pub fn forces_bohr_to_angstrom(forces: &DVector<f64>) -> DVector<f64>Expand description
Convert forces from Hartree/Bohr to Hartree/Angstrom.
Forces have units of energy/length. To convert from Ha/Bohr to Ha/Å:
F(Ha/Å) = F(Ha/Bohr) × (1 Bohr / 0.529177 Å) = F(Ha/Bohr) × ANGSTROM_TO_BOHRThis ensures forces are consistent with coordinates stored in Angstrom.