Graphical Interface for Materials Simulations

GIMS (Graphical Interface for Materials Simulations) is a browser-based toolbox for electronic structure codes and supports the generation of input files for first-principles electronic structure calculations and workflows, as well as the analysis and visualization of the resulting data extracted from the output files.

• About
  • Feature List
• Where to find GIMS
  • Running Versions
  • GitLab
• GIMS User Manual
  • Prerequisites
  • Main Page
  • Structure Builder
    • Import structure files
    • 3D Structure Viewer
      • Structure Analysis
      • Changing Species Colors
      • Structure Manipulation
    • 3D Brillouin Zone Viewer
    • Export Structure Files
    • Reset Structure
  • Control Generator
    • Downloading control files
  • Output Analyzer
    • Import Files
    • System Information
    • Results
    • Calculation Summary
    • DOS and Band Structure Graphs, Brillouin Zone Viewer
    • Input files
    • Parsing Errors
  • Simple Calculation
  • Band Structure
  • GW Calculation
  • MD Calculation
• Developer Manual
  • Installation
    • Obtaining the Code
    • Prerequisites
    • Building the Client
    • Install the GIMS python application
      • Setup a virtual environment
      • Install GIMS app
      • Start the flask server
  • Code Structure
  • How to contribute
    • General git workflow
    • Adding support for a new Code
      • Client Side
      • Server Side
    • Contact
  • Deploy the app on a server
• Release Notes
  • Current Release
  • Full changelog
    • Release 1.2.0
    • Release 1.1.0
    • Release 1.0.2
    • Release 1.0.0
    • Seventh release (r7)
    • Sixth release (r6)
    • Fifth release (r5)
    • Fourth release (r4)
    • Third release (r3)
    • Second release - second part (r2b)
    • Second release - first part (r2a)
    • First release (r1)