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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

Add chkfile support for pysisyphus #203

Closed henryw7 closed 1 week ago

henryw7 commented 2 weeks ago

Connect the chkfile related functions from pyscf into gpu4pyscf.