mciaim

Monte Carlo integration for Atoms in Molecules properties 

mciaim is written to perform Monte Carlo integration of quantum mechanical properties for atoms predicted by QTAIM theory.  It is still early in development, and I will get back to it in the future

wfnmodule_fg.f90
public
   
subroutine initializewfn(character*70)
    function rho(real*8, dimension(3))
       returns real*8 rho
    function grho(real*8, dimension(3))
       returns real*8 grho(3)
    integer wfncalls