update_triang_matrix Subroutine

public subroutine update_triang_matrix(shi, shj, mblk, m)

@brief Add contribution of the 1e-integral block to the triangular matrix @param[in] shi first shell data @param[in] shj second shell data @param[in] mblk square block of 1e integrals passed as 1D array @param[inout] m packed triangular matrix of 1e integral contribution @author Vladimir Mironov @date Sep, 2018 Initial release

Arguments

Type IntentOptional Attributes Name
type(shell_t), intent(in) :: shi
type(shell_t), intent(in) :: shj
real(kind=REAL64), intent(in), CONTIGUOUS :: mblk(:)
real(kind=REAL64), intent(inout), CONTIGUOUS :: m(:)

Called by

proc~~update_triang_matrix~~CalledByGraph proc~update_triang_matrix update_triang_matrix proc~multipole_integrals multipole_integrals proc~multipole_integrals->proc~update_triang_matrix proc~omp_hst omp_hst proc~omp_hst->proc~update_triang_matrix proc~overlap overlap proc~overlap->proc~update_triang_matrix 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~huckel_guess huckel_guess proc~huckel_guess->proc~overlap proc~int1e int1e proc~int1e->proc~omp_hst proc~guess_huckel guess_huckel proc~guess_huckel->proc~huckel_guess 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~guess_huckel_c guess_huckel_C proc~guess_huckel_c->proc~guess_huckel 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