dftd_results Derived Type

type, public :: dftd_results


Components

Type Visibility Attributes Name Initial
real(kind=wp), public, allocatable :: energy
real(kind=wp), public, allocatable :: gradient(:,:)
real(kind=wp), public, allocatable :: lattice_gradient(:,:)

Source Code

   type :: dftd_results
      real(wp), allocatable :: energy
      real(wp), allocatable :: gradient(:, :)
      real(wp), allocatable :: lattice_gradient(:, :)
   end type dftd_results