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Published February 8, 2022 | Version 2022.2.1
Software Open

SEAMM: Simulation Environment for Atomistic and Molecular Modeling

  • 1. Molecular Sciences Software Institute

Description

Added the ability to add parameters -- those defined in control parameters steps -- when submitting a job to a Dashboard. If the parameters are files, those are also transferred to the Dashboard and used when the job runs.

Note that these parameters have been usable as command-line parameters when running a flowchart manually. This allows the same functionality when submitting fro the GUI to a Dashboard.

Notes

Funding: NSF OAC-1547580 and CHE-2136142

Files

molssi-seamm/seamm-2022.2.1.zip

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