density_ordered Subroutine

public subroutine density_ordered(shi, shj, dij, denab)

@brief Copy density block from the triangular density matrix @details This subroutine assumes shi%shid>=shj%shid @param[in] shi first shell data @param[in] shj second shell data @param[in] dij density matrix in packed triangular form @param[out] denab density matrix block for shells shi and shj

Note

Used in HELFEY-based subroutines @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(out), CONTIGUOUS :: dij(:)
real(kind=REAL64), intent(in), CONTIGUOUS :: denab(:)

Called by

proc~~density_ordered~~CalledByGraph proc~density_ordered density_ordered proc~electrostatic_potential electrostatic_potential proc~electrostatic_potential->proc~density_ordered proc~oqp_resp_charges oqp_resp_charges proc~oqp_resp_charges->proc~electrostatic_potential proc~resp_charges_c resp_charges_C proc~resp_charges_c->proc~oqp_resp_charges