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QuantumPackage/src/casscf/get_energy.irp.f

17 lines
349 B
Fortran

program print_2rdm
implicit none
BEGIN_DOC
! get the active part of the bielectronic energy on a given wave function.
!
! useful to test the active part of the spin trace 2 rdms
END_DOC
no_vvvv_integrals = .True.
read_wf = .True.
touch read_wf no_vvvv_integrals
call routine
end
subroutine routine
print *, psi_energy_with_nucl_rep
end