states_elec_dim.F90

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!! Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
!!
!! 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 states_elec_dim_oct_m
  use debug_oct_m
  use distributed_oct_m
  use electron_space_oct_m
  use global_oct_m
  use kpoints_oct_m
  use math_oct_m
  use messages_oct_m
  use multicomm_oct_m
  use namespace_oct_m
  use profiling_oct_m
 
  implicit none
 
  private
 
  public ::                           &
    states_elec_dim_t,                &
    states_elec_dim_copy,             &
    states_elec_dim_end,              &
    is_spin_down,                     &
    is_spin_up
 
  integer, public, parameter :: &
    SPIN_DOWN = 1,              &
    spin_up   = 2
 
  ! TODO(Alex) Issue #672. Remove kpts indices and weights from states_elec_dim_t
  type states_elec_dim_t
    ! Components are public by default
    integer :: dim
    integer :: ispin
    integer :: nspin
    integer :: spin_channels
    type(distributed_t) :: kpt
 
  contains
    procedure :: get_spin_index => states_elec_dim_get_spin_index
    procedure :: get_kpoint_index => states_elec_dim_get_kpoint_index
  end type states_elec_dim_t
 
contains
 
  ! ---------------------------------------------------------
  subroutine states_elec_dim_copy(dout, din)
    type(states_elec_dim_t), intent(inout) :: dout
    type(states_elec_dim_t), intent(in)    :: din
 
    push_sub(states_elec_dim_copy)
 
    call states_elec_dim_end(dout)
 
    dout%dim            = din%dim
    dout%ispin          = din%ispin
    dout%nspin          = din%nspin
    dout%spin_channels  = din%spin_channels
 
 
    call distributed_copy(din%kpt, dout%kpt)
 
    pop_sub(states_elec_dim_copy)
  end subroutine states_elec_dim_copy
 
 
  ! ---------------------------------------------------------
  subroutine states_elec_dim_end(dim)
    type(states_elec_dim_t), intent(inout) :: dim
 
    push_sub(states_elec_dim_end)
 
    call distributed_end(dim%kpt)
 
 
    pop_sub(states_elec_dim_end)
  end subroutine states_elec_dim_end
 
 
  ! ---------------------------------------------------------
  !
  logical pure function is_spin_up(ik)
    integer, intent(in) :: ik
 
    is_spin_up = odd(ik)
 
  end function is_spin_up
 
 
  ! ---------------------------------------------------------
  !
  logical pure function is_spin_down(ik)
    integer, intent(in) :: ik
 
    is_spin_down = even(ik)
 
  end function is_spin_down
 
  ! ---------------------------------------------------------
  !
  integer pure function states_elec_dim_get_spin_index(this, iq) result(index)
    class(states_elec_dim_t), intent(in) :: this
    integer,                  intent(in) :: iq
 
    if (this%ispin == spin_polarized) then
      index = 1 + mod(iq - 1, 2)
    else
      index = 1
    end if
 
  end function states_elec_dim_get_spin_index
 
 
  ! ---------------------------------------------------------
  !
  integer pure function states_elec_dim_get_kpoint_index(this, iq) result(index)
    class(states_elec_dim_t), intent(in) :: this
    integer,                  intent(in) :: iq
 
    if (this%ispin == spin_polarized) then
      index = 1 + (iq - 1)/2
    else
      index = iq
    end if
 
  end function states_elec_dim_get_kpoint_index
 
 
 
 
end module states_elec_dim_oct_m
 
 
!! Local Variables:
!! mode: f90
!! coding: utf-8
!! End: