ELSI

Description

ELSI provides and enhances scalable, open-source software library solutions for electronic structure calculations in materials science, condensed matter physics, chemistry, and many other fields. ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory. The ELSI infrastructure should also be useful for other challenging eigenvalue problems.

More information

• Homepage: https://wordpress.elsi-interchange.org/

Availability

Module	NIC5	Hercules2	Dragon2	Lemaitre3	Dragon1
ELSI/2.5.0-intel-2019b-PEXSI				✓