Added more context to error message for NR rootfinder.

drobnyjt · drobnyjt · commit 093a857e970e · 2021-10-18T16:27:04.000-07:00
diff --git a/src/bca.rs b/src/bca.rs
@@ -698,8 +698,8 @@ pub fn newton_rootfinder(Za: f64, Zb: f64, Ma: f64, Mb: f64, E0: f64, impact_par
             return Ok(x0);
         }
     }
-    return Err(anyhow!("Numerical error: exceeded maximum number of Newton-Raphson iterations, {}. E: {}; x0: {}; Error: {}; Tolerance: {}",
-        max_iterations, E0, x0, err, tolerance));
+    return Err(anyhow!("Numerical error: exceeded maximum number of Newton-Raphson iterations, {}. E: {} eV; x0: {}; Error: {}; Tolerance: {}; Za: {}; Zb: {}; Ma: {} amu; Mb: {} amu; a: {}; p: {} A",
+        max_iterations, E0/Q, x0, err, tolerance, Za, Zb, Ma/AMU, Mb/AMU, a, impact_parameter/ANGSTROM));
 }
 
 /// Gauss-Mehler quadrature.

Original file line number	Diff line number	Diff line change
`@@ -698,8 +698,8 @@ pub fn newton_rootfinder(Za: f64, Zb: f64, Ma: f64, Mb: f64, E0: f64, impact_par`
`698`	`698`	`return Ok(x0);`
`699`	`699`	`}`
`700`	`700`	`}`
`701`		`- return Err(anyhow!("Numerical error: exceeded maximum number of Newton-Raphson iterations, {}. E: {}; x0: {}; Error: {}; Tolerance: {}",`
`702`		`- max_iterations, E0, x0, err, tolerance));`
	`701`	`+ return Err(anyhow!("Numerical error: exceeded maximum number of Newton-Raphson iterations, {}. E: {} eV; x0: {}; Error: {}; Tolerance: {}; Za: {}; Zb: {}; Ma: {} amu; Mb: {} amu; a: {}; p: {} A",`
	`702`	`+ max_iterations, E0/Q, x0, err, tolerance, Za, Zb, Ma/AMU, Mb/AMU, a, impact_parameter/ANGSTROM));`
`703`	`703`	`}`
`704`	`704`
`705`	`705`	`/// Gauss-Mehler quadrature.`