Published July 31, 2026 | Version 2026.7.28.1
Software Open

SEAMM: Simulation Environment for Atomistic and Molecular Modeling

Authors/Creators

  • 1. Molecular Sciences Software Institute

Description

  • Node.model now collapses any extra / in a model-chemistry string onto -, keeping only the last / as the method/basis separator. This fixes model names such as ORCA's REVDSD-PBEP86-D4/2021 functional combined with a basis set, which previously produced an ambiguous name like REVDSD-PBEP86-D4/2021/def2-QZVPP.
  • {model} can now be used in the variable, table, and column names of a step's results, substituted with the current model chemistry. This was already supported for the database property name; it is now consistent across all the places a result can be saved.

Notes

Funding: NSF OAC-1547580 and CHE-2136142

Files

molssi-seamm/seamm-2026.7.28.1.zip

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Additional details

Related works

Is supplement to
Software: https://github.com/molssi-seamm/seamm/tree/2026.7.28.1 (URL)

Software

Repository URL
https://github.com/molssi-seamm/seamm