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Published October 30, 2023 | Version 2023.10.30
Software Open

SEAMM: Simulation Environment for Atomistic and Molecular Modeling

Authors/Creators

  • 1. Molecular Sciences Software Institute

Description

  • Added ability to name systems and configurations with the IUPAC name, InChI, or InChIKey of the configuration.
  • Generally cleaned up and streamlined the code handling new systems and configurations.

Other

Funding: NSF OAC-1547580 and CHE-2136142

Files

molssi-seamm/seamm-2023.10.30.zip

Files (552.5 kB)

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Additional details

Related works

Is supplement to
Software: https://github.com/molssi-seamm/seamm/tree/2023.10.30 (URL)