occ::units Namespace Reference

Functions
template<typename T >
constexpr auto	radians (T x)
template<typename T >
constexpr auto	degrees (T x)
template<typename T >
constexpr auto	angstroms (T x)

Variables
constexpr double	BOHR_TO_ANGSTROM = 0.529177210903
constexpr double	ANGSTROM_TO_BOHR = 1 / BOHR_TO_ANGSTROM
constexpr double	AU_TO_KJ_PER_MOL = 2625.499639
constexpr double	AU_TO_PER_CM = 219474.63
constexpr double	AU_TO_KCAL_PER_MOL = 627.5096080305927
constexpr double	EV_TO_KJ_PER_MOL = 96.48530749925973
constexpr double	AU_TO_EV = 27.211399
constexpr double	AU_TO_KELVIN = 315777.09
constexpr double	KJ_TO_KCAL = AU_TO_KCAL_PER_MOL / AU_TO_KJ_PER_MOL
constexpr double	PI = 3.14159265358979323846

Function Documentation

angstroms()

template<typename T >

constexpr auto occ::units::angstroms ( T  x )

constexpr

degrees()

template<typename T >

constexpr auto occ::units::degrees ( T  x )

constexpr

radians()

template<typename T >

constexpr auto occ::units::radians ( T  x )

constexpr

Variable Documentation

ANGSTROM_TO_BOHR

constexpr double occ::units::ANGSTROM_TO_BOHR = 1 / BOHR_TO_ANGSTROM

constexpr

AU_TO_EV

constexpr double occ::units::AU_TO_EV = 27.211399

constexpr

AU_TO_KCAL_PER_MOL

constexpr double occ::units::AU_TO_KCAL_PER_MOL = 627.5096080305927

constexpr

AU_TO_KELVIN

constexpr double occ::units::AU_TO_KELVIN = 315777.09

constexpr

AU_TO_KJ_PER_MOL

constexpr double occ::units::AU_TO_KJ_PER_MOL = 2625.499639

constexpr

AU_TO_PER_CM

constexpr double occ::units::AU_TO_PER_CM = 219474.63

constexpr

BOHR_TO_ANGSTROM

constexpr double occ::units::BOHR_TO_ANGSTROM = 0.529177210903

constexpr

EV_TO_KJ_PER_MOL

constexpr double occ::units::EV_TO_KJ_PER_MOL = 96.48530749925973

constexpr

KJ_TO_KCAL

constexpr double occ::units::KJ_TO_KCAL = AU_TO_KCAL_PER_MOL / AU_TO_KJ_PER_MOL

constexpr

PI

constexpr double occ::units::PI = 3.14159265358979323846

constexpr