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pub fn calc_dE(Es: &[f64], T: f64) -> f64 {
let n = Es.len() as f64;
let avg_E_sq = (Es.iter().fold(0.0, |sum, E| sum + E.powi(2)) as f64) / n;
let avg_E = (Es.iter().sum::<f64>() as f64) / n;
(avg_E_sq - avg_E.powi(2)) / T
}
pub fn calc_X(Is: &[f64]) -> f64 {
let n = Is.len() as f64;
let avg_I_sq = (Is.iter().fold(0.0, |sum, I| sum + I.powi(2)) as f64) / n;
let avg_I = (Is.iter().sum::<f64>() as f64) / n;
avg_I_sq - avg_I.powi(2)
}
pub fn calc_I(Is: &[f64]) -> f64 {
Is.iter().sum::<f64>() / Is.len() as f64
}
pub fn calc_flip_probability(E_diff: f64, T: f64, K: f64) -> f64 {
if E_diff < 0.0 {
1.0
} else {
std::f64::consts::E.powf(-E_diff / (K * T))
}
}
pub struct TRange {
T_min: f64,
T_max: f64,
T_step: f64,
counter: usize,
}
impl TRange {
pub fn from_step(T_min: f64, T_max: f64, T_step: f64) -> Self {
assert!(T_min < T_max && T_step > 0.0);
Self {
T_min,
T_max,
T_step,
counter: 0,
}
}
pub fn from_n(T_min: f64, T_max: f64, n: i32) -> Self {
assert!(T_min < T_max);
Self {
T_min,
T_max,
T_step: (T_max - T_min) / f64::from(n),
counter: 0,
}
}
}
impl Iterator for TRange {
type Item = f64;
fn next(&mut self) -> Option<Self::Item> {
let T = self.T_min + self.T_step * self.counter as f64;
self.counter += 1;
if T <= self.T_max {
Some(T)
} else {
None
}
}
}
#[cfg(test)]
mod test {
use ::pretty_assertions::assert_eq;
use super::*;
fn float_error(x: f64, t: f64) -> f64 {
(x - t).abs() / t
}
#[test]
fn test_calculate_energy_fluctuation() {
let Es = &[3.0, 5.0, 10.0, 2.0];
let T = 0.5;
let dE = calc_dE(Es, T);
assert!(float_error(dE, 19.0) < 0.01);
}
#[test]
fn test_caluculate_magnetic_susceptibility() {
let Is = &[0.2, 0.4, 0.6, 0.8];
let X = calc_X(Is);
assert!(float_error(X, 0.05) < 0.01);
}
#[test]
fn test_calc_magnetization() {
let Is = &[0.2, 0.4, 0.6, 0.8];
let I = calc_I(Is);
assert!(float_error(I, 0.5) < 0.01);
}
#[test]
fn test_calculate_flip_probability() {
let k = 1.0;
let T = 10.0;
let E_diff = -10.0;
let probability = calc_flip_probability(E_diff, k, T);
assert!(float_error(probability, 1.0) < 0.01);
let E_diff = 10.0;
let probability = calc_flip_probability(E_diff, k, T);
assert!(float_error(probability, 0.37) < 0.01);
}
#[test]
fn test_generate_T_range() {
let (T_min, T_max) = (0.2, 0.7);
let n = 5;
let T_range = TRange::from_n(T_min, T_max, n).collect::<Vec<f64>>();
assert_eq!(T_range, vec![0.2, 0.3, 0.4, 0.5, 0.6, 0.7]);
}
}