realspace_cutoff Derived Type

type, public :: realspace_cutoff
sequence

Collection of real space cutoffs


Components

Type Visibility Attributes Name Initial
real(kind=wp), public :: cn = cn_default

Coordination number cutoff
real(kind=wp), public :: disp2 = disp2_default

Two-body interaction cutoff
real(kind=wp), public :: disp3 = disp3_default

Three-body interaction cutoff
real(kind=wp), public :: width2 = 0.0_wp

Width of smooth two-body interaction cutoff
real(kind=wp), public :: width3 = 0.0_wp

Width of smooth three-body interaction cutoff

Source Code

   type :: realspace_cutoff
      sequence

      !> Coordination number cutoff
      real(wp) :: cn = cn_default

      !> Two-body interaction cutoff
      real(wp) :: disp2 = disp2_default

      !> Three-body interaction cutoff
      real(wp) :: disp3 = disp3_default

      !> Width of smooth two-body interaction cutoff
      real(wp) :: width2 = 0.0_wp

      !> Width of smooth three-body interaction cutoff
      real(wp) :: width3 = 0.0_wp

   end type realspace_cutoff