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Published November 10, 2023 | Version 2023.11.10
Software Open

molssi-seamm/dftbplus_step: Standard structure handling and cleaned up output

Authors/Creators

  • 1. @MolSSI

Description

  • Switched to standard structure handling and naming, giving consistent options across SEAMM.
  • Corrected issues with the model name in the properties.
  • Generally cleaned up the output, mainly indentation.

Files

molssi-seamm/dftbplus_step-2023.11.10.zip

Files (4.3 MB)

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md5:b5460c2b717a4db284c91dcfaf2024f2
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Additional details

Related works

Is supplement to
Software: https://github.com/molssi-seamm/dftbplus_step/tree/2023.11.10 (URL)