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deepqmc/deepqmc: DeepQMC 0.2.0

Jan Hermann; Zeno Schätzle; Frank Noé

Added

  • Command-line interface

Changed

  • PauliNet:
    • Nuclear and electronic cusp corrections on by default
    • omni_kwargs accepted by PauliNet() instead of from_hf()
    • All keyword arguments to from_hf() are passed to PauliNet()
  • Sampler:
    • from_mf() changed to from_wf(), doesn't use PySCF object by default

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deepqmc/deepqmc-0.2.0.zip
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