Published November 13, 2020 | Version 0.0.3
Software Open

jaclark5/mapsci: mapsci-v0.0.3

Creators

  • 1. North Carolina State University

Description

The first release of MAPSCI: Multipole Approach of Predicting and Scaling Cross Interactions.

MAPSCI is an importable package that can be used to estimate cross-interaction parameters for the Mie potential using multipole moments. This is useful for the SAFT-𝛾-Mie equation of state, as well as Molecular Dynamics and Monte Carlo simulation methods.

Files

jaclark5/mapsci-0.0.3.zip

Files (222.5 kB)

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Additional details

Related works

Is supplement to
https://github.com/jaclark5/mapsci/tree/0.0.3 (URL)