There is a newer version of the record available.

Published December 12, 2021 | Version 0.3.1
Software Open

deepqmc/deepqmc: DeepQMC 0.3.1

Creators

  • 1. FU Berlin
  • 2. Fritz-Haber Institute of the Max Planck Society
  • 3. Microsoft

Description

Fixed
  • Version incompatibility of PySCF and H5PY
  • Minor issues with walker initialization in some systems
  • Minor numerical instability causing rare NaNs

Files

deepqmc/deepqmc-0.3.1.zip

Files (88.4 kB)

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md5:f2c7e6c81e41b78b03e4d9baa12c3d8d
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Additional details

Related works

Is supplement to
https://github.com/deepqmc/deepqmc/tree/0.3.1 (URL)