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pyscf / gpu4pyscf

A plugin to use Nvidia GPU in PySCF package
GNU General Public License v3.0
117 stars 21 forks source link

Cleanup opt_driver and dft_driver #197

Closed wxj6000 closed 2 weeks ago

wxj6000 commented 3 weeks ago

Address comments in https://github.com/pyscf/gpu4pyscf/pull/196