Fix bad initial value for Yamamoto method

Change initial value from the automatic middle of the boundary space (500 & 500) to (1, 1), as an initial value of 500 can lead to numerical errors.
fau-advanced-separations · Dec 2, 2023 · d428e9e · d428e9e
1 parent bdb1fe0
commit d428e9e
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/CADETProcess/tools/yamamoto.py b/CADETProcess/tools/yamamoto.py
@@ -255,7 +255,7 @@ def yamamoto_wrapper(c_s, nu, k_eq):
         return yamamoto_equation(c_s, lambda_, nu, k_eq)
 
     results, pcov = curve_fit(
-        yamamoto_wrapper, log_c_salt_at_max_M, log_gradient_slope, bounds=bounds
+        yamamoto_wrapper, log_c_salt_at_max_M, log_gradient_slope, bounds=bounds, p0=(1, 1)
     )
 
     return results