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https://github.com/dnlbauer/WHAM.git
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store final PMF in a file
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@@ -21,9 +21,10 @@ fn cli() -> Result<Config, Box<Error>> {
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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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let output = matches.value_of("output").unwrap_or("wham.out").to_string();
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Ok(wham::Config{metadata_file, hist_min, hist_max, num_bins,
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verbose, tolerance, max_iterations, temperature, cyclic})
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verbose, tolerance, max_iterations, temperature, cyclic, output})
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}
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fn main() {
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