CDFTPY: A python package for performing classical density functional theory calculations for molecular liquids

Classical density functional theory (CDFT) provides a rigorous theoretical framework for the statistical mechanics based analysis of many-body systems. This approach has proven to be successful in simulations of mono-atomic, i.e. simple liquids, and there is an ongoing theoretical effort in extending it to more complex polyatomic, molecular liquid systems. Sharing these developments in the form of open-source and easily accessible codes could greatly benefit these efforts. In this work, we present python-based CDFT code that contains both conventional Reference Interaction Site Model (RISM) and recently developed renormalized site density theory (RSDFT) approach. The current implementation is focused on ion solvation - the problem of both fundamental and practical importance. It allows the calculation of individual ions as well as comparative analysis across a range of interaction parameters.