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quantum_package/src/MonoInts/ao_mono_ints.irp.f
2015-01-07 16:52:58 +01:00

15 lines
415 B
Fortran

BEGIN_PROVIDER [ double precision, ao_mono_elec_integral,(ao_num_align,ao_num)]
implicit none
integer :: i,j,n,l
BEGIN_DOC
! array of the mono electronic hamiltonian on the AOs basis
! : sum of the kinetic and nuclear electronic potential
END_DOC
do j = 1, ao_num
do i = 1, ao_num
ao_mono_elec_integral(i,j) = ao_nucl_elec_integral(i,j) + ao_kinetic_integral(i,j)
enddo
enddo
END_PROVIDER