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Set zeros in CIS wave functions
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@ -79,6 +79,6 @@ subroutine run
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call ezfio_set_cis_energy(CI_energy)
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psi_coef = ci_eigenvectors
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SOFT_TOUCH psi_coef
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call save_wavefunction
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call save_wavefunction_truncated(1.d-12)
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end
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@ -459,10 +459,12 @@ subroutine save_wavefunction_truncated(thr)
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! Save the wave function into the |EZFIO| file
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END_DOC
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integer :: N_det_save,i
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call nullify_small_elements(N_det,N_states,psi_coef,size(psi_coef,1),thr)
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TOUCH psi_coef
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N_det_save = N_det
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do i=1,N_det
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if (psi_average_norm_contrib_sorted(i) < thr) then
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N_det_save = i
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N_det_save = i-1
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exit
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endif
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enddo
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