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@ -5,10 +5,12 @@ BEGIN_PROVIDER [complex*16, mo_kinetic_integrals_complex, (mo_num,mo_num)]
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END_DOC
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integer :: i,j
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print *, 'Providing MO kinetic integrals'
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if (read_mo_integrals_kinetic) then
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call ezfio_get_mo_one_e_ints_mo_integrals_kinetic_complex(mo_kinetic_integrals_complex)
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print *, 'MO kinetic integrals read from disk'
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else
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print *, 'Providing MO kinetic integrals from AO kinetic integrals'
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call ao_to_mo_complex( &
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ao_kinetic_integrals_complex, &
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size(ao_kinetic_integrals_complex,1), &
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@ -12,7 +12,7 @@ BEGIN_PROVIDER [ complex*16, mo_one_e_integrals_complex,(mo_num,mo_num)]
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ELSE
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mo_one_e_integrals_complex = mo_integrals_n_e_complex + mo_kinetic_integrals_complex
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IF (DO_PSEUDO) THEN
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IF (do_pseudo) THEN
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mo_one_e_integrals_complex += mo_pseudo_integrals_complex
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ENDIF
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@ -22,6 +22,7 @@ BEGIN_PROVIDER [ complex*16, mo_one_e_integrals_complex,(mo_num,mo_num)]
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call ezfio_set_mo_one_e_ints_mo_one_e_integrals_complex(mo_one_e_integrals_complex)
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print *, 'MO one-e integrals written to disk'
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ENDIF
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print*,'Provided the one-electron integrals'
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END_PROVIDER
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@ -5,10 +5,12 @@ BEGIN_PROVIDER [complex*16, mo_integrals_n_e_complex, (mo_num,mo_num)]
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END_DOC
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integer :: i,j
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print *, 'Providing MO N-e integrals'
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if (read_mo_integrals_e_n) then
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call ezfio_get_mo_one_e_ints_mo_integrals_e_n_complex(mo_integrals_n_e_complex)
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print *, 'MO N-e integrals read from disk'
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else
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print *, 'Providing MO N-e integrals from AO N-e integrals'
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call ao_to_mo_complex( &
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ao_integrals_n_e_complex, &
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size(ao_integrals_n_e_complex,1), &
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