units.h File Reference

#include <cmath>
#include <occ/core/constants.h>

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Namespaces
namespace	occ
namespace	occ::units

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

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