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@@ -132,6 +132,7 @@ fn is_in_time_boundaries(time: f64, cfg: &Config) -> bool {
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false
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}
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// parse a time series file into a histogram
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fn read_window_file(window_file: &str, cfg: &Config) -> Result<(Histogram, usize)> {
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// total number of bins is the product of all dimensions length
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@@ -210,6 +211,7 @@ fn read_timeseries(window_file: &str, cfg: &Config) -> Result<Vec<Vec<f64>>> {
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Ok(timeseries)
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}
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// calculates the inefficiency for every collective variable
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// filters the timeseries based on the highest inefficiency
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fn uncorrelate(timeseries: Vec<Vec<f64>>, cfg: &Config) -> Vec<Vec<f64>> {
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