faunus
Typedefs | Functions
Faunus::ChemistryUnits Namespace Reference

Chemistry units. More...

Typedefs

using T = double
 floating point size
 

Functions

constexpr T operator""_rad (long double radians)
 angle in radians
 
constexpr T operator""_deg (long double degrees)
 angle in degrees (to radians)
 
constexpr T operator""_K (long double kelvin)
 temperature in kelvins
 
constexpr T operator""_C (long double celsius)
 temperature in degrees Celsius (to kelvins)
 
constexpr T operator""_ps (long double picoseconds)
 time in picoseconds
 
constexpr T operator""_s (long double secs)
 time in seconds (to picoseconds)
 
constexpr T operator""_angstrom (long double angstroms)
 length in ångströms
 
constexpr T operator""_nm (long double nanometers)
 length in nanometers (to ångströms)
 
constexpr T operator""_m (long double meters)
 length in meters (to ångströms)
 
constexpr T operator""_bohr (long double bohrs)
 length in Bohr radii (to ångströms)
 
constexpr T operator""_angstrom3 (long double cubic_angstroms)
 volume in cubic ångströms
 
constexpr T operator""_m3 (long double cubic_meters)
 volume in cubic meters (to cubic ångströms)
 
constexpr T operator""_liter (long double liters)
 volume in liters (to cubic ångströms)
 
constexpr T operator""_gmol (long double grams_per_mole)
 mass in grams per mole
 
constexpr T operator""_kg (long double kilograms)
 mass in kilograms per particle (to grams per mole)
 
constexpr T operator""_Da (long double daltons)
 mass in daltons per particle (to grams per mole)
 
constexpr T operator""_mol (long double moles)
 amount of substance in moles (to number of particles)
 
constexpr T operator""_molar (long double molarity)
 molar concentration (to particle density in number of particles per cubic ångström)
 
constexpr T operator""_millimolar (long double millimolar)
 millimolar concentration (to particle density in number of particles per cubic ångström)
 
T operator""_Pa (long double pascals)
 pressure in pascals (to particle density in number of particles per cubic ångström – assuming the ideal gas law)
 
T operator""_atm (long double atmospheres)
 pressure in atmospheres (to particle density in number of particles per cubic ångström – assuming the ideal gas law)
 
T operator""_bar (long double bars)
 pressure in bars (to particles per cubic ångström – assuming the ideal gas law)
 
constexpr T operator""_eA (long double electron_angstroms)
 dipole moment in electron—ångströms
 
constexpr T operator""_debye (long double debyes)
 dipole moment in debyes (to electron-ångströms)
 
constexpr T operator""_Cm (long double coulomb_meters)
 dipole moment in coulomb-meters (to electron ångströms)
 
constexpr T operator""_kT (long double kT)
 energy in kT (to kT)
 
T operator""_J (long double joules)
 energy in joules (to thermal energy units kT)
 
T operator""_hartree (long double hartrees)
 energy in hartrees (to kT)
 
T operator""_kJmol (long double kJ_per_mole)
 energy in kilojoules per mole (to kT per particle)
 
T operator""_kcalmol (long double kcal_per_mole)
 energy in kilocalories per mole (to kT per particle)
 

Detailed Description

Chemistry units.

String literals to convert to the following internal units:

Property Unit
energy thermal energy unit (kT)
temperature kelvin (K)
time picosecond (ps)
length ångström (Å)
charge electron unit charge (e)
dipole moment electron-ångström (eÅ)
concentration number of particles per cubic ångström (Å⁻³)
pressure number of particles per cubic ångström (Å⁻³)
mass grams per mole (g/mol)
angle radians (rad)

The value of pressure in particle densities assumes the ideal gas law.