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removed test leftover in mrsc2

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This commit is contained in:
Yann Garniron 2016-04-01 14:29:06 +02:00
parent 48cb3b3ddc
commit 340b89b754
1 changed files with 0 additions and 7 deletions
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7
plugins/mrcepa0/dressing.irp.f
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@ -468,7 +468,6 @@ END_PROVIDER
call i_h_j(psi_ref(1,1,II), det_tmp, N_int, HIl) call i_h_j(psi_ref(1,1,II), det_tmp, N_int, HIl)
do k=1,N_det_non_ref do k=1,N_det_non_ref
! if(lambda_mrcc(i_state, k) == 0d0) cycle
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) 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))) 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)))) 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(.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 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
!!!!!!
!$OMP CRITICAL !$OMP CRITICAL
contrib = dkI(i_state) * delta_JI contrib = dkI(i_state) * delta_JI
delta_ij_old(i_I,l,i_state) += contrib delta_ij_old(i_I,l,i_state) += contrib