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reversed order of is_in_wavefunction and is_connected_to
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@ -51,13 +51,15 @@ subroutine perturb_buffer_$PERT(i_generator,buffer,buffer_size,e_2_pert_buffer,c
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do i=1,buffer_size
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do i=1,buffer_size
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if (is_in_wavefunction(buffer(1,1,i),Nint)) then
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cycle
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endif
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if(is_connected_to(buffer(1,1,i), miniList_gen, Nint, N_minilist_gen)) then
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if(is_connected_to(buffer(1,1,i), miniList_gen, Nint, N_minilist_gen)) then
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cycle
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cycle
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end if
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end if
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if (is_in_wavefunction(buffer(1,1,i),Nint)) then
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cycle
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endif
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call pt2_$PERT(psi_det_generators(1,1,i_generator),buffer(1,1,i), fock_diag_tmp, &
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call pt2_$PERT(psi_det_generators(1,1,i_generator),buffer(1,1,i), fock_diag_tmp, &
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c_pert,e_2_pert,H_pert_diag,Nint,N_minilist,n_st,minilist,idx_minilist,N_minilist)
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c_pert,e_2_pert,H_pert_diag,Nint,N_minilist,n_st,minilist,idx_minilist,N_minilist)
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