Chimie Théorique » Opt'n Path

SUBROUTINE Read_Geom(input)

!----------------------------------------------------------------------

!  Copyright 2003-2014 Ecole Normale Supérieure de Lyon,

!  Centre National de la Recherche Scientifique,

!  Université Claude Bernard Lyon 1. All rights reserved.

!

!  This work is registered with the Agency for the Protection of Programs

!  as IDDN.FR.001.100009.000.S.P.2014.000.30625

!

!  Authors: P. Fleurat-Lessard, P. Dayal

!  Contact: optnpath@gmail.com

!

! This file is part of "Opt'n Path".

!

!  "Opt'n Path" is free software: you can redistribute it and/or modify

!  it under the terms of the GNU Affero General Public License as

!  published by the Free Software Foundation, either version 3 of the License,

!  or (at your option) any later version.

!

!  "Opt'n Path" 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 Affero General Public License for more details.

!

!  You should have received a copy of the GNU Affero General Public License

!  along with "Opt'n Path". If not, see <http://www.gnu.org/licenses/>.

!

! Contact The Office of Technology Licensing, valorisation@ens-lyon.fr,

! for commercial licensing opportunities.

!----------------------------------------------------------------------

  Use VarTypes

  Use Path_module, only : NGeomI

  Use Io_module

  IMPLICIT NONE

  CHARACTER(32), INTENT(IN) :: input

  LOGICAL :: Debug

  INTERFACE

     function valid(string) result (isValid)

       CHARACTER(*), intent(in) :: string

       logical                  :: isValid

     END function VALID

  END INTERFACE

  debug=valid('Read_geom')

 if (debug) Call Header("Entering Read_Geom")

  if (debug) WRITE(*,*) "Input:",Trim(Input)

  if (debug) WRITE(*,*) "NgeomI:",NGeomI

  SELECT CASE(Input)

  CASE ('XYZ','CART')

     Call ReadGeom_cart

  CASE ('TURBOMOLE')

     Call ReadGeom_turbomole

  CASE ('VASP')

     Call ReadGeom_vasp

  CASE ('SIESTA')

     Call ReadGeom_siesta

  CASE Default

     WRITe(*,*) 'Input=',trim(Input),' UNKNOWN. Stop'

     STOP

  END SELECT

 if (debug) Call Header("Exiting Read_Geom")

END SUBROUTINE Read_Geom