Class Hierarchy

This inheritance list is sorted roughly, but not completely, alphabetically:

[detail level 123]

C_layout
C_task
Cai_operators_r12::ab_sint_os	Interface for the calculation of integrals over s-functions and the s-type auxiliary integrals using the Obara-Saika (OS) scheme
Cmc_types::accattempt
Csockets_interface::accept_socket
Ckahan_sum::accurate_dot_product
Ckahan_sum::accurate_dot_product_2
Ckahan_sum::accurate_sum
Cfist_nonbond_env_types::ace_data_type
Cace_wrapper::ace_interface
Cace_wrapper::ace_model_type
Cpair_potential_types::ace_pot_type
Cqs_active_space_types::active_space_type
Cqmmm_types_low::add_set_type	..
Cqmmm_types_low::add_shell_type	Parameters for core-shell model potentials
Cdomain_submatrix_methods::add_submatrices
Ccp_control_types::admm_control_type
Cadmm_dm_types::admm_dm_type
Cadmm_types::admm_gapw_r3d_rs_type	A subtype of the admm_env that contains the extra data needed for an ADMM GAPW calculation
Cadmm_types::admm_type	Stores some data used in wavefunction fitting
Cal_system_types::al_system_type
Csap_kind_types::alist_type
Cexternal_potential_types::all_potential_type
Cfist_nonbond_env_types::allegro_data_type
Cpair_potential_types::allegro_pot_type
Cdbt_allocate_wrap::allocate_any
Cexternal_potential_types::allocate_potential
Calmo_scf_diis_types::almo_scf_diis_init
Calmo_scf_diis_types::almo_scf_diis_type
Calmo_scf_types::almo_scf_env_type
Calmo_scf_types::almo_scf_history_type
Cforce_field_types::amber_info_type
Csemi_empirical_par_utils::amn_l
Cmulliken::ao_charges
Cpreconditioner::apply_preconditioner
Cqs_apt_fdiff_types::apt_fdiff_point_type
Cqs_apt_fdiff_types::apt_fdiff_points_type
Carnoldi_types::arnoldi_control_type
Carnoldi_types::arnoldi_data_type
Carnoldi_types::arnoldi_env_type
Ctopology_util::array1_list_type
Ctopology_util::array2_list_type
Cdbt_tas_util::array_eq
Cdbt_array_list_methods::array_list
Catom_types::atom_basis_type	Provides all information about a basis set
Catom_types::atom_ecppot_type
Catom_types::atom_gthpot_type	Provides all information about a pseudopotential
Catom_types::atom_hfx_type	Provides info about hartree-fock exchange (For now, we only support potentials that can be represented with Coulomb and longrange-coulomb potential)
Catom_optimization::atom_history_type
Ctopology_types::atom_info_type
Catom_types::atom_integrals
Cqs_grid_atom::atom_integration_grid_type
Catom_types::atom_optimization_type	Information on optimization procedure
Catom_types::atom_orbitals	Holds atomic orbitals and energies
Catom_types::atom_p_type
Ctask_list_types::atom_pair_type
Ctmc_analysis_types::atom_pairs_type
Catom_types::atom_potential_type
Catom_sgp::atom_sgp_potential_type
Catom_types::atom_sgppot_type
Catom_types::atom_state	Provides all information on states and occupation
Catom_types::atom_type	Provides all information about an atomic kind
Cmolecule_kind_types::atom_type
Catom_upf::atom_upfpot_type
Catomic_kind_list_types::atomic_kind_list_p_type	Pointer to a list
Catomic_kind_list_types::atomic_kind_list_type	Represent a list of objects
Catomic_kind_types::atomic_kind_type	Provides all information about an atomic kind
Catprop_types::atprop_type	Type for the atomic properties
Caverages_types::average_quantities_type
Cbackend_context_t	Private struct for storing the context of the multiplication backend
Cpost_scf_bandstructure_types::band_edges_type
Cbarostat_types::barostat_type
Coptimize_basis_types::basis_optimization_type	Type containing all information needed for basis matching
Catom_grb::basis_p_type
Cbasis_set_container_types::basis_set_container_type
Cxas_tdp_types::batch_info_type
Cqs_cdft_types::becke_constraint_type
Cforce_field_kind_types::bend_kind_type
Cmolecule_kind_types::bend_type
Cai_contraction::block_add
Chfx_types::block_ind_type
Cdbt_block::block_nd
Cblock_p_types::block_p_type
Cforce_field_kind_types::bond_kind_type
Cmolecule_kind_types::bond_type
Ccp_parser_buffer_types::buffer_type	Buffer type for speeding-up the parsing in parallel
Csubmatrix_types::buffer_type
Csubmatrix_types::bufptr_type
Ccab_store	Cab matrix container to be passed through get_force/virial to cab_get
Cxc_functionals_utilities::calc_fx
Cxc_functionals_utilities::calc_rs
Cqs_density_matrices::calculate_density_matrix
Cqs_core_energies::calculate_ptrace
Cqs_collocate_density::calculate_rho_core
Cqs_collocate_density::calculate_rho_resp_all
Cqs_mo_methods::calculate_subspace_eigenvalues
Cqs_density_matrices::calculate_w_matrix
Ctimings_base_type::call_stat_type
Ccallgraph::callgraph_item_type
Ccallgraph::callgraph_type
Ctimings_base_type::callstack_entry_type
Clri_environment_types::carray
Cnegf_integr_cc::ccquad_type	Adaptive Clenshaw-Curtis environment
Cqs_cdft_types::cdft_control_type
Cqs_cdft_types::cdft_group_type	Control parameters for CDFT simulations
Cqs_cdft_opt_types::cdft_opt_type	Parameters needed by CDFT specific optimizers
Ccell_opt_types::cell_opt_env_type	Type containing all informations abour the simulation cell optimization
