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| subroutine, public | cgto_integrals_gbl::GG_initialize (CGTO_shells, a, dipole_damp_factor, delta_r1) |
| | Determine wheter tails will be subtracted when the integrals will be calculated. If so then it calculates the norms of the continuum shells. More...
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| subroutine, public | cgto_integrals_gbl::GG_shell_integrals (shell_A, shell_B, A, B, starting_index_A, starting_index_B, use_spherical_cgto_alg, max_property_l, property_center, symmetry_data, olap_column, kei_column, prop_column, nai_column, one_elham_column, int_index, integrals) |
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| subroutine, public | cgto_integrals_gbl::GGGG_initialize (CGTO_shells, shell_starting_indices, tol, a, keep_ab_cd_order, two_p_continuum, indexing_method_inp) |
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| subroutine, public | cgto_integrals_gbl::GGGG_shell_integrals (shell_A, shell_B, shell_C, shell_D, A, B, C, D, starting_index_A, starting_index_B, starting_index_C, starting_index_D, use_spherical_cgto_alg, two_el_column, int_index, integrals) |
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| subroutine, public | cgto_integrals_gbl::GGGG_final |
| | Gets rid of all arrays local to this module related to evaluation of 2-electron integrals. Additionally, the arrays used by cgto_hgp and eri_sph are removed, too: these can be large for high ang. momentum. More...
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