From 340b89b75467a5da3ea8c5f5a0922a85bfde3fb2 Mon Sep 17 00:00:00 2001 From: Yann Garniron Date: Fri, 1 Apr 2016 14:29:06 +0200 Subject: [PATCH] removed test leftover in mrsc2 --- plugins/mrcepa0/dressing.irp.f | 7 ------- 1 file changed, 7 deletions(-) diff --git a/plugins/mrcepa0/dressing.irp.f b/plugins/mrcepa0/dressing.irp.f index 4014e789..44c8ea0e 100644 --- a/plugins/mrcepa0/dressing.irp.f +++ b/plugins/mrcepa0/dressing.irp.f @@ -468,7 +468,6 @@ END_PROVIDER call i_h_j(psi_ref(1,1,II), det_tmp, N_int, HIl) do k=1,N_det_non_ref -! if(lambda_mrcc(i_state, k) == 0d0) cycle if(lambda_mrcc(i_state, k) == 0d0) cycle call get_excitation(psi_ref(1,1,II),psi_non_ref(1,1,k),exc_Ik,degree2,phase_Ik,N_int) @@ -589,7 +588,6 @@ implicit none det_tmp(1,2) = iand(xor(HF_bitmask(1,2), psi_non_ref(1,2,i)), not(active_sorb(2))) ok = ok .and. (popcnt(det_tmp(1,1)) + popcnt(det_tmp(1,2)) == popcnt(xor(det_tmp(1,1), det_tmp(1,2)))) if(.not. ok) cycle - !if(ok) cycle @@ -619,11 +617,6 @@ implicit none dkI(i_state) = HkI * lambda_mrcc(i_state, k) * phase_Jl * phase_Ik - !!!! - call get_excitation(psi_ref(1,1,J),psi_non_ref(1,1,k),exc_Ik,degree,phase_Ik,N_int) - if(degree /= 2 .and. degree /= 0) cycle - !!!!!! - !$OMP CRITICAL contrib = dkI(i_state) * delta_JI delta_ij_old(i_I,l,i_state) += contrib