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USTC-KnowledgeComputingLab
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qmb-models

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qmb-models / ya_N2_cc_pvdz_PES_14_56

Commit History

Update the format of FCIDUMP ref energy to yaml.

479173e
verified

hzhangxyz commited on Apr 9

Add N2 PES data.

7538a3b
verified

hzhangxyz commited on Mar 13