analphipy: A python package to analyze pair-potential metrics.
收藏NIST Chemistry WebBook2022-10-07 更新2026-03-14 收录
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https://data.nist.gov/od/id/mds2-2800
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资源简介：
`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.
