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Daniel Bauer
2018-11-15 10:19:39 +01:00
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[![Build Status](https://travis-ci.com/danijoo/WHAM.svg?branch=master)](https://travis-ci.com/danijoo/WHAM) [![crates.io](https://img.shields.io/badge/crates.io-orange.svg?longCache=true)](https://www.crates.io/crates/wham) [![Build Status](https://travis-ci.com/danijoo/WHAM.svg?branch=master)](https://travis-ci.com/danijoo/WHAM) [![crates.io](https://img.shields.io/badge/crates.io-orange.svg?longCache=true)](https://www.crates.io/crates/wham) [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.1488598.svg)](https://doi.org/10.5281/zenodo.1488598)
Weighted Histogram Analysis Method (WHAM) Weighted Histogram Analysis Method (WHAM)
=== ===
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- Autocorrelation - Autocorrelation
- Replica exchange - Replica exchange
License License & Citing
--- ---
WHAM is licensed under the GPL-3.0 license. Please read the LICENSE file in this WHAM is licensed under the GPL-3.0 license. Please read the LICENSE file in this
repository for more information. repository for more information.
There's no publication for this WHAM implementation. However, there is a citeabe DOI. If you use this software for your work, please consider citing it: *Bauer, D, WHAM - An efficient weighted histogram analysis implementation written in Rust, Zenodo. https://doi.org/10.5281/zenodo.1488597*
Parts of this work, especially some perfomance optimizations and the I/O format, are inspired by the Parts of this work, especially some perfomance optimizations and the I/O format, are inspired by the
implementation of A. Grossfield (*Grossfield, A, WHAM: the weighted histogram analysis method, http://membrane.urmc.rochester.edu/content/wham*). implementation of A. Grossfield (*Grossfield, A, WHAM: the weighted histogram analysis method, http://membrane.urmc.rochester.edu/content/wham*).