quantum-esperanto

A fast parser of XML files output by VASP DFT code written in Cython.


Keywords
ab-initio, dft, material-design, materials, materials-informatics, materials-science, vasp, xml-files
License
MIT
Install
pip install quantum-esperanto==0.3

Documentation

DFTXMLParser

DFTXMLParser is a fast parser of XML files output by DFT codes (vasp as of now) written in Cython. It takes advantage of xml.etree.cElementTree, a C implementation of ElementTree present in Python standard library. XML files are parsed in a Python dictionary in a transparent way.