analphipy: A python package to analyze pair-potential metrics.

Published by National Institute of Standards and Technology | National Institute of Standards and Technology | Metadata Last Checked: June 27, 2025 | Last Modified: 2022-09-26 00:00:00

`analphipy` is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation. Several routines to calculate metrics are included in the package. The main features of `analphipy` are 1) Pre-defined spherically symmetric potentials. 2) Simple interface to extended to user defined pair potentials. 3) Routines to calculate Noro-Frenkel effective parameters. 4) Routines to calculate Jensen-Shannon divergence.

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Python Statistical Mechanics

Complete Metadata

bureauCode	[ "006:55" ]
identifier	ark:/88434/mds2-2800
issued	2022-10-07
language	[ "en" ]
programCode	[ "006:045" ]
theme	[ "Chemistry:Chemical thermodynamics and chemical properties" ]