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pyscf / gpu4pyscf

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

Hess nuc elec #106

Closed wxj6000 closed 6 months ago

wxj6000 commented 6 months ago
sunqm commented 6 months ago

Is this PR duplicated to #110 ?

wxj6000 commented 6 months ago

No. It is not duplicated. #110 is an additional work. We shall merge this one first.