Ccell_types::cell_p_type
Ccell_types::cell_type	Type defining parameters related to the simulation cell
Cforce_field_types::charmm_info_type
Cspherical_harmonics::clebsch_gordon
Csap_kind_types::clist_type
Csockets_interface::close_socket
Cqs_cneo_types::cneo_potential_type
Ccollocation_integration_
Cmolecule_kind_types::colvar_constraint_type
Ccolvar_types::colvar_counters
Ccolvar_types::colvar_p_type
Ccolvar_types::colvar_type	Parameters for a collective variable
Cqs_scf_methods::combine_ks_matrices
Ctopology_types::connectivity_info_type
Ctopology_types::constr_list_type
Ctopology_types::constraint_info_type
Crocm_backend::context_info
Cai_contraction::contraction
Ccp_cfm_types::copy_cfm_info_type	Stores the state of a copy between cp_cfm_start_copy_general and cp_cfm_finish_copy_general
Ccp_fm_types::copy_info_type	Stores the state of a copy between cp_fm_start_copy_general and cp_fm_finish_copy_general
Cexternal_potential_types::copy_potential
Cdomain_submatrix_methods::copy_submatrices
Ccp2k_csr_interop_type	CP2K's C-interoperable CSR matrix This definition matches the respective type definition in the transport_env_types module
Ctransport_env_types::cp2k_csr_interop_type
Ccp2k_transport_parameters	Transport parameters read from a CP2K input file. This definition matches the respective type definition in the transport_env_types module
Ctransport_env_types::cp2k_transport_parameters
Ccp_array_utils::cp_1d_c_cp_type	Represent a pointer to a contiguous 1d array
Ccp_array_utils::cp_1d_c_p_type	Represent a pointer to a 1d array
Ccp_array_utils::cp_1d_i_cp_type	Represent a pointer to a contiguous 1d array
Ccp_array_utils::cp_1d_i_p_type	Represent a pointer to a 1d array
Ccp_array_utils::cp_1d_logical_cp_type	Represent a pointer to a contiguous 1d array
Ccp_array_utils::cp_1d_logical_p_type	Represent a pointer to a 1d array
Ccp_array_utils::cp_1d_r_cp_type	Represent a pointer to a contiguous 1d array
Ccp_array_utils::cp_1d_r_p_type	Represent a pointer to a 1d array
Cqs_density_mixing_types::cp_1d_z_p_type
Ccp_array_utils::cp_2d_c_cp_type	Represent a pointer to a contiguous 2d array
Ccp_array_utils::cp_2d_c_p_type	Represent a pointer to a 2d array
Ccp_array_utils::cp_2d_i_cp_type	Represent a pointer to a contiguous 2d array
Ccp_array_utils::cp_2d_i_p_type	Represent a pointer to a 2d array
Ccp_array_utils::cp_2d_logical_cp_type	Represent a pointer to a contiguous 2d array
Ccp_array_utils::cp_2d_logical_p_type	Represent a pointer to a 2d array
Ccp_array_utils::cp_2d_r_cp_type	Represent a pointer to a contiguous 2d array
Ccp_array_utils::cp_2d_r_p_type	Represent a pointer to a 2d array
Ccp_array_utils::cp_3d_c_cp_type	Represent a pointer to a contiguous 3d array
Ccp_array_utils::cp_3d_c_p_type	Represent a pointer to a 3d array
Ccp_array_utils::cp_3d_i_cp_type	Represent a pointer to a contiguous 3d array
Ccp_array_utils::cp_3d_i_p_type	Represent a pointer to a 3d array
Ccp_array_utils::cp_3d_logical_cp_type	Represent a pointer to a contiguous 3d array
Ccp_array_utils::cp_3d_logical_p_type	Represent a pointer to a 3d array
Ccp_array_utils::cp_3d_r_cp_type	Represent a pointer to a contiguous 3d array
Ccp_array_utils::cp_3d_r_p_type	Represent a pointer to a 3d array
►Ccp_blacs_types::cp_blacs_type
Ccp_blacs_env::cp_blacs_env_type	Represent a blacs multidimensional parallel environment (for the mpi corrispective see cp_paratypes/mp_para_cart_type)
Ccp_cfm_types::cp_cfm_p_type	Just to build arrays of pointers to matrices
Ccp_cfm_basic_linalg::cp_cfm_scale
Ccp_cfm_types::cp_cfm_to_cfm
Ccp_cfm_types::cp_cfm_type	Represent a complex full matrix
Ccp_linked_list_fm::cp_create
Ccp_linked_list_input::cp_create
Ccp_linked_list_pw::cp_create
Ccp_linked_list_xc_deriv::cp_create
Ccp_ddapc_types::cp_ddapc_ewald_type
Ccp_ddapc_types::cp_ddapc_type
Ccp_linked_list_fm::cp_dealloc
Ccp_linked_list_input::cp_dealloc
Ccp_linked_list_pw::cp_dealloc
Ccp_linked_list_xc_deriv::cp_dealloc
Ccp_eri_mme_interface::cp_eri_mme_param
Ccp_eri_mme_interface::cp_eri_mme_set_params
Ccp_fm_basic_linalg::cp_fm_contracted_trace
Ccp_fm_types::cp_fm_p_type	Just to build arrays of pointers to matrices
Ccp_fm_pool_types::cp_fm_pool_p_type	To create arrays of pools
Ccp_fm_pool_types::cp_fm_pool_type	Represent a pool of elements with the same structure
Ccp_fm_diag_utils::cp_fm_redistribute_info
Ccp_fm_types::cp_fm_release
Ccp_fm_struct::cp_fm_struct_p_type
Ccp_fm_struct::cp_fm_struct_type	Keeps the information about the structure of a full matrix
Ccp_fm_types::cp_fm_to_fm
Ccp_fm_basic_linalg::cp_fm_trace
Ccp_fm_types::cp_fm_type	Represent a full matrix
Ccp_linked_list_fm::cp_get_element_at
Ccp_linked_list_input::cp_get_element_at
Ccp_linked_list_pw::cp_get_element_at
Ccp_linked_list_xc_deriv::cp_get_element_at
Ccp_linked_list_fm::cp_get_first_el
Ccp_linked_list_input::cp_get_first_el
Ccp_linked_list_pw::cp_get_first_el
Ccp_linked_list_xc_deriv::cp_get_first_el
Ccp_linked_list_fm::cp_get_length
