Printing PMV integrals

The integrals for the PMV densities are incorrect. Need to evaluate further.
2AUK · Nov 7, 2023 · d5c7c53 · d5c7c53
1 parent e63053f
commit d5c7c53
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diff --git a/pyrism/tests/test_thermo.py b/pyrism/tests/test_thermo.py
@@ -1,5 +1,4 @@
 from pyrism.rism_ctrl import *
-from pyrism import rust_helpers
 import matplotlib.pyplot as plt
 
 mol = RismController("../data/cSPCE_DRISM_methane.toml")

diff --git a/src/thermodynamics/thermo.rs b/src/thermodynamics/thermo.rs
@@ -193,6 +193,12 @@ impl<'a> TDDriver<'a> {
                 let sfe = SFEs::new(&sfed, pressure, rism_kb_pmv, grid.dr);
                 let temperature = self.solutions.config.data_config.temp;
 
+                println!(
+                    "1: {}\n2: {}",
+                    SFEs::integrate(&self.rism_kb_partial_molar_volume_density(), grid.dr),
+                    SFEs::integrate(&self.rism_kb_partial_molar_volume_density_2(), grid.dr)
+                );
+
                 Thermodynamics {
                     temperature,
                     total_density,