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moved bias calculation methods to histogram and implemented cyclic conditions

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This commit is contained in:
Daniel Bauer
2018-10-06 12:30:19 +02:00
parent c8b8e29c9c
commit 05c795b83c
5 changed files with 122 additions and 58 deletions
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5
src/io.rs
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@@ -71,7 +71,7 @@ pub fn read_data(cfg: &Config) -> Option<HistogramSet> {
if histograms.len() > 0 {
let bin_width = (cfg.hist_max - cfg.hist_min)/(cfg.num_bins as f32);
Some(HistogramSet::new(cfg.num_bins, bin_width, cfg.hist_min, cfg.hist_max, bias_x0, bias_fc, kT, histograms))
Some(HistogramSet::new(cfg.num_bins, bin_width, cfg.hist_min, cfg.hist_max, bias_x0, bias_fc, kT, histograms, cfg.cyclic))
} else {
None
}
@@ -146,7 +146,8 @@ mod tests {
verbose: false,
tolerance: 0.0,
max_iterations: 0,
temperature: 300.0
temperature: 300.0,
cyclic: false
}
}