Ccp_linked_list_input::cp_get_length
Ccp_linked_list_pw::cp_get_length
Ccp_linked_list_xc_deriv::cp_get_length
Ccp_linked_list_fm::cp_get_rest
Ccp_linked_list_input::cp_get_rest
Ccp_linked_list_pw::cp_get_rest
Ccp_linked_list_xc_deriv::cp_get_rest
Ccp_array_utils::cp_guarantee_size
Ccp_min_heap::cp_heap_type
Ccp_linked_list_fm::cp_insert
Ccp_linked_list_input::cp_insert
Ccp_linked_list_pw::cp_insert
Ccp_linked_list_xc_deriv::cp_insert
Ccp_iter_types::cp_iteration_info_type	Information about the current state of the program to be able to decide if output is necessary
Ccp_lbfgs_optimizer_gopt::cp_lbfgs_opt_gopt_type	Info for the optimizer (see the description of this module)
Clibint_wrapper::cp_libint_t
Ccp_log_handling::cp_logger_p_type
Ccp_log_handling::cp_logger_type	Type of a logger, at the moment it contains just a print level starting at which level it should be logged (0 note, 1 warning, 2 failure, 3 fatal) it could be expanded with the ability to focus on one or more module/object/thread/processor
Ccp_linked_list_fm::cp_next
Ccp_linked_list_input::cp_next
Ccp_linked_list_pw::cp_next
Ccp_linked_list_xc_deriv::cp_next
Ccp_parser_types::cp_parser_type	Represent a parser
Cpexsi_interface::cp_pexsi_options
Ccp_linked_list_fm::cp_remove_all
Ccp_linked_list_input::cp_remove_all
Ccp_linked_list_pw::cp_remove_all
Ccp_linked_list_xc_deriv::cp_remove_all
Ccp_linked_list_fm::cp_remove_el
Ccp_linked_list_input::cp_remove_el
Ccp_linked_list_pw::cp_remove_el
Ccp_linked_list_xc_deriv::cp_remove_el
Ccp_linked_list_fm::cp_remove_first_el
Ccp_linked_list_input::cp_remove_first_el
Ccp_linked_list_pw::cp_remove_first_el
Ccp_linked_list_xc_deriv::cp_remove_first_el
Ccp_result_types::cp_result_p_type
Ccp_result_types::cp_result_type	Arbitrary information which need to be stored
Ccp_linked_list_fm::cp_set_element_at
Ccp_linked_list_input::cp_set_element_at
Ccp_linked_list_pw::cp_set_element_at
Ccp_linked_list_xc_deriv::cp_set_element_at
Ccp_linked_list_pw::cp_sll_1d_c_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_pw::cp_sll_1d_c_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_pw::cp_sll_1d_r_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_pw::cp_sll_1d_r_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_pw::cp_sll_3d_c_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_pw::cp_sll_3d_c_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_pw::cp_sll_3d_r_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_pw::cp_sll_3d_r_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_input::cp_sll_char_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_input::cp_sll_char_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_fm::cp_sll_fm_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_fm::cp_sll_fm_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_input::cp_sll_int_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_input::cp_sll_int_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_input::cp_sll_logical_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_input::cp_sll_logical_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_input::cp_sll_real_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_input::cp_sll_real_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_pw::cp_sll_rs_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_pw::cp_sll_rs_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_input::cp_sll_val_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_input::cp_sll_val_type	Represent a single linked list that stores pointers to the elements
Ccp_linked_list_xc_deriv::cp_sll_xc_deriv_p_type	Pointer to a linked list (to make arrays of pointers)
Ccp_linked_list_xc_deriv::cp_sll_xc_deriv_type	Represent a single linked list that stores pointers to the elements
Ccp_subsys_types::cp_subsys_p_type	Represent a pointer to a subsys, to be able to create arrays of pointers
Ccp_subsys_types::cp_subsys_type	System: atoms, molecules, their pos,vel,..
Ccp_linked_list_fm::cp_to_array
Ccp_linked_list_input::cp_to_array
Ccp_linked_list_pw::cp_to_array
Ccp_linked_list_xc_deriv::cp_to_array
Ccp_log_handling::cp_to_string
Ccp_units::cp_unit_set_type	Stores the default units to be used
Ccp_units::cp_unit_type	Stores a unit
Cdbt_block::create_block
Cgroup_dist_types::create_group_dist
Cqs_overlap::create_sab_matrix
Ccsvr_system_types::csvr_system_type
Ccryssym::csym_type	CSM type
Cct_types::ct_step_env_type
Ccube_utils::cube_info_type
Cqs_linres_types::current_env_type
Cintegrator_utils::damp_v
Cdamping_dipole_types::damping_info_type
Cdamping_dipole_types::damping_p_type
Cdamping_dipole_types::damping_type
Cpost_scf_bandstructure_types::data_3_type
Cqs_block_davidson_types::davidson_type
Ccp_dbcsr_operations::dbcsr_allocate_matrix_set
Ccp_dbcsr_api::dbcsr_create
Ccp_dbcsr_operations::dbcsr_deallocate_matrix_set
Ccp_dbcsr_api::dbcsr_distribution_type
Ccp_dbcsr_api::dbcsr_iterator_type
Ccp_dbcsr_api::dbcsr_p_type
Ccp_dbcsr_api::dbcsr_type
