version up

This commit is contained in:
Daniel Bauer
2020-10-26 10:52:22 +01:00
4 changed files with 23 additions and 21 deletions

View File

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