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2 datasets found

Federal

tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data.

National Institute of Standards and Technology —

A python package to analyze lnPi data from Transition Matrix Monte Carlo(TMMC) simulation. The main output from TMMC simulations, lnPi,...
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Federal

`thermoextrap`: Thermodynamic Extrapolation/Interpolation Library

National Institute of Standards and Technology —

This is a python package to perform thermodynamic extrapolation andinterpolation of observables calculated from molecular simulations. This allowsfor more efficient...
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2 datasets found

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