Ecosyste.ms: Packages
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spack.io : exasp2
ExaSP2 is a reference implementation of typical linear algebra algorithms and workloads for a quantum molecular dynamics (QMD) electronic structure code. The algorithm is based on a recursive second- order Fermi-Operator expansion method (SP2) and is tailored for density functional based tight-binding calculations of material systems. The SP2 algorithm variants are part of the Los Alamos Transferable Tight-binding for Energetics (LATTE) code, based on a matrix expansion of the Fermi operator in a recursive series of generalized matrix-matrix multiplications. It is created and maintained by Co-Design Center for Particle Applications (CoPA). The code is intended to serve as a vehicle for co-design by allowing others to extend and/or reimplement as needed to test performance of new architectures, programming models, etc.
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purl: pkg:spack/exasp2
License: Other
Latest release: about 2 years ago
First release: about 2 years ago
Stars: 3 on GitHub
Forks: 3 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 14 days ago