/parserQE

Small parser to QuantumEspresso outputs

Primary LanguageJupyter NotebookOtherNOASSERTION

My parserQE

A simple project providing a useful base structure for python packages.

Installation

To install this project's package run:

pip install /path/parserQE

Acknowledgements

This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. Argonne National Laboratory’s work was supported by the U.S. Department of Energy, Office of Science, under contract DE-AC02-06CH11357.

All rights reserved. Copyright Argonne National Laboratory UChicago LLC. Raymundo Hernandez-Esparza