Datasets:

USTC-KnowledgeComputingLab
/

qmb-models

Size:

License:

Dataset card Files Files and versions

qmb-models / sa_N2_cc_pvdz_PES_14_56

30.8 MB

1 contributor

History: 2 commits

hzhangxyz's picture

Update the format of FCIDUMP ref energy to yaml.

479173e verified about 1 year ago