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reversed order of is_in_wavefunction and is_connected_to

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This commit is contained in:
Yann Garniron 2015-12-18 14:39:44 +01:00
parent 9c61d72fe8
commit fa8c502cf6
1 changed files with 5 additions and 3 deletions
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8
plugins/Perturbation/perturbation.template.f
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@ -51,13 +51,15 @@ subroutine perturb_buffer_$PERT(i_generator,buffer,buffer_size,e_2_pert_buffer,c
do i=1,buffer_size
if (is_in_wavefunction(buffer(1,1,i),Nint)) then
cycle
endif
if(is_connected_to(buffer(1,1,i), miniList_gen, Nint, N_minilist_gen)) then
cycle
end if
if (is_in_wavefunction(buffer(1,1,i),Nint)) then
cycle
endif
call pt2_$PERT(psi_det_generators(1,1,i_generator),buffer(1,1,i), fock_diag_tmp, &
c_pert,e_2_pert,H_pert_diag,Nint,N_minilist,n_st,minilist,idx_minilist,N_minilist)