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BrianQC 1.2 PSI4 1.4 GPU

By: Streamnovation Ltd Latest Version: 1.2.1

Product Overview

Quantum chemistry software PSI4 accelerated by BrianQC GPU support
This container is meant for expert PSI4 users.
Two-electron integrals in HF and DFT are GPU accelerated, but using the GPU only makes sense for bigger molecules above Nbasis = 1000



Operating System

Linux/Unix, Ubuntu Ubuntu Linux 20.04 LTS

Delivery Methods

  • Amazon Machine Image

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