rmrresearch / GhostFragment

Library focused on fragment-based methods and basis-set superposition corrections
https://rmrresearch.github.io/GhostFragment/
Apache License 2.0
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high-performance-computing quantum-chemistry

GhostFragment

GhostFragment is a computational chemistry library focused on reusable, modular implementations of fragment-based methods and basis-set superposition corrections.

Primary features include:

Funding

TODO: Thank LDRD and CTC projects.