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rPT2 matching instead of pt2 matching

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Anthony Scemama 2019-06-04 11:14:42 +02:00
parent 20ca64fec9
commit fedc20dc31
1 changed files with 1 additions and 1 deletions
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src/cipsi/cipsi.irp.f
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@ -65,7 +65,7 @@ subroutine run_cipsi
do while ( & do while ( &
(N_det < N_det_max) .and. & (N_det < N_det_max) .and. &
(maxval(abs(pt2(1:N_states))) > pt2_max) .and. & (maxval(abs(rpt2(1:N_states))) > pt2_max) .and. &
(correlation_energy_ratio <= correlation_energy_ratio_max) & (correlation_energy_ratio <= correlation_energy_ratio_max) &
) )
write(*,'(A)') '--------------------------------------------------------------------------------' write(*,'(A)') '--------------------------------------------------------------------------------'