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PT2(k), CI_energy(k) in full_ci.irp.f
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@ -64,9 +64,9 @@ program full_ci
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print *, 'N_states = ', N_states
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do k = 1, N_states
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print*,'State ',k
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print *, 'PT2 = ', pt2
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print *, 'E = ', CI_energy
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print *, 'E(before)+PT2 = ', E_CI_before+pt2
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print *, 'PT2 = ', pt2(k)
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print *, 'E = ', CI_energy(k)
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print *, 'E(before)+PT2 = ', E_CI_before(k)+pt2(k)
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enddo
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print *, '-----'
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E_CI_before = CI_energy
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