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forcefields::unit_system Namespace Reference

Physical constants and unit conversion. More...

Variables

const double R_gas = 8.314472
const double k_boltzmann = 1.3806505e-23
const double Na_avogadro = 6.0221415e23
const double calory = 4.1868
const double e_charge = 1.60217653e-19
const double debye
const double one_over_4_pi_epsilon0
 This is the quantity 1/(4*pi*epsilon0) in SI units.
const double sqrt_one_over_4_pi_epsilon0 = 9.48026992492973368e+04
 This is the quantity 1/sqrt(4*pi*epsilon0) in SI units.
const double pi = 3.14159265358979312
const double MOL = Na_avogadro
const double DEGREE = pi / 180
const char LENGTH [] = "A"
const char TIME [] = "fs"
const char MASS [] = "eV A^-2 fs^2"
const char CURRENT [] = "e/fs"
const char VELOCITY [] = "A fs^-1"
const char ACCELERATION [] = "A fs^-2"
const char FORCE [] = "eV/A"
const char ENERGY [] = "eV"
const char PRESSURE [] = "eV A^-3"
const char CHARGE [] = "(eV A)^(-1/2)"
const double METRE = 1e10
const double KG = 1e10 / e_charge
const double SECOND = 1e15
const double AMPERE = 1e-15 / e_charge
const char *const TEMPERATURE = ENERGY
const double METRE_PER_SECOND = METRE / SECOND
const double METRE_PER_SECOND2 = METRE_PER_SECOND / SECOND
const double NEWTON = KG * METRE_PER_SECOND2
const double JOULE = NEWTON * METRE
const double COULOMB = AMPERE * SECOND
const double WATT = JOULE / SECOND
const double VOLT = WATT / AMPERE
const double KELVIN = k_boltzmann * JOULE
const double KILO = 1e3
const double NANO = 1e-9
const double FEMTO = 1e-15
const double NM = NANO * METRE
const double GRAM = KG / KILO
const double GRAM_PER_MOL = GRAM / MOL
const double G_PER_MOL = GRAM_PER_MOL
const double KJ_PER_MOL = KILO * JOULE / MOL
const double KJ = KILO * JOULE
const double FS = FEMTO * SECOND
const double ANGSTROM = 1e-10 * METRE
const double ANGSTROM2 = ANGSTROM * ANGSTROM
const double ANGSTROM3 = ANGSTROM * ANGSTROM * ANGSTROM
const double ECHARGE = e_charge * COULOMB
const double EV = ECHARGE * VOLT
const double CALORY = calory * JOULE
const double KCAL_PER_MOL = KILO * CALORY / MOL
const double BOHR = 5.291772108e-11 * METRE
const double HARTREE = 4.35974417e-18 * JOULE
const double ERGS = 1e-7 * JOULE
const double ONE_OVER_4_PI_EPSILON0

Detailed Description

Physical constants and unit conversion.

Variable Documentation

◆ ACCELERATION

const char forcefields::unit_system::ACCELERATION = "A fs^-2"

Definition at line 207 of file tip4p_unit_system.hpp.

◆ AMPERE

const double forcefields::unit_system::AMPERE = 1e-15 / e_charge

Definition at line 219 of file tip4p_unit_system.hpp.

◆ ANGSTROM

const double forcefields::unit_system::ANGSTROM = 1e-10 * METRE

Definition at line 265 of file tip4p_unit_system.hpp.

◆ ANGSTROM2

const double forcefields::unit_system::ANGSTROM2 = ANGSTROM * ANGSTROM

Definition at line 266 of file tip4p_unit_system.hpp.

◆ ANGSTROM3

const double forcefields::unit_system::ANGSTROM3 = ANGSTROM * ANGSTROM * ANGSTROM

Definition at line 267 of file tip4p_unit_system.hpp.

◆ BOHR

const double forcefields::unit_system::BOHR = 5.291772108e-11 * METRE

Definition at line 274 of file tip4p_unit_system.hpp.

◆ CALORY

const double forcefields::unit_system::CALORY = calory * JOULE

Definition at line 271 of file tip4p_unit_system.hpp.

◆ calory

const double forcefields::unit_system::calory = 4.1868

Definition at line 111 of file tip4p_unit_system.hpp.

