Welcome to PyCSP’s documentation!

PyCSP (Python-based Crystal Structure Prediction) is a robust, open-source Python library for Crystal Structure Prediction. PyCSP is dedicated to quick and easy operations, so that people can get the results they want without taking too much time.

Check out the ./usage/index section for further information, including how to Installation the project. Of course, you can also click here for a pdf instruction.

Note

The PySCP is under active development.

Authors:

C.L. Qin

Version:

v0.0

Contents:

• 1. An introduction to PyCSP
• 2. Installation
• 3. Tutorials
• 4. Input and output files
• 5. Input parameters
• 6. Citations