CoSP2 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 non-metallic material systems. This SP2 algorithm is 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 The Exascale Co-Design Center for Materials in Extreme Environments (ExMatEx).
Commercial Use
Modify
Distribute
Place Warranty
Hold Liable
Use Trademarks
Include Copyright
Include License
These details are provided for information only. No information here is legal advice and should not be used as such.
30 Day SummaryJul 25 2025 — Aug 24 2025
|
12 Month SummaryAug 24 2024 — Aug 24 2025
|