Dftdx - Githubissues

pyscf / gpu4pyscf

A plugin to use Nvidia GPU in PySCF package

GNU General Public License v3.0

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Dftdx #83

Closed wxj6000 closed 8 months ago

wxj6000 commented 8 months ago

native support dftd3 and dftd4 without openmp.
fixed a bug in takebak kernel.