quantum_package/src/Integrals_Monoelec/mo_mono_ints.irp.f

BEGIN_PROVIDER [ double precision, mo_mono_elec_integral,(mo_tot_num_align,mo_tot_num)]
  implicit none
  integer :: i,j,n,l
  BEGIN_DOC
 ! array of the mono electronic hamiltonian on the MOs basis
 ! : sum of the kinetic and nuclear electronic potential 
  END_DOC
  do j = 1, mo_tot_num
   do i = 1, mo_tot_num
    mo_mono_elec_integral(i,j) = mo_nucl_elec_integral(i,j) + mo_kinetic_integral(i,j) + mo_pseudo_integral(i,j)
   enddo
  enddo
END_PROVIDER
Added Mono Integrals. Works in openMP 2014-04-16 22:16:32 +02:00			`BEGIN_PROVIDER [ double precision, mo_mono_elec_integral,(mo_tot_num_align,mo_tot_num)]`
			`implicit none`
			`integer :: i,j,n,l`
			`BEGIN_DOC`
			`! array of the mono electronic hamiltonian on the MOs basis`
			`! : sum of the kinetic and nuclear electronic potential`
			`END_DOC`
Minor changes in Hartree-Fock 2014-04-24 12:31:15 +02:00			`do j = 1, mo_tot_num`
			`do i = 1, mo_tot_num`
CLeaning pseudos 2015-05-11 17:58:42 +02:00			`mo_mono_elec_integral(i,j) = mo_nucl_elec_integral(i,j) + mo_kinetic_integral(i,j) + mo_pseudo_integral(i,j)`
Added Mono Integrals. Works in openMP 2014-04-16 22:16:32 +02:00			`enddo`
			`enddo`
			`END_PROVIDER`