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Daniel Bauer
2021-07-21 16:47:32 +02:00
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src/cli.yml
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name: wham
version: "1.1.1"
version: "1.1.2"
author: D. Bauer <bauer@cbs.tu-darmstadt.de>
about: |
wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports potential of mean force (PMF) calculations in multiple dimensions at constant temperature.