tutorials
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Highlight warnings and error messages in Output window
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Make Tutorial wizards more compact
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Include download and compilation of WHAM software from Alan Grossfield
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Add entry to Run menu to restart the LAMMPS instance
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Use mutex to avoid corruption of thermo data
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</description>
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</release>
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<release version="1.6.11" timestamp="1725080055">
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<description>
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Move cursor to end of log buffer before inserting new text
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Remove empirical filter to remove outliers from corrupted data
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Change tutorial download URL to tutorial website
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</description>
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</release>
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<release version="1.6.10" timestamp="1724585189">
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<description>
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Resolve plugin mode issues.
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Add -p command line flag to override path to liblammps.so
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</description>
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</release>
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<release version="1.6.9" timestamp="1724308872">
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<description>
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Added search and replace functionality
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Converged command line argument parsing using Qt facilities
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Added dark mode adjustments to syntax highlighting
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Add field to enter Atom size, if not determined otherwise
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</description>
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</release>
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<release version="1.6.8" timestamp="1723581926">
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<description>
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Support plotting raw and smoothed data
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</description>
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</release>
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<release version="1.6.7" timestamp="1723394796">
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<description>
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Add wizards for setting up LAMMPS tutorials and restart file inspector
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</description>
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</release>
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<release version="1.6.6" timestamp="1722581799">
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<description>
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First version packaged in flatpak format
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</description>
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</release>
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</releases>
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</component>
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