GQCP::units Namespace Reference

Namespaces
namespace	constants

Functions
double	angstrom_to_bohr (double value_in_angstrom)
double	bohr_to_angstrom (double value_in_bohr)

Function Documentation

angstrom_to_bohr()

double GQCP::units::angstrom_to_bohr ( double  value_in_angstrom )

inline

Parameters

value_in_angstrom

a distance expressed in angstrom

Returns

the value in bohr (a.u.)

bohr_to_angstrom()

double GQCP::units::bohr_to_angstrom ( double  value_in_bohr )

inline

Parameters

value_in_bohr

a distance expressed in bohr

Returns

the value in angstrom