atoMEC: Average-atom code for Matter under Extreme Conditions
atoMEC: Average-atom code for Matter under Extreme Conditions
Callow, T. J.; Kotik, D.; Tsvetoslavova Stankulova, E.; Kraisler, E.; Cangi, A.
atoMEC is a python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter. It is designed as an open-source and modular python package. atoMEC uses Kohn-Sham density functional theory, in combination with an average-atom approximation, to solve the electronic structure problem for single-element materials at finite temperature.
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Software in external data repository
Publication year 2021
Programming language: Python
System requirements: n/a
License: BSD 3-Clause
Hosted on GitHub: Link to location
DOI: 10.5281/zenodo.5772266
Permalink: https://www.hzdr.de/publications/Publ-33605
Publ.-Id: 33605