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mapsci-v0.0.3

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@jaclark5 jaclark5 released this 13 Nov 17:14
· 1 commit to master since this release
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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.