SUBROUTINE Ne2hsur(r,vt) USE Numeric_Kinds_Module ! generates pairwise additive potential for Ne2H system. ! coordinates are not mass scaled. ! r(1) is the distance between atoms in the diatom Ne2. ! r(2) and r(3) are the Ne-H distances. ! Hartree atomic units on everything. IMPLICIT NONE CHARACTER(LEN=21), PARAMETER:: ProcName='ne2hsur ' REAL(Kind=WP_Kind) r, vt, vneh, vnene ! ------1---------2---------3---------4---------5---------6---------7-- EXTERNAL vneh, vnene DIMENSION r(3) SAVE ! ! *******calculate potential. vt = vnene(r(1)) + vneh(r(2)) + vneh(r(3)) ! the following is a special case that turns off the neh interactions. ! vt = vnene(r(1)) ! the following special case turns off the nene interaction. ! vt = vneh(r(2)) + vneh(r(3)) ! the following is a special case that turns off all interactions. ! vt = 0.d0 ! RETURN ENDSUBROUTINE Ne2hsur