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qp_plugins_scemama/devel/cc/amplitude_guess.irp.f

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2019-09-09 16:51:15 +02:00
BEGIN_PROVIDER [ double precision, t1_guess, (spin_occ_num,spin_vir_num) ]
implicit none
BEGIN_DOC
! Guess amplitudes for single excitations
END_DOC
t1_guess(:,:) = 0d0
END_PROVIDER
BEGIN_PROVIDER [ double precision, t2_guess, (spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
! Guess amplitudes for double excitations
END_DOC
t2_guess(:,:,:,:) = -OOVV(:,:,:,:)/delta_OOVV(:,:,:,:)
END_PROVIDER