gjp_constants.f90
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1 ! BEGIN_HEADER
2 ! -----------------------------------------------------------------------------
3 ! Gauss-Jacobi Quadrature Implementation
4 ! Authors: Rohit Goswami <rgoswami[at]ieee.org>
5 ! Source: GaussJacobiQuad Library
6 ! License: MIT
7 ! GitHub Repository: https://github.com/HaoZeke/GaussJacobiQuad
8 ! Date: 2023-08-28
9 ! Commit: c442f77
10 ! -----------------------------------------------------------------------------
11 ! This code is part of the GaussJacobiQuad library, providing an efficient
12 ! implementation for Gauss-Jacobi quadrature nodes and weights computation.
13 ! -----------------------------------------------------------------------------
14 ! To cite this software:
15 ! Rohit Goswami (2023). HaoZeke/GaussJacobiQuad: v0.1.0.
16 ! Zenodo: https://doi.org/10.5281/ZENODO.8285112
17 ! ---------------------------------------------------------------------
18 ! END_HEADER
28 
30 use gjp_types, only: dp
31 implicit none
32 private
34 
35 real(dp), parameter :: pi = 3.1415926535897932384626433832795_dp
36 real(dp), parameter :: e_ = 2.7182818284590452353602874713527_dp
37 complex(dp), parameter :: i_ = (0, 1)
38 
39 real(dp), parameter :: ha2ev_2010 = 27.21138505_dp ! 1 Ha = (1 * Ha2eV) eV
40 ! Standard uncertainty: 0.000000000053 eV (Source: 2010 CODATA)
41 
42 ! speed of light in atomic units --> inverse fine-structure constant
43 real(dp), parameter :: c_2010 = 137.035999074_dp
44 real(dp), parameter :: c_2006 = 137.035999679_dp
45 real(dp), parameter :: c_2002 = 137.03599911_dp
46 real(dp), parameter :: c_1998 = 137.03599976_dp
47 real(dp), parameter :: c_1986 = 137.0359895_dp ! To compare with dftatom
48 end module gjp_constants
Constants contain more digits than double precision, so that they are rounded correctly.
real(dp), parameter, public c_1998
real(dp), parameter, public c_1986
real(dp), parameter c_2002
real(dp), parameter, public e_
real(dp), parameter, public ha2ev_2010
real(dp), parameter, public c_2010
real(dp), parameter, public pi
complex(dp), parameter, public i_
real(dp), parameter, public c_2006
Module for defining types and precision levels for Gauss-Jacobi Polynomial (GJP) calculations.
Definition: gjp_types.f90:33
integer, parameter, public dp
Define various kinds for real numbers.
Definition: gjp_types.f90:39