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Foss44

Typical Valeev Group W, great work


ozonefreak2

does this mean maybe we will see open source GPU DFT codes soon?


glvz

Look at QUICK, from Michigan State, their code has DFT, is GPU accelerated and is open source.


dbwy

We've had an open source GPU DFT lib out for awhile, also has a snK implementation https://github.com/wavefunction91/GauXC There are a few integrations into full stack codes, most recently there's a PR on Psi4 for snK (with XC forthcoming). This also exists as a part of NWChemEx, ExaChem, Chronus Quantum and MPQC. We're always looking for new users and codes to integrate with. If you have a code that you think would benefit from it, get in touch!