comp_allmult_int1_prim Subroutine

public subroutine comp_allmult_int1_prim(cp, id, r, mxmom, blk)

@brief Compute primitive block of multipole integrals up to an order MXMOM @param[in] cp shell pair data @param[in] id current pair of primitives @param[in] r point in space to compute integrals @param[in] mxmom multiplole moment order (1-dipole, 2-quadrupole, 3-octopole) @param[inout] blk block of 1e multipole moment integrals @author Vladimir Mironov @date Sep, 2018 Initial release

Arguments

Type IntentOptional Attributes Name
type(shpair_t), intent(in) :: cp
integer, intent(in) :: id
real(kind=real64), intent(in), contiguous :: r(:)
integer, intent(in) :: mxmom
real(kind=real64), intent(inout), contiguous :: blk(:,:)

Calls

proc~~comp_allmult_int1_prim~~CallsGraph proc~comp_allmult_int1_prim comp_allmult_int1_prim proc~mulquadgausshermite mulQuadGaussHermite proc~comp_allmult_int1_prim->proc~mulquadgausshermite abrt abrt proc~mulquadgausshermite->abrt

Called by

proc~~comp_allmult_int1_prim~~CalledByGraph proc~comp_allmult_int1_prim comp_allmult_int1_prim proc~multipole_integrals multipole_integrals proc~multipole_integrals->proc~comp_allmult_int1_prim proc~electric_moments electric_moments proc~electric_moments->proc~multipole_integrals proc~get_td_transition_dipole get_td_transition_dipole proc~get_td_transition_dipole->proc~multipole_integrals proc~get_transition_dipole get_transition_dipole proc~get_transition_dipole->proc~multipole_integrals proc~tdhf_energy tdhf_energy proc~tdhf_energy->proc~get_td_transition_dipole proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->proc~get_transition_dipole proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->proc~get_transition_dipole proc~tdhf_energy_c tdhf_energy_C proc~tdhf_energy_c->proc~tdhf_energy proc~tdhf_mrsf_energy_c tdhf_mrsf_energy_C proc~tdhf_mrsf_energy_c->proc~tdhf_mrsf_energy proc~tdhf_sf_energy_c tdhf_sf_energy_C proc~tdhf_sf_energy_c->proc~tdhf_sf_energy