Function report_constraint_status 

pub fn report_constraint_status(
    geometry: &Geometry,
    constraints: &[Constraint],
    lambdas: &[f64],
    step: usize,
)

Reports the current status of all constraints during optimization.

This function evaluates all constraints and provides detailed status information including current values, target values, violations, and convergence status.

Arguments

• geometry - Current molecular geometry
• constraints - List of constraints to evaluate
• lambdas - Current Lagrange multipliers
• step - Current optimization step number

Examples

use omecp::constraints::{report_constraint_status, Constraint};
use omecp::geometry::Geometry;

let geometry = Geometry::new(/* ... */);
let constraints = vec![
    Constraint::Bond { atoms: (0, 1), target: 1.5 }
];
let lambdas = vec![0.1];

report_constraint_status(&geometry, &constraints, &lambdas, 5);