quantum-espresso/NEB/path_to_engine_fix_atom_pos...

35 lines
858 B
Fortran

!
! Copyright (C) 2011 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 .
!
!
!----------------------------------------------------------------------------
SUBROUTINE path_to_engine_fix_atom_pos()
!-----------------------------------------------------------------------------
!
!
USE kinds, ONLY : DP
!
USE ions_base, ONLY : if_pos
USE path_variables, ONLY : fix_atom_pos
USE path_input_parameters_module, ONLY : nat
!
! ... "path" specific
!
IMPLICIT NONE
!
! set_my_if_pos
!
if(.not.allocated(if_pos)) allocate(if_pos(3,nat))
if_pos(:,:) = 1
if_pos(:,:) = fix_atom_pos(:,:)
!
!
RETURN
!
END SUBROUTINE path_to_engine_fix_atom_pos
!