

BrianQC 1.2 PSI4 1.4 GPU
Linux/Unix
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
Version
1.2.1
By
BrianQCCategories
Operating System
Linux/Unix, Ubuntu Ubuntu Linux 20.04 LTS
Delivery Methods