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qp2/src/tools/print_energy.irp.f

19 lines
416 B
Fortran

program print_energy
implicit none
BEGIN_DOC
! Prints the energy of the wave function stored in the |EZFIO| directory.
END_DOC
! this has to be done in order to be sure that N_det, psi_det and
! psi_coef_sorted are the wave function stored in the |EZFIO| directory.
read_wf = .True.
touch read_wf
PROVIDE N_states
call run
end
subroutine run
implicit none
print *, psi_energy + nuclear_repulsion
end