Cdbm_block_t	Internal struct for storing a block's metadata
Cdbm_comm_iterator_t	Internal struct for storing a communication iterator
Cdbm_dist_1d_t	Internal struct for storing a one dimensional distribution
Cdbm_api::dbm_distribution_obj
Cdbm_distribution_t	Internal struct for storing a two dimensional distribution
Cdbm_api::dbm_iterator
Cdbm_iterator_t	Internal struct for storing a block iterator
Cdbm_matrix_t	Internal struct for storing a matrix
Cdbm_pack_block_t	Internal struct for storing a dbm_block_t plus its norm
Cdbm_pack_t	Internal struct for storing a pack - essentially a shard for MPI
Cdbm_packed_matrix_t	Internal struct for storing a packed matrix
Cdbm_shard_t	Internal struct for storing a matrix shard
Cdbm_task_t	Internal struct for storing a task, ie. a single block multiplication
Cdbm_api::dbm_type
Cdbt_types::dbt_contraction_storage
Cdbt_types::dbt_create
Cdbt_types::dbt_distribution_type
Cdbt_block::dbt_get_block
Cdbt_block::dbt_iterator_type
Cdbt_types::dbt_pgrid_type
Cdbt_block::dbt_put_block
Cdbt_block::dbt_reserve_blocks
Cdbt_tas_base::dbt_tas_create
►Cdbt_tas_global::dbt_tas_distribution
Cdbt_tas_global::dbt_tas_dist_arb	Type for arbitrary distributions
Cdbt_tas_global::dbt_tas_dist_cyclic	Type for cyclic (round robin) distribution:
Cdbt_tas_global::dbt_tas_dist_repl	Type for replicated distribution
Cdbt_tas_types::dbt_tas_distribution_type
Cdbt_tas_types::dbt_tas_iterator
Cdbt_tas_base::dbt_tas_iterator_next_block
Cdbt_tas_types::dbt_tas_mm_storage
Cdbt_tas_split::dbt_tas_mp_comm
Cdbt_tas_base::dbt_tas_reserve_blocks
►Cdbt_tas_global::dbt_tas_rowcol_data
Cdbt_tas_global::dbt_tas_blk_size_arb	Type for arbitrary block sizes
Cdbt_tas_global::dbt_tas_blk_size_one	Type for blocks of size one
Cdbt_tas_global::dbt_tas_blk_size_repl	Type for replicated block sizes
Cdbt_tas_types::dbt_tas_split_info
Cdbt_tas_types::dbt_tas_type
Cdbt_types::dbt_type
Cqs_linres_types::dcdr_env_type
Cqs_dispersion_cnum::dcnum_type
Cdct::dct_type
Ccp_control_types::ddapc_restraint_type
Cexternal_potential_types::deallocate_potential
Cai_contraction::decontraction
Cfist_nonbond_env_types::deepmd_data_type
Cdeepmd_wrapper::deepmd_model_type
Cpair_potential_types::deepmd_pot_type
Coptimize_basis_types::derived_basis_info
Cmathlib::det_3x3
Ccp_control_types::dft_control_type
Ccp_control_types::dftb_control_type
Cdgs::dg_get_patch
Cdg_rho0_types::dg_rho0_type	Type for Gaussian Densities type = type of gaussian (PME) grid = grid number gcc = Gaussian contraction coefficient zet = Gaussian exponent
Cdgs::dg_sum_patch
Cdgs::dg_sum_patch_force_1d
Cdgs::dg_sum_patch_force_3d
Cdg_types::dg_type
Cdgemm_counter_types::dgemm_counter_type
Cdgemm_params_
Ceigenvalueproblems::diagonalise
Cdielectric_methods::dielectric_compute
Cdielectric_types::dielectric_parameters
Cdielectric_types::dielectric_type
Cdimer_types::dimer_env_type	Defines the environment for a Dimer Method calculation
Clri_integrals::dint_type
Ctmc_analysis_types::dipole_moment_type
Cdirichlet_bc_types::dirichlet_bc_p_type
Cdirichlet_bc_types::dirichlet_bc_parameters
Cdirichlet_bc_types::dirichlet_bc_type
Cdistribution_1d_types::distribution_1d_type	Structure to store local (to a processor) ordered lists of integers
Cdistribution_2d_types::distribution_2d_type	Distributes pairs on a 2d grid of processors
Cqs_tensors_types::distribution_3d_type
Cdomain_submatrix_types::domain_map_type
Cdomain_submatrix_types::domain_submatrix_type
Cxas_tdp_types::donor_state_type	Type containing informations about a single donor state
Cspherical_harmonics::dy_lm
Cpair_potential_types::eam_pot_type
Cfist_nonbond_env_types::eam_type
Chartree_local_types::ecoul_1center_type
Ceeq_input::eeq_solver_type
Cqs_period_efield_types::efield_berry_type
Ccp_control_types::efield_type
Ceip_environment_types::eip_environment_type	The empirical interatomic potential environment
Ctmc_tree_types::elem_array_type
Ctmc_tree_types::elem_list_type
Cembed_types::embed_env_type	Embedding environment type
Cec_env_types::energy_correction_type	Contains information on the energy correction functional for KG
Ckg_environment_types::energy_correction_type	Contains information on the energy correction functional for KG
Cinput_enumeration_types::enumeration_type
Cqs_linres_types::epr_env_type
Cnegf_integr_utils::equidistant_nodes_a_b
Catom_types::eri	Holds atomic integrals
Ceri_mme_types::eri_mme_param
Cqs_active_space_types::eri_type
Cqs_active_space_types::eri_type_eri_element_func	Abstract function object for the eri_type_eri_foreach method
Cqs_active_space_types::eri_type_eri_element_func_interface	The function signature to be implemented by a child of eri_type_eri_element_func
Cet_coupling_types::et_coupling_type
Cewald_environment_types::ewald_environment_type	To build arrays of pointers
Cewald_pw_types::ewald_pw_type
Cexstates_types::excited_energy_type	Contains information on the excited states energy
Cbse_properties::exciton_descr_type
Cexclusion_types::exclusion_type	A type used to store lists of exclusions and onfos
