quantum-espresso/Modules/atom.f90

28 lines
914 B
Fortran

!
! Copyright (C) 2004-2007 Quantum-Espresso group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!--------------------------------------------------------------------------
!
MODULE atom
!
! ... The variables needed to describe the atoms and related quantities
!
USE kinds, ONLY : DP
USE parameters, ONLY : npsx
USE radial_grids, ONLY : radial_grid_type
!
SAVE
!
type(radial_grid_type),target :: &
rgrid(npsx) ! the information on atomic radial grids.
! NB: some of the subsequent data are therefore redundant
! and will be eliminated in due course asap
INTEGER :: &
msh(npsx) ! the point at rcut
!
END MODULE atom