SEAMM: Simulation Environment for Atomistic and Molecular Modeling

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Published October 17, 2026 | Version 2026.10.17.1

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A plug-in can list the parameters it has dropped (retired in its Parameters class). An older flowchart that stores them can still be read and checked, and they are ignored; any other unknown parameter is still an error. The MD analysis steps use this for the parameters of the MD they no longer run themselves.

Notes

Funding: NSF OAC-1547580 and CHE-2136142

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Is supplement to: Software: https://github.com/molssi-seamm/seamm/tree/2026.10.17.1 (URL)

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Zenodo

License: GNU Lesser General Public License v3.0 or later

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