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pyscf / gpu4pyscf

A plugin to use Nvidia GPU in PySCF package
GNU General Public License v3.0
138 stars 24 forks source link

Custom einsum #24

Closed sunqm closed 1 year ago

sunqm commented 1 year ago

It would be good to have a custom einsum function in the code. Then one can invoke different versions of einsum on GPU by patching this function.

wxj6000 commented 1 year ago

support by https://github.com/pyscf/gpu4pyscf/pull/44