The High-Throughput Toolkit (httk) is a toolkit for: - Preparing and running calculations. - Analyzing the results. - Store the results and outcome in a global and/or in a personalized database. httk is an independent implementation of the database-centric high-throughput methodology pioneered by Ceder et al., and others. [see, e.g., Comp. Mat. Sci. 50, 2295 (2011)]. httk is presently targeted at atomistic calculations in materials science and electronic structure, but aims to be extended into a library useful also outside those areas.
1 day, 13 hours ago passed
.. image:: https://readthedocs.org/projects/httk/badge/?version=latest :target: https://docs.httk.org/en/latest/?badge=latest :alt: Documentation Status
<a href='https://docs.httk.org/en/latest/?badge=latest'> <img src='https://readthedocs.org/projects/httk/badge/?version=latest' alt='Documentation Status' /> </a>