From 7a6f1cf045ba787c87404b31ebd0663a6ffa525e Mon Sep 17 00:00:00 2001
From: Abdullah Ahmad <abdullah.ahmad@strath.ac.uk>
Date: Tue, 7 Nov 2023 01:04:00 +0000
Subject: [PATCH] Testing properties of integrand

Might give insight into whats happening here. Seems like its mainly 1.0 - intgrand of int(c(r))
---
 src/thermodynamics/thermo.rs | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/thermodynamics/thermo.rs b/src/thermodynamics/thermo.rs
index 3b1c321d..1ce10522 100644
--- a/src/thermodynamics/thermo.rs
+++ b/src/thermodynamics/thermo.rs
@@ -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);
@@ -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 {