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Removed normalization of psi_ref in lambda_MRCC

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This commit is contained in:
Anthony Scemama 2016-04-07 10:55:21 +02:00
parent 4dda44e324
commit 3298edad85
1 changed files with 1 additions and 1 deletions
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2
plugins/MRCC_Utils/mrcc_utils.irp.f
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@ -16,7 +16,7 @@
lambda_mrcc_pt2(0) = 0 lambda_mrcc_pt2(0) = 0
do i=1,N_det_non_ref do i=1,N_det_non_ref
call i_h_psi(psi_non_ref(1,1,i), psi_ref, psi_ref_coef_normalized, N_int, N_det_ref,& call i_h_psi(psi_non_ref(1,1,i), psi_ref, psi_ref_coef, N_int, N_det_ref,&
size(psi_ref_coef,1), N_states,ihpsi_current) size(psi_ref_coef,1), N_states,ihpsi_current)
call i_H_j(psi_non_ref(1,1,i),psi_non_ref(1,1,i),N_int,hii) call i_H_j(psi_non_ref(1,1,i),psi_non_ref(1,1,i),N_int,hii)
do k=1,N_states do k=1,N_states