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pyscf
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gpu4pyscf
A plugin to use Nvidia GPU in PySCF package
GNU General Public License v3.0
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bug w/o cutensor, CCSD unit test
#98
Closed
wxj6000
closed
6 months ago
wxj6000
commented
6 months ago
Add an example for CCSD
unit test pass for pyscf 2.4
reduced memory footprint in CCSD