This project is a Python implementation of the [mapped-averaging] (https://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00018) method for precise estimation of ensemble averages from molecular simulation outputs.
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Resources to support the use of mapped averaging with other molecular simulation packages
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etomica/mapped-averaging
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Resources to support the use of mapped averaging with other molecular simulation packages
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