lammps-gui.desktop CC-BY-3.0 GPL-2.0 LAMMPS-GUI

Graphical interface to edit, run, plot, and visualize simulations with the LAMMPS MD code

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.

https://docs.lammps.org/_images/lammps-gui-main.png LAMMPS-GUI main editor window https://docs.lammps.org/_images/lammps-gui-log.png LAMMPS-GUI output window https://docs.lammps.org/_images/lammps-gui-chart.png LAMMPS-GUI chart window https://docs.lammps.org/_images/lammps-gui-slideshow.png LAMMPS-GUI slideshow window https://docs.lammps.org/_images/lammps-gui-image.png LAMMPS-GUI snapshot image window https://www.lammps.org/ https://github.com/lammps/lammps/issues https://docs.lammps.org/stable/ packages@lammps.org Axel Kohlmeyer LAMMPS Molecular Dynamics Physics Editor N-body Simulation lammps-gui lmp Change working directory to user's home dir if initial directory is "/" or the Application folder Add preferences option to set https proxy, if not already set via environment variable Add option to visualize molecules defined through the molecule command Add text fields for editing plot title and axis labels for charts Add option to automatically open tutorial websites (enabled by default) Update Tutorial menu entries to cover all 8 tutorials Highlight warnings and error messages in Output window Make Tutorial wizards more compact Include download and compilation of WHAM software from Alan Grossfield Add entry to Run menu to restart the LAMMPS instance Use mutex to avoid corruption of thermo data Move cursor to end of log buffer before inserting new text Remove empirical filter to remove outliers from corrupted data Change tutorial download URL to tutorial website Resolve plugin mode issues. Add -p command line flag to override path to liblammps.so Added search and replace functionality Converged command line argument parsing using Qt facilities Added dark mode adjustments to syntax highlighting Add field to enter Atom size, if not determined otherwise Support plotting raw and smoothed data Add wizards for setting up LAMMPS tutorials and restart file inspector First version packaged in flatpak format