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Classical density functional theory code

Project description

CDFTPY: Python package for performing classical denisty functional theory calculations for molecular liquids

Marat Valiev and Gennady Chuev


References:

Gennady N Chuev, Marina V Fedotova and Marat Valiev, Renormalized site density functional theory, J. Stat. Mech. (2021) 033205

Chuev GN, Fedotova MV, Valiev M. Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids. J Chem Phys. 2020 Jan 31;152(4):041101. doi: 10.1063/1.5139619. PMID: 32007044.

Marat Valiev and Gennady N Chuev, Site density models of inhomogeneous classical molecular liquids, J. Stat. Mech. (2018) 093201

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