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units.h File Reference
#include <cmath>
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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 = 0.529177210903
 
constexpr double occ::units::ANGSTROM_TO_BOHR = 1 / BOHR_TO_ANGSTROM
 
constexpr double occ::units::AU_TO_KJ_PER_MOL = 2625.499639
 
constexpr double occ::units::AU_TO_PER_CM = 219474.63
 
constexpr double occ::units::AU_TO_KCAL_PER_MOL = 627.5096080305927
 
constexpr double occ::units::EV_TO_KJ_PER_MOL = 96.48530749925973
 
constexpr double occ::units::AU_TO_EV = 27.211399
 
constexpr double occ::units::AU_TO_KELVIN = 315777.09
 
constexpr double occ::units::KJ_TO_KCAL = AU_TO_KCAL_PER_MOL / AU_TO_KJ_PER_MOL
 
constexpr double occ::units::PI = 3.14159265358979323846