◆ CHARGE

const char forcefields::unit_system::CHARGE = "(eV A)^(-1/2)"

Definition at line 211 of file tip4p_unit_system.hpp.

◆ COULOMB

const double forcefields::unit_system::COULOMB = AMPERE * SECOND

Definition at line 248 of file tip4p_unit_system.hpp.

◆ CURRENT

const char forcefields::unit_system::CURRENT = "e/fs"

Definition at line 205 of file tip4p_unit_system.hpp.

◆ debye

const double forcefields::unit_system::debye
Initial value:
=
3.33564e-30

Definition at line 113 of file tip4p_unit_system.hpp.

◆ DEGREE

const double forcefields::unit_system::DEGREE = pi / 180

Definition at line 125 of file tip4p_unit_system.hpp.

◆ e_charge

const double forcefields::unit_system::e_charge = 1.60217653e-19

Definition at line 112 of file tip4p_unit_system.hpp.

◆ ECHARGE

const double forcefields::unit_system::ECHARGE = e_charge * COULOMB

Definition at line 268 of file tip4p_unit_system.hpp.

◆ ENERGY

const char forcefields::unit_system::ENERGY = "eV"

Definition at line 209 of file tip4p_unit_system.hpp.

◆ ERGS

const double forcefields::unit_system::ERGS = 1e-7 * JOULE

Definition at line 277 of file tip4p_unit_system.hpp.

◆ EV

const double forcefields::unit_system::EV = ECHARGE * VOLT

Definition at line 269 of file tip4p_unit_system.hpp.

◆ FEMTO

const double forcefields::unit_system::FEMTO = 1e-15

Definition at line 255 of file tip4p_unit_system.hpp.

◆ FORCE

const char forcefields::unit_system::FORCE = "eV/A"

Definition at line 208 of file tip4p_unit_system.hpp.

◆ FS

const double forcefields::unit_system::FS = FEMTO * SECOND

Definition at line 263 of file tip4p_unit_system.hpp.

◆ G_PER_MOL

const double forcefields::unit_system::G_PER_MOL = GRAM_PER_MOL

Definition at line 260 of file tip4p_unit_system.hpp.

◆ GRAM

const double forcefields::unit_system::GRAM = KG / KILO

Definition at line 258 of file tip4p_unit_system.hpp.

◆ GRAM_PER_MOL

const double forcefields::unit_system::GRAM_PER_MOL = GRAM / MOL

Definition at line 259 of file tip4p_unit_system.hpp.

◆ HARTREE

const double forcefields::unit_system::HARTREE = 4.35974417e-18 * JOULE

Definition at line 275 of file tip4p_unit_system.hpp.

◆ JOULE

const double forcefields::unit_system::JOULE = NEWTON * METRE

Definition at line 247 of file tip4p_unit_system.hpp.

◆ k_boltzmann

const double forcefields::unit_system::k_boltzmann = 1.3806505e-23

Definition at line 109 of file tip4p_unit_system.hpp.

◆ KCAL_PER_MOL

const double forcefields::unit_system::KCAL_PER_MOL = KILO * CALORY / MOL

Definition at line 272 of file tip4p_unit_system.hpp.

◆ KELVIN

const double forcefields::unit_system::KELVIN = k_boltzmann * JOULE

Definition at line 251 of file tip4p_unit_system.hpp.

◆ KG

const double forcefields::unit_system::KG = 1e10 / e_charge

Definition at line 217 of file tip4p_unit_system.hpp.

◆ KILO

const double forcefields::unit_system::KILO = 1e3

Definition at line 253 of file tip4p_unit_system.hpp.

◆ KJ

const double forcefields::unit_system::KJ = KILO * JOULE

Definition at line 262 of file tip4p_unit_system.hpp.

◆ KJ_PER_MOL

const double forcefields::unit_system::KJ_PER_MOL = KILO * JOULE / MOL

Definition at line 261 of file tip4p_unit_system.hpp.

◆ LENGTH

const char forcefields::unit_system::LENGTH = "A"

Definition at line 202 of file tip4p_unit_system.hpp.

