diff --git a/src/MonoInts/README.rst b/src/MonoInts/README.rst index fdbb086b..688bc647 100644 --- a/src/MonoInts/README.rst +++ b/src/MonoInts/README.rst @@ -63,44 +63,77 @@ Documentation array of the mono electronic hamiltonian on the MOs basis : sum of the kinetic and nuclear electronic potential +`a_coef `_ + Undocumented + +`b_coef `_ + Undocumented + +`ddfact2 `_ + Undocumented + +`erf0 `_ + Undocumented + +`gammln `_ + Undocumented + +`gammp `_ + Undocumented + +`gcf `_ + Undocumented + +`gser `_ + Undocumented + +`rinteg `_ + Undocumented + +`rintgauss `_ + Undocumented + +`sabpartial `_ + Undocumented + `orthonormalize_mos `_ Undocumented `ao_nucl_elec_integral `_ interaction nuclear electron -`ao_nucl_elec_integral_per_atom `_ +`ao_nucl_elec_integral_per_atom `_ ao_nucl_elec_integral_per_atom(i,j,k) = - where Rk is the geometry of the kth atom -`give_polynom_mult_center_mono_elec `_ +`give_polynom_mult_center_mono_elec `_ Undocumented -`i_x1_pol_mult_mono_elec `_ +`i_x1_pol_mult_mono_elec `_ Undocumented -`i_x2_pol_mult_mono_elec `_ +`i_x2_pol_mult_mono_elec `_ Undocumented -`int_gaus_pol `_ +`int_gaus_pol `_ Undocumented -`nai_pol_mult `_ +`nai_pol_mult `_ Undocumented -`v_e_n `_ +`v_e_n `_ Undocumented -`v_phi `_ +`v_phi `_ Undocumented -`v_r `_ +`v_r `_ Undocumented -`v_theta `_ +`v_theta `_ Undocumented -`wallis `_ +`wallis `_ Undocumented `mo_nucl_elec_integral `_ @@ -221,5 +254,8 @@ Documentation array of the integrals of MO_i * y^2 MO_j array of the integrals of MO_i * z^2 MO_j +`compute_integrals_pseudo `_ + Undocumented +