*dk surface subroutine surface(v,rij) use pes_module c $RCSfile: surface.f,v $ $Revision: 1.4 $ c $Date: 89/08/04 14:22:14 $ c $State: Stable $ c c----------------------------------------------------------------------- c This routine supplies the potential energy surface for the c reactive scattering codes. c c On entering: The array rij contains the internuclear distances c in units of bohr (NOT mass scaled). c c The common /pes/ must contain a character string c of length 20 that properly describes the potential. c c On Exit: The variable v is the value of the potential energy c surface in Hartree atomic units. c c c----------------------------------------------------------------------- implicit real*8 (a-h,o-z) dimension rij(3) character(len=25) potname data potname/'HNe2'/ c----------------------------------------------------------------------- c Check for correct potential energy surface specification. c----------------------------------------------------------------------- if(pesname.ne.potname)then write(*,*)'pesname = ',pesname write(*,*)'potname = ',potname write(6,*)'The potential energy surface name does not match', > ' the name in the potential energy surface routine.' write(6,*)'***error***: Execution stopped in routine surface' call flush(6) stop 'potname' end if c----------------------------------------------------------------------- c This call to surfac supplies the potential energy surface c for the particular system of interest. c----------------------------------------------------------------------- call ne2hsur(rij,v) return end