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https://github.com/dnlbauer/WHAM.git
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moved bias calculation methods to histogram and implemented cyclic conditions
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@@ -18,12 +18,12 @@ fn cli() -> Result<Config, Box<Error>> {
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let num_bins: usize = matches.value_of("bins").unwrap().parse()?;
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let verbose: bool = matches.is_present("verbose");
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let temperature: f32 = matches.value_of("temperature").unwrap().parse()?;
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let tolerance: f32 = matches.value_of("tolerance").unwrap_or("0.000001").parse()?;
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let max_iterations: usize = matches.value_of("iterations").unwrap_or("100000").parse()?;
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let cyclic: bool = matches.is_present("cyclic");
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Ok(wham::Config{metadata_file, hist_min, hist_max, num_bins,
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verbose, tolerance, max_iterations, temperature})
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verbose, tolerance, max_iterations, temperature, cyclic})
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}
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fn main() {
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