subroutine surface(v,rij) USE PES_Module implicit none character(LEN=25) potname real*8 v, rij dimension rij(3) external lifhb !----------------------------------------------------------------------- ! The character string potname must contain a string that uniquely ! specifies the potential energy surface to be used. !----------------------------------------------------------------------- data potname/'LiFH_B BondOrder PES'/ !----------------------------------------------------------------------- ! Check for correct potential energy surface specification. !----------------------------------------------------------------------- if(pes_name.ne.potname)then 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' write(6,304)' Name read in from input data: ',pes_name write(6,304)' Name of the potential energy surface routine: ', > potname 304 format(1x,a20) stop 'surface' end if !----------------------------------------------------------------------- ! This call to surfac supplies the potential energy surface ! for the particular system of interest. !----------------------------------------------------------------------- call lifhb(v,rij) return end