anchor.diff:      enddo
     enddo
   
  +  write(*,*) ""
  +  write(*,*) "  1e Dimension    = ", dim_1e
  +  write(*,*) "  2e Dimension    = ", dim_2e
  +
   ! Number of electrons
     nel = 0
     noccA = 0
  
positive.code:   implicit none
    character(len=36)        :: filename 
    integer                  :: i,j
  
    filename = trim(mol_name) // ".xyz"
  
  
negative.code:   read(10,*) natoms
    call allocate_geo
  
    read(10,*) charge, mult, reference
  
    if(reference == "rhf")then
      calctype = "rhf"
      spins = 1
    elseif(reference == "uhf")then
      calctype = "uhf"
      spins = 2
    endif
  
    do i=1,natoms
      read(10,*) atom(i),xyz(i,1),xyz(i,2),xyz(i,3)
  