Other

This section contains an overview of utility applications.

Table of contents

• Topology Check - Checking the molecular topology with CREST.
• thermo Calculations - How to evaluate thermodynamical partition functions with the thermo submodule.
• Calculate S_msRRHO - How to calculating an averaged S_msRRHO for CREST's entropy mode.
• Publication Examples - Examples from the original PCCP publication of CREST.