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Testing properties of integrand
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Might give insight into whats happening here. Seems like its mainly 1.0 - intgrand of int(c(r))
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2AUK committed Nov 7, 2023
1 parent d5c7c53 commit 7a6f1cf
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion src/thermodynamics/thermo.rs
Original file line number Diff line number Diff line change
Expand Up @@ -187,7 +187,7 @@ impl<'a> TDDriver<'a> {
&self.solutions,
&self.wv,
self.wu.as_ref().unwrap(),
self.rism_kb_partial_molar_volume_density(),
self.rism_kb_partial_molar_volume_density_2(),
);
let pressure = self.pressure();
let sfe = SFEs::new(&sfed, pressure, rism_kb_pmv, grid.dr);
Expand Down Expand Up @@ -373,6 +373,7 @@ impl<'a> TDDriver<'a> {
let p_sum = self.total_density();

compressibility * (1.0 - p_sum * integrand)
//1.0 - integrand
}

fn total_density(&self) -> f64 {
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