Ccp_control_types::expot_control_type
Cf77_interface::f_env_type
Cfarming_types::farming_env_type
Cqs_fb_atomic_halo_types::fb_atomic_halo_list_obj	Defines a fb_atomic_halo_list object
Cqs_fb_atomic_halo_types::fb_atomic_halo_obj	Defines a fb_atomic_halo object
Cqs_fb_buffer_types::fb_buffer_add
Cqs_fb_buffer_types::fb_buffer_create
Cqs_fb_buffer_types::fb_buffer_d_obj	Object/pointer wrapper for fb_buffer object
Cqs_fb_buffer_types::fb_buffer_get
Cqs_fb_buffer_types::fb_buffer_has_data
Cqs_fb_buffer_types::fb_buffer_nullify
Cqs_fb_buffer_types::fb_buffer_release
Cqs_fb_buffer_types::fb_buffer_replace
Cqs_fb_com_tasks_types::fb_com_atom_pairs_obj	Defines a fb_com_atom_pairs object
Cqs_fb_com_tasks_types::fb_com_tasks_obj	Defines a fb_com_tasks object
Cqs_fb_env_types::fb_env_obj	Object container which allows for the creation of an array of pointers to fb_env
Cqs_fb_hash_table_types::fb_hash_table_obj	Object container which allows for the creation of an array of pointers to fb_hash_table objects
Cqs_fb_matrix_data_types::fb_matrix_data_obj	Object container which allows for the creation of an array of pointers to fb_matrix_data objects
Cqs_fb_trial_fns_types::fb_trial_fns_obj	Object container which allows for the creation of an array of pointers to fb_trial_fns objects
Cfft_tools::fft3d
Cfft_plan::fft_plan_type
Cfft_tools::fft_scratch_pool_type
Cfft_tools::fft_scratch_sizes
Cfft_tools::fft_scratch_type
Cfftw3_lib::fftw_alloc
Cfftw3_lib::fftw_dealloc
Cutil::find_boundary
Cfist_efield_types::fist_efield_type
Cfist_energy_types::fist_energy_type
Cfist_environment_types::fist_environment_type
Cfist_neighbor_list_types::fist_neighbor_type
Cfist_nonbond_env_types::fist_nonbond_env_type
Cexternal_potential_types::fist_potential_type
Cmolecule_kind_types::fixd_constraint_type
Coptimize_basis_types::flex_basis_type
Ccp_fm_pool_types::fm_pools_create_fm_vect
Ccp_fm_pool_types::fm_pools_give_back_fm_vect
Cforce_env_types::force_env_p_type	Allows for the creation of an array of force_env
Cforce_env_types::force_env_type	Wrapper to abstract the force evaluation of the various methods
Cforce_field_types::force_field_type
Cai_contraction::force_trace
Cfp_types::fp_type
Cfree_energy_types::free_energy_type
Cpair_potential_types::ft_pot_type
Cqs_kernel_types::full_kernel_env_type	Collection of variables required to evaluate adiabatic TDDFPT kernel
Cmolecule_kind_types::g3x3_constraint_type
Cmolecule_kind_types::g4x6_constraint_type
Cpair_potential_types::gal21_pot_type
Cpair_potential_types::gal_pot_type
Ccp_control_types::gapw_control_type
Caverages_types::get_averages
Cgroup_dist_types::get_group_dist
Crt_bse::get_hartree
Cdbt_array_list_methods::get_ith_array
Cqs_integral_utils::get_memory_usage
Cqs_harmonics_atom::get_none0_cg_list
Cspme::get_patch
Cexternal_potential_types::get_potential
Ccp_result_methods::get_results
Crt_bse::get_sigma
Cglbopt_master::glbopt_master_type
Cmdctrl_types::glbopt_mdctrl_data_type
Cglbopt_worker::glbopt_worker_type
Cgle_system_types::gle_type
Cmolecule_types::global_constraint_type
Cglobal_types::global_environment_type	Initially parsed file and the initial parallel environment
Ctmc_tree_types::global_tree_type
Cgopt_f_types::gopt_f_type	Calculates the potential energy of a system, and its derivatives
Cgopt_param_types::gopt_param_type
Crocm_backend::gpu_vector< T >
Crocm_backend::gpu_vector< double * >
Crocm_backend::gpu_vector< double >
Crocm_backend::gpu_vector< int >
Crocm_backend::gpu_vector< rocm_backend::task_info >
Cgraphcon::graph_type
Cnegf_green_cache::green_functions_cache_type	Storage to keep surface Green's functions
Cpw_poisson_types::greens_fn_type	All the informations needed by the fft based poisson solvers
Cqs_grid_atom::grid_atom_type
Cgrid_basis_set	Internal representation of a basis set
Cgrid_api::grid_basis_set_type
Cgrid_context_
Cgrid_cpu_layout	Internal representation of a grid layout
Cgrid_cpu_task	Internal representation of a task
Cgrid_cpu_task_list	Internal representation of a task list
Crocm_backend::grid_info< T >
Cgrid_library_config	Configuration of the grid library
Cgrid_library_globals
Cgrid_ref_layout	Internal representation of a grid layout
Cgrid_ref_task	Internal representation of a task
Cgrid_ref_task_list	Internal representation of a task list
Cgrid_sphere_cache	Struct holding the entire sphere cache, ie. for all grids
Cgrid_sphere_cache_entry	Struct holding the sphere cache for one grid as specified by dr[3]
Cgrid_task_list	Internal representation of a task list, abstracting various backends
Cgrid_api::grid_task_list_type
Cgaussian_gridlevels::gridlevel_info_type
Cforce_field_types::gromos_info_type
Cgroup_dist_types::group_dist_d0_type
Cgroup_dist_types::group_dist_d1_type
Ctmc_tree_types::gt_elem_list_type
Cexternal_potential_types::gth_potential_p_type
Cexternal_potential_types::gth_potential_type
Cbasis_set_types::gto_basis_set_p_type
Cbasis_set_types::gto_basis_set_type
Ccp_control_types::hairy_probes_type
