{
  "@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.\n\n",
  "distribution": [
    {
      "accessURL": "https://github.com/usnistgov/analphipy",
      "title": "analphipy: A python package to analyze pair-potential metrics"
    },
    {
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2800/README.pdf",
      "mediaType": "application/pdf",
      "title": "README"
    }
  ],
  "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."
}