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PT2(k), CI_energy(k) in full_ci.irp.f

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This commit is contained in:
Anthony Scemama 2016-02-18 11:17:33 +01:00
parent 6b8ef16d0a
commit 782abd92b1
1 changed files with 3 additions and 3 deletions
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6
plugins/Full_CI/full_ci.irp.f
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@ -64,9 +64,9 @@ program full_ci
print *, 'N_states = ', N_states
do k = 1, N_states
print*,'State ',k
print *, 'PT2 = ', pt2
print *, 'E = ', CI_energy
print *, 'E(before)+PT2 = ', E_CI_before+pt2
print *, 'PT2 = ', pt2(k)
print *, 'E = ', CI_energy(k)
print *, 'E(before)+PT2 = ', E_CI_before(k)+pt2(k)
enddo
print *, '-----'
E_CI_before = CI_energy