software . 2020

deepqmc/deepqmc: DeepQMC 0.2.0

Jan Hermann; Zeno Schätzle; Frank Noé;
Open Source
  • Published: 01 Jan 2020
  • Publisher: Zenodo
Abstract
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
Subjects
free text keywords: quantum monte carlo, deep learning
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Zenodo
Software . 2020
Provider: Datacite
Open Access
Zenodo
Software . 2021
Provider: Datacite
Open Access
Zenodo
Software . 2021
Provider: Datacite
Open Access
Zenodo
Software . 2020
Provider: Datacite
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