Contains mathematical constants needed throughout the code, all of which are globally accessible. More...

Variables
real(real64), parameter	pi = 3.1415926535897_real64
	Pi. More...

real(real64), parameter	pi_dash = 0.5641895835_real64
	1 / sqrt(pi) - multiplication factor used by H1s_wfn More...

real(real64), parameter	pi_dash_2 = 0.0997355701_real64
	1 / (4sqrt(2pi)) - multiplication factor used by H2s_wfn More...

real(real64), parameter	hbar = 1.054571817e-34_real64
	Reduced Planck constant (J s) More...

real(real64), parameter	m_elec = 9.1093837015e-31_real64
	Electron rest mass (kg) More...

real(real64), parameter	e_chg = 1.602176634e-19_real64
	Electron charge (C) More...

real(real64), parameter	a_0 = 5.29177210903e-11_real64
	Bohr radius (m) More...

real(real64), parameter	eps_0 = 8.8541878128e-12_real64
	Vacuum permittivity (F m^-1) More...

real(real64), parameter	r2o2 = 0.7071067812_real64
	sqrt(2)/2 More...

Detailed Description

Contains mathematical constants needed throughout the code, all of which are globally accessible.

Remarks: N.B. This module was made before the solvers module was updated to work in atomic units, and as such some of these constants may be unneccessary. Needs reviewing at the end of development.

Variable Documentation

◆ pi

real(real64), parameter constants::pi = 3.1415926535897_real64

Pi.

Definition at line 24 of file shared_data.f90.

24 real(real64), parameter :: pi = 3.1415926535897_real64

◆ pi_dash

real(real64), parameter constants::pi_dash = 0.5641895835_real64

1 / sqrt(pi) - multiplication factor used by H1s_wfn

Definition at line 25 of file shared_data.f90.

25 real(real64), parameter :: pi_dash = 0.5641895835_real64

◆ pi_dash_2

real(real64), parameter constants::pi_dash_2 = 0.0997355701_real64

1 / (4*sqrt(2*pi)) - multiplication factor used by H2s_wfn

Definition at line 26 of file shared_data.f90.

26 real(real64), parameter :: pi_dash_2 = 0.0997355701_real64

◆ hbar

real(real64), parameter constants::hbar = 1.054571817e-34_real64

Reduced Planck constant (J s)

Definition at line 27 of file shared_data.f90.

27 real(real64), parameter :: hbar = 1.054571817e-34_real64

◆ m_elec

real(real64), parameter constants::m_elec = 9.1093837015e-31_real64

Electron rest mass (kg)

Definition at line 28 of file shared_data.f90.

28 real(real64), parameter :: m_elec = 9.1093837015e-31_real64

◆ e_chg

real(real64), parameter constants::e_chg = 1.602176634e-19_real64

Electron charge (C)

Definition at line 29 of file shared_data.f90.

29 real(real64), parameter :: e_chg = 1.602176634e-19_real64

◆ a_0

real(real64), parameter constants::a_0 = 5.29177210903e-11_real64

Bohr radius (m)

Definition at line 30 of file shared_data.f90.

30 real(real64), parameter :: a_0 = 5.29177210903e-11_real64

◆ eps_0

real(real64), parameter constants::eps_0 = 8.8541878128e-12_real64

Vacuum permittivity (F m^-1)

Definition at line 31 of file shared_data.f90.

31 real(real64), parameter :: eps_0 = 8.8541878128e-12_real64

◆ r2o2

real(real64), parameter constants::r2o2 = 0.7071067812_real64

sqrt(2)/2

Definition at line 32 of file shared_data.f90.

32 real(real64), parameter :: r2o2 = 0.7071067812_real64

Variables