energy.F90

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!! Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
!! Copyright (C) 2012 M. Oliveira
!!
!! This program is free software; you can redistribute it and/or modify
!! it under the terms of the GNU General Public License as published by
!! the Free Software Foundation; either version 2, or (at your option)
!! any later version.
!!
!! This program is distributed in the hope that it will be useful,
!! but WITHOUT ANY WARRANTY; without even the implied warranty of
!! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
!! GNU General Public License for more details.
!!
!! You should have received a copy of the GNU General Public License
!! along with this program; if not, write to the Free Software
!! Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
!! 02110-1301, USA.
!!
 
#include "global.h"
 
module energy_oct_m
  use debug_oct_m
  use global_oct_m
 
  implicit none
 
  private
 
  public ::         &
    energy_t,       &
    energy_copy
 
  type energy_t
    ! Components are public by default
    ! Energies
    real(real64) :: total            = m_zero 
    real(real64) :: eigenvalues      = m_zero 
    real(real64) :: exchange         = m_zero
    real(real64) :: exchange_hf      = m_zero 
    real(real64) :: correlation      = m_zero
    real(real64) :: vdw              = m_zero
    real(real64) :: xc_j             = m_zero
    real(real64) :: intnvxc          = m_zero 
    real(real64) :: hartree          = m_zero 
    real(real64) :: int_ee_pcm       = m_zero 
    real(real64) :: int_en_pcm       = m_zero 
    real(real64) :: int_ne_pcm       = m_zero 
    real(real64) :: int_nn_pcm       = m_zero 
    real(real64) :: int_e_ext_pcm    = m_zero 
    real(real64) :: int_n_ext_pcm    = m_zero 
    real(real64) :: pcm_corr         = m_zero 
    real(real64) :: kinetic          = m_zero 
    real(real64) :: extern           = m_zero 
    real(real64) :: extern_local     = m_zero 
    real(real64) :: extern_non_local = m_zero 
    real(real64) :: entropy          = m_zero
    real(real64) :: ts               = m_zero 
    real(real64) :: berry            = m_zero 
    real(real64) :: delta_xc         = m_zero 
    real(real64) :: dft_u            = m_zero 
    real(real64) :: int_dft_u        = m_zero 
    real(real64) :: intnvstatic      = m_zero 
    real(real64) :: photon_exchange  = m_zero
  end type energy_t
 
contains
 
  subroutine energy_copy(ein, eout)
    type(energy_t), intent(in)  :: ein
    type(energy_t), intent(out) :: eout
 
    push_sub(energy_copy)
 
    eout = ein
 
    pop_sub(energy_copy)
  end subroutine energy_copy
 
end module energy_oct_m
 
!! Local Variables:
!! mode: f90
!! coding: utf-8
!! End: