!------------------------------------------------------------------- ! function : vli3_fit ! ! package : Li3 Potential ! ! Language : Fortran 77 ! ! author : F. Colavecchia (flavioc@lanl.gov) ! ! date : 05/12/02 ! revision : ! ! purpose : Compute the three body part of the Li3 potential ! via extrapolation ! ! input : r -> (dim=3) interatomic distances in bohr. ! ! output : vli3_fit -> li3 fit potential in a.u. ! !------------------------------------------------------------------- real*8 function vli3_fit(r) implicit none integer i integer r2s real*8 r(3) real*8 v,s1,s2,s3 vli3_fit = 0d0 ! ! get the s1,s2,s3 ! i = r2s(r(1),r(2),r(3),s1,s2,s3,.true.) call extrapolate(s1,s2,s3,v) 100 format(7f11.6) vli3_fit = v return end