# Based on the default Pint defaults definition file (0.16.1)
#   https://github.com/hgrecco/pint/tree/master/pint
#
# Based on the International System of Units
# Language: english
# :copyright: 2013,2019 by Pint Authors, see https://github.com/hgrecco/pint/blob/0.16.1/AUTHORS for more details.

@defaults
    group = international
    system = mks
@end


#### PREFIXES ####

# decimal prefixes
yocto- = 1e-24 = y-
zepto- = 1e-21 = z-
atto- =  1e-18 = a-
femto- = 1e-15 = f-
pico- =  1e-12 = p-
nano- =  1e-9  = n-
micro- = 1e-6  = µ- = u-
milli- = 1e-3  = m-
centi- = 1e-2  = c-
deci- =  1e-1  = d-
deca- =  1e+1  = da- = deka-
hecto- = 1e2   = h-
kilo- =  1e3   = k-
mega- =  1e6   = M-
giga- =  1e9   = G-
tera- =  1e12  = T-
peta- =  1e15  = P-
exa- =   1e18  = E-
zetta- = 1e21  = Z-
yotta- = 1e24  = Y-

# binary_prefixes
kibi- = 2**10 = Ki-
mebi- = 2**20 = Mi-
gibi- = 2**30 = Gi-
tebi- = 2**40 = Ti-
pebi- = 2**50 = Pi-
exbi- = 2**60 = Ei-
zebi- = 2**70 = Zi-
yobi- = 2**80 = Yi-


#### BASE UNITS ####

meter = [length] = m = metre
second = [time] = s = sec
ampere = [current] = A = amp
gram = [mass] = g
mole = [substance] = mol
kelvin = [temperature]; offset: 0 = K = degK = °K = degree_Kelvin = degreeK  # older names supported for compatibility
radian = [] = rad
bit = []
count = []


#### CONSTANTS ####

@import constants.txt


#### UNITS ####

# Angle
degree = π / 180 * radian = deg = arcdeg = arcdegree = angular_degree

# Information
byte = 8 * bit = B = octet

# Length
angstrom = 1e-10 * meter = Å = ångström = Å
micron = micrometer = µ
fermi = femtometer = fm
bohr = hbar / (alpha * m_e * c) = a_0 = a0 = bohr_radius = atomic_unit_of_length = a_u_length

# Mass
unified_atomic_mass_unit = atomic_mass_constant = u = amu
dalton = atomic_mass_constant = Da

# Time
minute = 60 * second = min
hour = 60 * minute = hr
day = 24 * hour = d
week = 7 * day
year = 365.25 * day = a = yr = julian_year
month = year / 12

# MD Time
timestep = [timestep] = _ = timesteps

# Temperature
degree_Celsius = kelvin; offset: 273.15 = °C = celsius = degC = degreeC

# Volume
[volume] = [length] ** 3
liter = decimeter ** 3 = l = L = litre

# Frequency
[frequency] = 1 / [time]
hertz = 1 / second = Hz

# Wavenumber
[wavenumber] = 1 / [length]
reciprocal_centimeter = 1 / cm = cm_1 = kayser

# Velocity
# As of 0.20, derived dimensions cannot have aliases
[velocity] = [length] / [time]

# Acceleration
[acceleration] = [velocity] / [time]

# Force
[force] = [mass] * [acceleration]
newton = kilogram * meter / second ** 2 = N
dyne = gram * centimeter / second ** 2 = dyn

# Energy
[energy] = [force] * [length]
joule = newton * meter = J
erg = dyne * centimeter
rydberg = h * c * R_inf = Ry
hartree = 2 * rydberg = E_h = Eh = hartree_energy = atomic_unit_of_energy = a_u_energy
calorie = 4.184 * joule = cal = thermochemical_calorie = cal_th

# Energy per mole
calorie_per_mole = calorie / mol
joule_per_mole = joule / mol
calories_per_mole = calorie / mol
joules_per_mole = joule / mol

# OpenMM compatibility
kilocalorie_per_mole = kilocalorie / mol
kilojoule_per_mole = kilojoule / mol
kilocalories_per_mole = kilocalorie / mol
kilojoules_per_mole = kilojoule / mol

# Momentum
[momentum] = [length] * [mass] / [time]

# Density (as auxiliary for pressure)
[density] = [mass] / [volume]

# Pressure
[pressure] = [force] / [area]
pascal = newton / meter ** 2 = Pa
bar = 1e5 * pascal

# Concentration
[concentration] = [substance] / [volume]
molar = mole / liter = M

# Charge
[charge] = [current] * [time]
coulomb = ampere * second = C
faraday = e * N_A * mole

# Electric potential
[electric_potential] = [energy] / [charge]
volt = joule / coulomb = V

# Capacitance
[capacitance] = [charge] / [electric_potential]
farad = coulomb / volt = F

# Electric dipole moment
[electric_dipole] = [charge] * [length]
debye = 1e-9 / ζ * coulomb * angstrom = D  # formally 1 D = 1e-10 Fr*Å, but we generally want to use it outside the Gaussian context

#### SYSTEMS OF UNITS ####

@system mks using international
    meter
    kilogram
    second
@end