1. How to Install Frog?ΒΆ

You can get the code, this wiki, tutorial and some tests from our Githib page.

  • 1.1. Installation
    • 1.1.1. Get the code
    • 1.1.2. Installation using pip
    • 1.1.3. Local python environment
    • 1.1.4. Check the installation
    • 1.1.5. Regular tests
    • 1.1.6. Troubleshouting
  • 1.2. Numerical notes and requirements
    • 1.2.1. OS compatibility
    • 1.2.2. Python packages
    • 1.2.3. Compatible MD software
    • 1.2.4. Compatible QM software
    • 1.2.5. Parallelisation of FROG execution
    • 1.2.6. RAM, Disk space and writing-reading procedure

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  • 1. How to Install Frog?
    • 1.1. Installation
    • 1.2. Numerical notes and requirements
  • 2. Tutorials
  • 3. Global Parameter
  • 4. Molecule Type
  • 5. Diagram
  • 6. Optical Analysis
  • 7. Frog package

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