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Electron repulsion integral evaluation over f-type functions on GPUs via OpenMP offloading

Daniel Del Angel Cruz1, Jorge L Galvez Vallejo2, Mark S Gordon1

  • 1Department of Chemistry and Ames National Laboratory, USDOE, Iowa State University, Ames, Iowa 50011, USA.

The Journal of Chemical Physics
|June 5, 2026
PubMed
Abstract

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