Cqs_harmonics_atom::harmonics_atom_type
Cqs_harris_types::harris_energy_type
Cqs_harris_types::harris_rhoin_type
Cqs_harris_types::harris_type	Contains information on the Harris method
Chartree_local_types::hartree_local_type
Chelium_types::helium_solvent_p_type	Data structure for array of solvent helium environments
Chelium_types::helium_solvent_type	Data structure for solvent helium
Chfx_types::hfx_2d_map
Chfx_types::hfx_basis_info_type
Chfx_types::hfx_basis_type
Chfx_types::hfx_block_range_type
Chfx_types::hfx_cache_type
Chfx_types::hfx_cell_type
Chfx_types::hfx_compression_type
Chfx_types::hfx_container_type
Chfx_types::hfx_distribution
Chfx_types::hfx_general_type
Chfx_types::hfx_load_balance_type
Chfx_types::hfx_memory_type
Chfx_types::hfx_p_kind
Chfx_types::hfx_pgf_list
Chfx_types::hfx_pgf_product_list
Chfx_types::hfx_potential_type
Chfx_types::hfx_ri_type
Chfx_types::hfx_screen_coeff_type
Chfx_types::hfx_screening_type
Chfx_types::hfx_task_list_type
Chfx_types::hfx_type	Stores some data used in construction of Kohn-Sham matrix
Cmetadynamics_types::hills_env_type	Defines types for HILLS
Cqs_cdft_types::hirshfeld_constraint_type
Chirshfeld_types::hirshfeld_type	Quantities needed for a Hirshfeld based partitioning of real space
Cglbopt_history::history_fingerprint_type
Cglbopt_history::history_type
Ciao_analysis::iao_calculate_dmat
Ciao_types::iao_env_type
Ccp_parser_ilist_types::ilist_type
Crpa_im_time_force_types::im_time_force_type
Cforce_field_kind_types::impr_kind_type
Cmolecule_kind_types::impr_type
Cexternal_potential_types::init_potential
Cdomain_submatrix_methods::init_submatrices
Ccp_parser_inpp_types::inpp_type
Cforce_field_types::input_info_type
Chelium_types::int_arr_ptr	A pointer to an integer array, data type to be used in arrays of pointers
Clri_environment_types::int_container
Clri_integrals::int_type
Csubmatrix_types::intbuffer_type
Cmp2_types::integ_mat_buffer_type
Cmp2_types::integ_mat_buffer_type_2d
Catom_utils::integrate_grid
Cintegration_grid_types::integration_grid_type
Cintegration_grid_types::integration_grid_value_type
CInterval
Cmathlib::invert_matrix
Cpair_potential_types::ipbv_pot_type
Cipi_environment_types::ipi_environment_type	The i–PI environment
Cqs_linres_types::issc_env_type
Cqs_linres_types::jrho_atom_type
Cqs_kernel_types::kernel_env_type	Type to hold environments for the different kernels
Crocm_backend::kernel_params	Parameters of the collocate kernel
Cinput_keyword_types::keyword_p_type	Represent a pointer to a keyword (to make arrays of pointers)
Cinput_keyword_types::keyword_type	Represent a keyword in the input
Ckg_environment_types::kg_environment_type	Contains all the info needed for KG runs..
Ckpoint_types::kind_rotmat_type	Rotation matrices for basis sets
Ckpoint_types::kpoint_env_p_type
Ckpoint_types::kpoint_env_type	Keeps information about a specific k-point
Ckpoint_types::kpoint_sym_type	Keeps symmetry information about a specific k-point
Ckpoint_transitional::kpoint_transitional_type
Ckpoint_types::kpoint_type	Contains information about kpoints
Cqs_scf_types::krylov_space_type	Wrapper for temporary and cached objects used in the scf iteration
Calmo_scf_lbfgs_types::lbfgs_history_type
Crocm_backend::ldiffs_value	Differences in angular momentum
Cforce_field_kind_types::legendre_data_type
Cpexsi_types::lib_pexsi_env	All PEXSI related data
Clibgrpp::libgrpp_finalize
Clibgrpp_grpp_t
Clibgrpp::libgrpp_init
Clibgrpp_parameters_t
Clibgrpp_potential_t
Clibgrpp::libgrpp_set_angular_screening_tolerance
Clibgrpp::libgrpp_set_cartesian_order
Clibgrpp::libgrpp_set_default_parameters
Clibgrpp::libgrpp_set_modified_bessel_tolerance
Clibgrpp::libgrpp_set_radial_tolerance
Clibgrpp_shell_t
Clibgrpp::libgrpp_spin_orbit_integrals
Clibgrpp::libgrpp_spin_orbit_integrals_gradient
Clibgrpp::libgrpp_type1_integrals
Clibgrpp::libgrpp_type1_integrals_gradient
Clibgrpp::libgrpp_type2_integrals
Clibgrpp::libgrpp_type2_integrals_gradient
Clibint_2c_3c::libint_potential_type
Clinesearch::linesearch_type
Cqs_linres_types::linres_control_type	General settings for linear response calculations
Clist_callstackentry::list_callstackentry_type
Clist::list_destroy
Clist::list_get
Clist::list_init
Clist::list_isready
Clist::list_peek
Clist::list_pop
Clist::list_push
Clist_routinereport::list_routinereport_type
Clist_routinestat::list_routinestat_type
Clist::list_size
Clist_timerenv::list_timerenv_type
Csockets_interface::listen_socket
Cextended_system_types::lnhc_parameters_type
Cqs_neighbor_lists::local_atoms_type
Cmolecule_types::local_colvar_constraint_type
Cmolecule_types::local_constraint_type
Cmolecule_kind_types::local_fixd_constraint_type
Cmolecule_types::local_g3x3_constraint_type
Cmolecule_types::local_g4x6_constraint_type
Clocal_gemm_api::local_gemm_ctxt_type
Cexternal_potential_types::local_potential_type
Cqs_local_rho_types::local_rho_type
Cmolecule_types::local_states_type
