! Example: Be atom, mos from qmcmol standard
!-------------------------------------------

! geometry
!---------
nuclei
 atom name = be symbol = Be charge =  4 coordinates=(0.0, 0.0, 0.0) end_ato
end_nuc

! electrons
!----------

elec
  alfa_electrons = 2
  beta_electrons = 2
end_ele


! basis and molecular orbitals from  qmcmol standard
!--------------------------------------------------
file name=be-TZV-qmcmol.bas status=old action=read program=qmcmol type=epfs end_fil
file name=be-TZV-qmcmol.mos status=old action=read program=qmcmol type=mos  end_fil

!  where to read or write the walkers 
!------------------------------------
file name=be-TZV-qmcmol.wlk-in type = walkers status = old action=read end_file
file name=be-TZV-qmcmol.wlk-out type = walkers status = unknown action=write end_file


! Wavefunction: 1 determinant RHF
!-------------------------------

wavefunction

  configuration    ! # 1
    name = CONF_1
    weight    = 1.0
    jastrow = none

    determinant
      alfa_orbitals = (1, 2)
      beta_orbitals = (1, 2)
      weight  = 1.0
    end_det
  end_configuration

end_wavefunction


! number of walkers
!------------------
walkers number=1  end_walk

! prints some test values 
!------------------------
objects list=(mos_to_xpfs_c, mos_bywlk, det_alfa_bywlk, det_beta_bywlk,e_loc_kin_bywlk,e_loc_tot_bywlk) action=val end_obj

stop