crest-lab / crest

CREST - A program for the automated exploration of low-energy molecular chemical space.
https://crest-lab.github.io/crest-docs/
GNU Lesser General Public License v3.0
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CREST 3.0 pre-release #250

Closed pprcht closed 5 months ago

pprcht commented 5 months ago

Finally, an update of the main branch.

NOTE this is a pre-release of version 3.0, we are preparing an update to the documentation and a finalization of this release during the review process of the associated publication

The program can be switched back to its previous behavior via --legacy