ddx_definitions.f90 File Reference

Go to the source code of this file.

Modules
module	ddx_definitions
	Compile-time constants and definitions.

Variables
integer, parameter	ddx_definitions::dp = kind(1.0d0)
	Kind of double precision. More...
real(dp), parameter	ddx_definitions::zero = 0d0
real(dp), parameter	ddx_definitions::one = 1d0
real(dp), parameter	ddx_definitions::two = 2d0
real(dp), parameter	ddx_definitions::three = 3d0
real(dp), parameter	ddx_definitions::four = 4d0
real(dp), parameter	ddx_definitions::pt5 = 5d-1
real(dp), parameter	ddx_definitions::sqrt2 = sqrt(two)
real(dp), parameter	ddx_definitions::sqrt3 = sqrt(three)
real(dp), parameter	ddx_definitions::pi4 = atan(one)
real(dp), parameter	ddx_definitions::pi = four * pi4
real(dp), parameter	ddx_definitions::fourpi = four * pi
real(dp), parameter	ddx_definitions::twopi = two * pi
real(dp), parameter	ddx_definitions::sqrt4pi = four * sqrt(pi4)
real(dp), parameter	ddx_definitions::machine_eps = epsilon(zero)
real(dp), parameter	ddx_definitions::toang = 0.52917721092d0
real(dp), parameter	ddx_definitions::tokcal = 627.509469d0
real(dp), parameter	ddx_definitions::tokj = 2625.509469d0
real(dp), parameter	ddx_definitions::tobohr = one / toang
integer, parameter	ddx_definitions::nllg = 32
	Number of supported Lebedev grids. More...
integer, dimension(nllg), parameter	ddx_definitions::ng0 = (/ 6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 302, 350, 434, 590, 770, 974, 1202, 1454, 1730, 2030, 2354, 2702, 3074, 3470, 3890, 4334, 4802, 5294, 5810 /)
	Number of grid points of each Lebedev grid. More...
character(len=255), dimension(3), parameter	ddx_definitions::model_str = (/ "COSMO", "PCM ", "LPB " /)
	Names of ddX models. More...

Detailed Description

Copyright

(c) 2020-2021 RWTH Aachen. All rights reserved.

ddX software

Compile-time constants are defined here.

Version

1.0.0

Author

Aleksandr Mikhalev

Date

2021-06-15

Definition in file ddx_definitions.f90.