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qp_plugins_scemama/devel/cc/spatial_to_spin_MO_energy.irp.f

14 lines
289 B
Fortran

BEGIN_PROVIDER [ double precision, spin_fock_matrix_diag_mo, (spin_mo_num) ]
implicit none
BEGIN_DOC
! Diagonal of the Fock matrix in the spin-orbital basis
END_DOC
integer :: p
do p=1,spin_mo_num
spin_fock_matrix_diag_mo(p) = fock_matrix_diag_mo((p+1)/2)
enddo
END_PROVIDER