Cqs_loc_types::localized_wfn_control_type	A type that holds controlling information for the calculation of the spread of wfn and the optimization of the spread functional
Clri_environment_types::lri_density_type
Clri_environment_types::lri_environment_type
Clri_environment_types::lri_force_type
Clri_environment_types::lri_int_rho_type
Clri_environment_types::lri_int_type
Clri_environment_types::lri_kind_type
Clri_environment_types::lri_list_type
Clri_optimize_ri_basis_types::lri_opt_type
Clri_environment_types::lri_rhoab_type
Cdm_ls_scf_types::ls_mstruct_type
Cdm_ls_scf_types::ls_scf_curvy_type
Cdm_ls_scf_types::ls_scf_env_type
Cmachine::m_cpuid_static	Target architecture or instruction set extension according to compiler target flags
Cmachine::m_omp_trace_issues	Trace OpenMP constructs if ennvironment variable CP2K_OMP_TRACE=1
Carnoldi_types::m_x_v_vectors_type
Cqs_mo_methods::make_basis_sv
Cextended_system_types::map_info_type
Cpw_grid_types::map_pn
Ccp_control_types::maxwell_control_type
Cmc_types::mc_averages_p_type
Cmc_types::mc_averages_type
Cmc_types::mc_ekin_type
Cmc_environment_types::mc_environment_p_type
Cmc_environment_types::mc_environment_type
Cmc_types::mc_input_file_type
Cmc_types::mc_molecule_info_type
Cmc_types::mc_moves_p_type
Cmc_types::mc_moves_type
Cmc_types::mc_simpar_type
Cmc_types::mc_simulation_parameters_p_type
Cadmm_dm_types::mcweeny_history_type
Cmd_ener_types::md_ener_type
Cmd_environment_types::md_environment_type
Cmdctrl_types::mdctrl_type
Cgraph_utils::mep_input_data_type
Cmetadynamics_types::meta_env_type	Defines meta_env type
Cmetadynamics_types::metavar_type	Defines types for COLVAR used in the metadynamics
Cglbopt_mincrawl::mincrawl_type
Cglbopt_minhop::minhop_type
Cmixed_cdft_types::mixed_cdft_settings_type	Container for constraint settings to check consistency of force_evals
Cmixed_cdft_types::mixed_cdft_type	Main mixed CDFT control type
Cmixed_energy_types::mixed_energy_type
Cmixed_environment_types::mixed_environment_type
Cmixed_energy_types::mixed_force_type
Cqs_density_mixing_types::mixing_storage_type
Cmmd_data
Cqs_mo_types::mo_set_p_type
Cqs_mo_types::mo_set_type
Cmscfg_types::molecular_scf_guess_env_type
Cmolecule_kind_list_types::molecule_kind_list_p_type	Pointer to a list
Cmolecule_kind_list_types::molecule_kind_list_type	Represent a list of objects
Cmolecule_kind_types::molecule_kind_type
Cmolecule_list_types::molecule_list_p_type	Pointer to a list
Cmolecule_list_types::molecule_list_type	Represent a list of objects
Cmolecule_types::molecule_type
Cmolsym::molsym_type	Container for information about molecular symmetry
Cmp2_types::mp2_biel_type
Cmp2_eri::mp2_eri_force
Cmp2_types::mp2_type
Cmessage_passing::mp_allocate
►Cmessage_passing::mp_comm_type
►Cmessage_passing::mp_cart_type
Cmessage_passing::mp_para_cart_type	Represent a multidimensional parallel environment
Cmessage_passing::mp_para_env_type	Stores all the informations relevant to an mpi environment
Cmessage_passing::mp_deallocate
Cmessage_passing::mp_file_descriptor_type
Cmessage_passing::mp_file_type
Cmessage_passing::mp_info_type
Cmessage_passing::mp_para_env_p_type	Represent a pointer to a para env (to build arrays)
Cmp_perf_env::mp_perf_env_type
Cmessage_passing::mp_request_type
Cmessage_passing::mp_testall
Cmessage_passing::mp_testany
Cmessage_passing::mp_type_descriptor_type
Cmessage_passing::mp_type_make
Cmessage_passing::mp_waitall
Cmessage_passing::mp_win_type
Cqs_rho0_types::mpole_gau_overlap
Cqs_rho0_types::mpole_rho_atom
Cmulliken::mulliken_charges
Ccp_control_types::mulliken_restraint_type
Cmetadynamics_types::multiple_walkers_type	Defines types for multiple walkers run
Cdomain_submatrix_methods::multiply_submatrices
Cmultipole_types::multipole_type	Define multipole type
Cqs_linres_types::nablavks_atom_type
Cdbt_index::nd_to_2d_mapping
Csemi_empirical_mpole_types::nddo_mpole_type	Global Multipolar NDDO information type
Cneb_types::neb_type
Cneb_types::neb_var_type
Cnegf_alloc_types::negf_allocatable_imatrix	Allocatable 2-D integer matrix
Cnegf_alloc_types::negf_allocatable_ivector	Allocatable 1-D integer vector
Cnegf_alloc_types::negf_allocatable_rmatrix	Allocatable 2-D real matrix
Cnegf_alloc_types::negf_allocatable_rvector	Allocatable 1-D real vector
Cnegf_atom_map::negf_atom_map_type	Structure that maps the given atom in the sourse FORCE_EVAL section with another atom from the target FORCE_EVAL section
Cnegf_control_types::negf_control_contact_type	Input parameters related to a single contact
Cnegf_control_types::negf_control_type	Input parameters related to the NEGF run
Cnegf_env_types::negf_env_contact_type	Contact-specific NEGF environment
Cnegf_env_types::negf_env_type	NEGF environment
Cnegf_subgroup_types::negf_subgroup_env_type	Parallel (sub)group environment
Cxtb_potentials::neighbor_atoms_type
Cfist_neighbor_list_types::neighbor_kind_pairs_type
Cqs_tensors_types::neighbor_list_3c_iterator_type
Cqs_tensors_types::neighbor_list_3c_type
Cqs_neighbor_list_types::neighbor_list_iterator_p_type
Cqs_neighbor_list_types::neighbor_list_p_type
