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 = 0.52917721067
constexpr double	ANGSTROM_TO_BOHR = 1.0 / BOHR_TO_ANGSTROM
constexpr double	BOHR_TO_METER = BOHR_TO_ANGSTROM * 1e-10
constexpr double	METER_TO_BOHR = 1.0 / BOHR_TO_METER
constexpr double	AU_TO_JOULE = 4.3597447222071e-18
constexpr double	JOULE_TO_AU = 1.0 / AU_TO_JOULE
constexpr double	AU_TO_KJ_PER_MOL = AU_TO_JOULE * constants::avogadro<double> / 1000.0
constexpr double	AU_TO_KCAL_PER_MOL = AU_TO_KJ_PER_MOL / 4.184
constexpr double	AU_TO_EV = 27.211386245988
constexpr double	AU_TO_KELVIN = AU_TO_JOULE / constants::boltzmann<double>
constexpr double	EV_TO_JOULE = 1.602176634e-19
constexpr double	EV_TO_KJ_PER_MOL = EV_TO_JOULE * constants::avogadro<double> / 1000.0
constexpr double	KJ_TO_KCAL = 1.0 / 4.184
constexpr double	AU_TO_PER_CM = AU_TO_JOULE / (constants::planck<double> * constants::speed_of_light<double> * 100.0)
constexpr double	PER_CM_TO_AU = 1.0 / AU_TO_PER_CM
constexpr double	AMU_TO_KG = constants::molar_mass_constant<double> / constants::avogadro<double>
constexpr double	AMU_TO_AU = 1822.888486209
constexpr double	AU_TO_AMU = 1.0 / AMU_TO_AU
constexpr double	SPEED_OF_LIGHT_CM_PER_S = constants::speed_of_light<double> * 100.0
constexpr double	SPEED_OF_LIGHT_AU = 137.035999084
constexpr double	PI = constants::pi<double>
constexpr double	KJ_PER_MOL_PER_ANGSTROM3_TO_GPA = 1.6605388

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

AMU_TO_AU

constexpr double occ::units::AMU_TO_AU = 1822.888486209

constexpr

AMU_TO_KG

constexpr double occ::units::AMU_TO_KG = constants::molar_mass_constant<double> / constants::avogadro<double>

constexpr

ANGSTROM_TO_BOHR

constexpr double occ::units::ANGSTROM_TO_BOHR = 1.0 / BOHR_TO_ANGSTROM

constexpr

AU_TO_AMU

constexpr double occ::units::AU_TO_AMU = 1.0 / AMU_TO_AU

constexpr

AU_TO_EV

constexpr double occ::units::AU_TO_EV = 27.211386245988

constexpr

AU_TO_JOULE

constexpr double occ::units::AU_TO_JOULE = 4.3597447222071e-18

constexpr

AU_TO_KCAL_PER_MOL

constexpr double occ::units::AU_TO_KCAL_PER_MOL = AU_TO_KJ_PER_MOL / 4.184

constexpr

AU_TO_KELVIN

constexpr double occ::units::AU_TO_KELVIN = AU_TO_JOULE / constants::boltzmann<double>

constexpr

AU_TO_KJ_PER_MOL

constexpr double occ::units::AU_TO_KJ_PER_MOL = AU_TO_JOULE * constants::avogadro<double> / 1000.0

constexpr

AU_TO_PER_CM

constexpr double occ::units::AU_TO_PER_CM = AU_TO_JOULE / (constants::planck<double> * constants::speed_of_light<double> * 100.0)

constexpr

BOHR_TO_ANGSTROM

constexpr double occ::units::BOHR_TO_ANGSTROM = 0.52917721067

constexpr

BOHR_TO_METER

constexpr double occ::units::BOHR_TO_METER = BOHR_TO_ANGSTROM * 1e-10

constexpr

EV_TO_JOULE

constexpr double occ::units::EV_TO_JOULE = 1.602176634e-19

constexpr

EV_TO_KJ_PER_MOL

constexpr double occ::units::EV_TO_KJ_PER_MOL = EV_TO_JOULE * constants::avogadro<double> / 1000.0

constexpr

JOULE_TO_AU

constexpr double occ::units::JOULE_TO_AU = 1.0 / AU_TO_JOULE

constexpr

KJ_PER_MOL_PER_ANGSTROM3_TO_GPA

constexpr double occ::units::KJ_PER_MOL_PER_ANGSTROM3_TO_GPA = 1.6605388

constexpr

KJ_TO_KCAL

constexpr double occ::units::KJ_TO_KCAL = 1.0 / 4.184

constexpr

METER_TO_BOHR

constexpr double occ::units::METER_TO_BOHR = 1.0 / BOHR_TO_METER

constexpr

PER_CM_TO_AU

constexpr double occ::units::PER_CM_TO_AU = 1.0 / AU_TO_PER_CM

constexpr

PI

constexpr double occ::units::PI = constants::pi<double>

constexpr

SPEED_OF_LIGHT_AU

constexpr double occ::units::SPEED_OF_LIGHT_AU = 137.035999084

constexpr

SPEED_OF_LIGHT_CM_PER_S

constexpr double occ::units::SPEED_OF_LIGHT_CM_PER_S = constants::speed_of_light<double> * 100.0

constexpr