◆ MASS

const char forcefields::unit_system::MASS = "eV A^-2 fs^2"

Definition at line 204 of file tip4p_unit_system.hpp.

◆ METRE

const double forcefields::unit_system::METRE = 1e10

Definition at line 214 of file tip4p_unit_system.hpp.

◆ METRE_PER_SECOND

const double forcefields::unit_system::METRE_PER_SECOND = METRE / SECOND

Definition at line 244 of file tip4p_unit_system.hpp.

◆ METRE_PER_SECOND2

const double forcefields::unit_system::METRE_PER_SECOND2 = METRE_PER_SECOND / SECOND

Definition at line 245 of file tip4p_unit_system.hpp.

◆ MOL

const double forcefields::unit_system::MOL = Na_avogadro

Definition at line 124 of file tip4p_unit_system.hpp.

◆ Na_avogadro

const double forcefields::unit_system::Na_avogadro = 6.0221415e23

Definition at line 110 of file tip4p_unit_system.hpp.

◆ NANO

const double forcefields::unit_system::NANO = 1e-9

Definition at line 254 of file tip4p_unit_system.hpp.

◆ NEWTON

const double forcefields::unit_system::NEWTON = KG * METRE_PER_SECOND2

Definition at line 246 of file tip4p_unit_system.hpp.

◆ NM

const double forcefields::unit_system::NM = NANO * METRE

Definition at line 257 of file tip4p_unit_system.hpp.

◆ ONE_OVER_4_PI_EPSILON0

const double forcefields::unit_system::ONE_OVER_4_PI_EPSILON0
Initial value:
=
one_over_4_pi_epsilon0 * METRE * JOULE / COULOMB / COULOMB
forcefields::unit_system::COULOMB
const double COULOMB
Definition tip4p_unit_system.hpp:248
forcefields::unit_system::METRE
const double METRE
Definition tip4p_unit_system.hpp:214
forcefields::unit_system::one_over_4_pi_epsilon0
const double one_over_4_pi_epsilon0
This is the quantity 1/(4*pi*epsilon0) in SI units.
Definition tip4p_unit_system.hpp:116
forcefields::unit_system::JOULE
const double JOULE
Definition tip4p_unit_system.hpp:247

Definition at line 279 of file tip4p_unit_system.hpp.

◆ one_over_4_pi_epsilon0

const double forcefields::unit_system::one_over_4_pi_epsilon0
Initial value:
=
8.98755178495272255e+09

This is the quantity 1/(4*pi*epsilon0) in SI units.

Definition at line 116 of file tip4p_unit_system.hpp.

◆ pi

const double forcefields::unit_system::pi = 3.14159265358979312

Definition at line 123 of file tip4p_unit_system.hpp.

◆ PRESSURE

const char forcefields::unit_system::PRESSURE = "eV A^-3"

Definition at line 210 of file tip4p_unit_system.hpp.

◆ R_gas

const double forcefields::unit_system::R_gas = 8.314472

Definition at line 108 of file tip4p_unit_system.hpp.

◆ SECOND

const double forcefields::unit_system::SECOND = 1e15

Definition at line 218 of file tip4p_unit_system.hpp.

◆ sqrt_one_over_4_pi_epsilon0

const double forcefields::unit_system::sqrt_one_over_4_pi_epsilon0 = 9.48026992492973368e+04

This is the quantity 1/sqrt(4*pi*epsilon0) in SI units.

Definition at line 120 of file tip4p_unit_system.hpp.

◆ TEMPERATURE

const char *const forcefields::unit_system::TEMPERATURE = ENERGY

Definition at line 242 of file tip4p_unit_system.hpp.

◆ TIME

const char forcefields::unit_system::TIME = "fs"

Definition at line 203 of file tip4p_unit_system.hpp.

◆ VELOCITY

const char forcefields::unit_system::VELOCITY = "A fs^-1"

Definition at line 206 of file tip4p_unit_system.hpp.

◆ VOLT

const double forcefields::unit_system::VOLT = WATT / AMPERE

Definition at line 250 of file tip4p_unit_system.hpp.

◆ WATT

const double forcefields::unit_system::WATT = JOULE / SECOND

Definition at line 249 of file tip4p_unit_system.hpp.