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Updated PT2Stoch
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@ -3,6 +3,7 @@ program pt2_stoch
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read_wf = .True.
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SOFT_TOUCH read_wf
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PROVIDE mo_bielec_integrals_in_map
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PROVIDE psi_energy
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call run
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end
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@ -19,7 +20,6 @@ subroutine run
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double precision :: E_CI_before, relative_error, absolute_error, eqt
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allocate (pt2(N_states))
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! call diagonalize_CI()
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pt2(:) = 0.d0
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E_CI_before = psi_energy(1) + nuclear_repulsion
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