From 782abd92b19c4b7ef1df98422a2bb367a832e879 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 18 Feb 2016 11:17:33 +0100 Subject: [PATCH] PT2(k), CI_energy(k) in full_ci.irp.f --- plugins/Full_CI/full_ci.irp.f | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/plugins/Full_CI/full_ci.irp.f b/plugins/Full_CI/full_ci.irp.f index 56bf96d9..33966743 100644 --- a/plugins/Full_CI/full_ci.irp.f +++ b/plugins/Full_CI/full_ci.irp.f @@ -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