Published October 25, 2021
| Version 2021.10.25
Software
Open
SEAMM: Simulation Environment for Atomistic and Molecular Modeling
Authors/Creators
- 1. Molecular Sciences Software Institute
Description
Added support to the configuration for charge, spin multiplicity and active space.
Also a dded a --database flag to give which database to use, which defaults to ./seamm.db, a --read-only flag when running from the command-line.
Notes
Funding: NSF OAC-1547580 and CHE-2136142
Files
molssi-seamm/seamm-2021.10.25.zip
Files
(274.0 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/molssi-seamm/seamm/tree/2021.10.25 (URL)