Here is a list of all documented data types members with links to the data structure documentation for each member

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C

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- c -

• callback() : tblite_api_context::callback
• cartesian_to_spherical_trafo() : tblite_basis_type::basis_type
• cds : tblite_solvation_input::solvation_input
• cgto : tblite_basis_type::basis_type
• charge : tblite_param::param_record, tblite_param_mask::param_mask
• chempot : tblite_post_processing_xtbml_cache::xtbml_cache
• cn : tblite_post_processing_xtbml_cache::xtbml_cache
• coeff : tblite_basis_type::cgto_type, tblite_wavefunction_type::wavefunction_type
• comp_dipm : tblite_post_processing_molmom::molecular_moments
• comp_qm : tblite_post_processing_molmom::molecular_moments
• compare() : tblite_basis_type::cgto_type
• compute() : tblite_post_processing_list::post_processing_list, tblite_post_processing_molmom::molecular_moments, tblite_post_processing_type::compute, tblite_post_processing_type::post_processing_type, tblite_post_processing_wbo::wiberg_bond_orders, tblite_post_processing_xtbml::xtbml_type
• compute_extended() : tblite_post_processing_xtbml_density::xtbml_density_features, tblite_post_processing_xtbml_energy::xtbml_energy_features, tblite_post_processing_xtbml_features::xtbml_feature_type, tblite_post_processing_xtbml_geometry::xtbml_geometry_features, tblite_post_processing_xtbml_orbital::xtbml_orbital_features
• compute_features() : tblite_post_processing_xtbml_density::xtbml_density_features, tblite_post_processing_xtbml_energy::xtbml_energy_features, tblite_post_processing_xtbml_features::xtbml_feature_type, tblite_post_processing_xtbml_geometry::xtbml_geometry_features, tblite_post_processing_xtbml_orbital::xtbml_orbital_features
• compute_kernel() : tblite_post_processing_xtbml_convolution::xtbml_convolution
• concat_left() : tblite_context_terminal::operator(//)
• concat_right() : tblite_context_terminal::operator(//)
• conv : tblite_post_processing_xtbml::xtbml_type
• conv_cn : tblite_post_processing_xtbml_cache::xtbml_cache
• conv_kernel : tblite_post_processing_xtbml_cache::xtbml_cache
• coulomb : tblite_xtb_calculator::xtb_calculator
• crc32_hash_char_r0() : tblite_io_numpy_crc32::crc32_hash
• crc32_hash_char_r1() : tblite_io_numpy_crc32::crc32_hash
• crc32_hash_i4_r1() : tblite_io_numpy_crc32::crc32_hash
• crc32_hash_rdp_r1() : tblite_io_numpy_crc32::crc32_hash
• create_alpb() : tblite_solvation_alpb::alpb_solvation
• create_alpb_input() : tblite_solvation_alpb::alpb_input
• create_cds() : tblite_solvation_cds::cds_solvation
• create_cds_input() : tblite_solvation_cds::cds_input
• create_electric_field() : tblite_external_field::electric_field
• create_shift() : tblite_solvation_shift::shift_solvation
• create_shift_input() : tblite_solvation_shift::shift_input
• cutoff : tblite_classical_halogen::halogen_correction, tblite_disp_d3::d3_dispersion, tblite_disp_d4::d4_dispersion, tblite_repulsion_effective::tb_repulsion
• cycles : tblite_scf_mixer_input::anneal_input