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

    Metadata Updated: October 15, 2022

    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.

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

    Downloads & Resources

    Dates

    Metadata Created Date October 15, 2022
    Metadata Updated Date October 15, 2022
    Data Update Frequency R/P3M

    Metadata Source

    Harvested from NIST

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date October 15, 2022
    Metadata Updated Date October 15, 2022
    Publisher National Institute of Standards and Technology
    Maintainer
    Identifier ark:/88434/mds2-2800
    Data First Published 2022-10-07
    Language en
    Data Last Modified 2022-09-26 00:00:00
    Category Chemistry:Chemical thermodynamics and chemical properties
    Public Access Level public
    Data Update Frequency R/P3M
    Bureau Code 006:55
    Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
    Harvest Object Id 17c9f41b-e9e2-404d-a4c4-39b493844c08
    Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
    Harvest Source Title NIST
    License https://www.nist.gov/open/license
    Program Code 006:045
    Source Datajson Identifier True
    Source Hash ba705c5b2e3795095e73d91a0fc867891cf5d9cb
    Source Schema Version 1.1

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