LAMMPS-GUI Documentation

About LAMMPS-GUI

LAMMPS-GUI is a graphical text editor with syntax highlighting, auto-completion, inline help, and indentation support for LAMMPS input files. It is programmed using the Qt Framework and customized for running, monitoring, and visualizing LAMMPS simulations. It calls LAMMPS directly using the LAMMPS library interface and does not have to run an external LAMMPS executable. Therefore it can retrieve and display information from LAMMPS while it is running, display visualizations created with the dump image command.

The primary goal is to facilitate teaching LAMMPS to beginners using just LAMMPS-GUI and have a consistent behavior across major platforms like Linux, macOS, and Windows. This way one can focus on teaching LAMMPS. As a demonstration LAMMPS-GUI is fully integrated with a collection of LAMMPS tutorials. LAMMPS-GUI also offers useful features beyond tutorials and for intermediate and advanced LAMMPS users.

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The text in the website provides documentation of the features and functionality of LAMMPS-GUI and how to compile and install it. Suggestions for new features and reports of bugs are always welcome. You can use the the same channels as for LAMMPS itself for that purpose or submit bug reports or pull requests in the LAMMPS-GUI GitHub repository

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This document describes LAMMPS-GUI version 1.8.2.

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Test Status of the development branch:

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Table of Contents

• 1. Installation
  • 1.1. Prerequisites and portability
  • 1.2. Pre-compiled executables
  • 1.3. Compilation from source
  • 1.4. Compilation platform notes
• 2. Overview
• 3. Basic usage of LAMMPS-GUI
  • 3.1. Opening and saving files
  • 3.2. Running LAMMPS
• 4. Monitoring LAMMPS output
  • 4.1. Output Window
  • 4.2. Charts Window
  • 4.3. Variable Info
• 5. Visualization
  • 5.1. Snapshot Image Viewer
  • 5.2. Image Slide Show
• 6. Editor Window
  • 6.1. Context Specific Word Completion
  • 6.2. Line Reformatting
  • 6.3. Context Specific Help
  • 6.4. Inspecting a Restart file
• 7. Menus
  • 7.1. File
  • 7.2. Edit
  • 7.3. Run
  • 7.4. View
  • 7.5. Tutorials
  • 7.6. About
• 8. Dialogs
  • 8.1. Find and Replace
  • 8.2. Preferences
  • 8.3. Charts Settings:
• 9. Keyboard Shortcuts

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Web Browser Compatibility

This website makes use of advanced features present in “modern” web browsers. This leads to incompatibilities with older web browsers and specific vendor browsers (e.g. Internet Explorer on Windows) where parts of the pages are not rendered as expected (e.g. the layout is broken or mathematical expressions not typeset).

The following web browser versions have been verified to work as expected on Linux, macOS, and Windows where available:

• Safari version 11.1 and later

• Firefox version 54 and later

• Chrome version 54 and later

• Opera version 41 and later

• Edge version 80 and later

Also Android version 7.1 and later and iOS version 11 and later have been verified to render this website as expected.