{"@type": "dcat:Dataset", "accessLevel": "public", "accrualPeriodicity": "R/P3M", "bureauCode": ["006:55"], "contactPoint": {"fn": "William P. Krekelberg", "hasEmail": "mailto:william.krekelberg@nist.gov"}, "description": "`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.", "distribution": [{"downloadURL": "https://data.nist.gov/od/ds/mds2-2800/README.pdf", "mediaType": "application/pdf", "title": "README"}, {"accessURL": "https://github.com/usnistgov/analphipy", "title": "analphipy: A python package to analyze pair-potential metrics"}], "identifier": "ark:/88434/mds2-2800", "issued": "2022-10-07", "keyword": ["Python", "Statistical Mechanics"], "language": ["en"], "license": "https://www.nist.gov/open/license", "modified": "2022-09-26 00:00:00", "programCode": ["006:045"], "publisher": {"@type": "org:Organization", "name": "National Institute of Standards and Technology"}, "theme": ["Chemistry:Chemical thermodynamics and chemical properties"], "title": "analphipy: A python package to analyze pair-potential metrics."}