CENSO

Commandline Energetic SOrting (CENSO) is a sorting algorithm for efficient evaluation of Structure Ensembles (SE). The input ensemble (or single structure) originating from a CREST[SQM/FF] run can be ranked by free energy at DFT level and/or geometries can be optimized using DFT.

homepage: https://xtb-docs.readthedocs.io/en/latest/CENSO_docs/censo.html

version	toolchain
1.2.0	GCCcore/12.3.0
1.2.0	intel/2022a

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