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Published October 23, 2026 | Version 2026.10.22.2
Software Open

SEAMM: Simulation Environment for Atomistic and Molecular Modeling

Authors/Creators

  • 1. Molecular Sciences Software Institute

Description

  • Setting a parameter that has units to a variable and its units, e.g. '$t ps', with the flowchart tools (seamm-flowchart, the MCP server or the builder) stored '$t ps' as the value, which the job could not evaluate when it reached the step. The variable and its units are now set separately, as '[$t, ps]' already did.
  • Variables, like '=' expressions, are now checked as Python when they are set, and validating a flowchart checks the variables and expressions it holds.

Notes

Funding: NSF OAC-1547580 and CHE-2136142

Files

molssi-seamm/seamm-2026.10.22.2.zip

Files (757.8 kB)

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md5:ca89c79f47b0c47d27a5e134a5828bda
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Additional details

Related works

Is supplement to
Software: https://github.com/molssi-seamm/seamm/tree/2026.10.22.2 (URL)

Software

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