subroutine, public | mp2_ri_libint::libint_ri_mp2 (dimen, RI_dimen, occupied, natom, mp2_biel, mp2_env, C, kind_of, RI_basis_parameter, RI_basis_info, basis_S0, RI_index_table, qs_env, para_env, Lai) |
subroutine, public | mp2_ri_libint::prepare_integral_calc (cell, qs_env, mp2_env, para_env, mp2_potential_parameter, actual_x_data, do_periodic, basis_parameter, max_set, particle_set, natom, kind_of, nsgf_max, primitive_integrals, ee_work, ee_work2, ee_buffer1, ee_buffer2, ee_primitives_tmp, nspins, max_contraction, max_pgf, pgf_list_ij, pgf_list_kl, pgf_product_list, nimages, eps_schwarz, log10_eps_schwarz, private_lib, p_work, screen_coeffs_set, screen_coeffs_kind, screen_coeffs_pgf, radii_pgf, RI_basis_parameter, RI_basis_info) |