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Revert to default diagonalization method.

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v1j4y 2022-12-19 14:05:45 +01:00
parent 16913557ca
commit 4b52bc4a51
1 changed files with 2 additions and 2 deletions
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4
src/davidson/diagonalize_ci.irp.f
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@ -5,8 +5,8 @@ BEGIN_PROVIDER [ character*(3), sigma_vector_algorithm ]
! !
! If 'cfg', use <Psi_csf|H|Psi_csf> in Davidson ! If 'cfg', use <Psi_csf|H|Psi_csf> in Davidson
END_DOC END_DOC
!sigma_vector_algorithm = 'det' sigma_vector_algorithm = 'det'
sigma_vector_algorithm = 'cfg' !sigma_vector_algorithm = 'cfg'
END_PROVIDER END_PROVIDER
BEGIN_PROVIDER [ double precision, CI_energy, (N_states_diag) ] BEGIN_PROVIDER [ double precision, CI_energy, (N_states_diag) ]