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i_h_j_single_spin_complex
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@ -2761,11 +2761,6 @@ end
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subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij)
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subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij)
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!todo: modify/implement for complex
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if (is_complex) then
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print*,irp_here,' not implemented for complex'
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stop -1
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endif
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use bitmasks
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use bitmasks
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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@ -2774,12 +2769,12 @@ subroutine i_H_j_single_spin_complex(key_i,key_j,Nint,spin,hij)
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END_DOC
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END_DOC
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integer, intent(in) :: Nint, spin
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integer, intent(in) :: Nint, spin
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integer(bit_kind), intent(in) :: key_i(Nint,2), key_j(Nint,2)
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integer(bit_kind), intent(in) :: key_i(Nint,2), key_j(Nint,2)
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double precision, intent(out) :: hij
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complex*16, intent(out) :: hij
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integer :: exc(0:2,2)
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integer :: exc(0:2,2)
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double precision :: phase
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double precision :: phase
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PROVIDE big_array_exchange_integrals mo_two_e_integrals_in_map
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PROVIDE big_array_exchange_integrals_complex mo_two_e_integrals_in_map
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call get_single_excitation_spin(key_i(1,spin),key_j(1,spin),exc,phase,Nint)
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call get_single_excitation_spin(key_i(1,spin),key_j(1,spin),exc,phase,Nint)
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call get_single_excitation_from_fock(key_i,key_j,exc(1,1),exc(1,2),spin,phase,hij)
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call get_single_excitation_from_fock(key_i,key_j,exc(1,1),exc(1,2),spin,phase,hij)
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