subroutine ne2hsur(r,vt) c generates pairwise additive potential for Ne2H system. c coordinates are not mass scaled. c r(1) is the distance between atoms in the diatom Ne2. c r(2) and r(3) are the Ne-H distances. c Hartree atomic units on everything. implicit none character*8 procname parameter (procname='ne2sur ') real*8 r, vt, vneh, vnene c ------1---------2---------3---------4---------5---------6---------7-- external vneh, vnene dimension r(3) save c c *******calculate potential. vt = vnene(r(1)) + vneh(r(2)) + vneh(r(3)) c the following is a special case that turns off the neh interactions. c vt = vnene(r(1)) c the following special case turns off the nene interaction and one of the vneh. c vt = vneh(r(3)) c the following special case turns off the nene interaction. c vt = vneh(r(2)) + vneh(r(3)) c the following is a special case that turns off all interactions. c vt = 0.d0 c return end