Cqs_neighbor_list_types::neighbor_list_set_p_type
Cqs_neighbor_list_types::neighbor_list_set_type
Cqs_neighbor_list_types::neighbor_list_task_type
Cfist_nonbond_env_types::nequip_data_type
Cpair_potential_types::nequip_pot_type
Cqs_nl_hash_table_types::nl_hash_table_obj	Object container which allows for the creation of an array of pointers to nl_hash_table objects
Cqs_neighbor_list_types::nl_sub_iterate
Cqs_linres_types::nmr_env_type
Cnnp_environment_types::nnp_acsf_ang_type	Set of angular symmetry function type
Cnnp_environment_types::nnp_acsf_rad_type	Set of radial symmetry function type
Cnnp_environment_types::nnp_arc_type	Data type for artificial neural networks
Cnnp_environment_types::nnp_neighbor_type	Contains neighbors list of an atom
Cnnp_environment_types::nnp_type	Main data type collecting all relevant data for neural network potentials
Cpint_types::normalmode_env_type	Data to perform the normalmode transformation
Cextended_system_types::npt_info_type
Cqs_o3c_types::o3c_container_type
Cqs_o3c_types::o3c_iterator_type
Cqs_o3c_types::o3c_vec_type
Cqs_oce_types::oce_matrix_type
Coffload_buffer	Internal representation of a buffer
Coffload_api::offload_buffer_type
Coffload_memchunk	Private struct for storing a chunk of memory
Coffload_mempool	Private struct for storing a memory pool
Coffload_mempool_stats_t	Internal struct for pool statistics
Cintegrator_utils::old_variables_type
Cmp2_types::one_dim_int_array
Cmp2_types::one_dim_real_array
Cforce_field_kind_types::opbend_kind_type
Cmolecule_kind_types::opbend_type
Csockets_interface::open_bind_socket
Csockets_interface::open_connect_socket
Catom_types::opgrid_type	Operator grids
Catom_types::opmat_type	Operator matrices
Cembed_types::opt_dmfet_pot_type	Type containing main data for matrix embedding potential optimization
Cembed_types::opt_embed_pot_type	Type containing main data for embedding potential optimization
Cpowell::opt_state_type
Calmo_scf_types::optimizer_options_type
Corbital	Orbital angular momentum
Crocm_backend::orbital	Orbital angular momentum
Corbital_transformation_matrices::orbrotmat_type
Couter_scf_control_types::outer_scf_control_type	Parameters needed by a scf run
Cpab_computation_struct_
Ctmc_analysis_types::pair_correl_type
Chfx_types::pair_list_element_type
Chfx_types::pair_list_type
Cmp2_types::pair_list_type_mp2
Cpair_potential_types::pair_potential_p_type
Cpair_potential_types::pair_potential_pp_type
Cpair_potential_types::pair_potential_single_type
Chfx_types::pair_set_list_type
Cqs_kind_types::pao_descriptor_type	Holds information about a PAO descriptor
Cpao_types::pao_env_type
Cpao_io::pao_ioblock_type
Cpao_io::pao_iokind_type
Cpao_types::pao_model_type	PAO-ML model for a single atomic kind
Cqs_kind_types::pao_potential_type	Holds information about a PAO potential
Cparallel_gemm_api::parallel_gemm
Ccp_parser_methods::parser_get_object
Cparticle_list_types::particle_list_p_type	Pointer to a list
Cparticle_list_types::particle_list_type	Represent a list of objects
Cparticle_types::particle_type
Cpaw_proj_set_types::paw_proj_set_type
Ccell_types::pbc
Cpint_types::piglet_therm_type	Data to use the piglet thermostat
Cpint_types::pile_therm_type	Data to use the pile thermostat
Cpint_types::pint_env_type	Environment for a path integral run
Cplan_t	Private struct used for planing during pack_matrix
Cqs_linres_types::polar_env_type
Cfist_nonbond_env_types::pos_type
Cpost_scf_bandstructure_types::post_scf_bandstructure_type
Cpreconditioner_types::preconditioner_p_type
Cpreconditioner_types::preconditioner_type
Cprepare_ldiffs	Differences in angular momentum
Cprocess_ldiffs	Differences in angular momentum
Ccp_control_types::proj_mo_type
Cps_implicit_types::ps_implicit_parameters
Cps_implicit_types::ps_implicit_type
Cps_wavelet_types::ps_wavelet_type
Citerate_matrix::purify_mcweeny
Ccp_result_methods::put_results
Cpw_methods::pw_axpy
Cpw_types::pw_c1d_gs_p_type
Cpw_types::pw_c1d_gs_type
Cpw_types::pw_c1d_rs_p_type
Cpw_types::pw_c1d_rs_type
Cpw_types::pw_c3d_gs_p_type
Cpw_types::pw_c3d_gs_type
Cpw_types::pw_c3d_rs_p_type
Cpw_types::pw_c3d_rs_type
Cpw_methods::pw_copy
Cpw_methods::pw_copy_from_array
Cpw_methods::pw_copy_to_array
Cpw_env_types::pw_env_type	Contained for different pw related things
Cpw_methods::pw_gather
Cpw_grids::pw_grid_create
Cpw_grid_types::pw_grid_type
Cpw_methods::pw_integral_a2b
Cpw_methods::pw_integral_ab
Cpw_methods::pw_integrate_function
Cpw_methods::pw_multiply
Cpw_methods::pw_multiply_with
Cpw_poisson_types::pw_poisson_parameter_type	Parameters for the poisson solver independet of input_section
Cpw_poisson_methods::pw_poisson_rebuild
Cpw_poisson_methods::pw_poisson_solve
Cpw_poisson_types::pw_poisson_type	Environment for the poisson solver
Cpw_pool_types::pw_pool_p_type	To create arrays of pools
Cpw_pool_types::pw_pool_type	Manages a pool of grids (to be used for example as tmp objects), but can also be used to instantiate grids that are never given back
Cpw_pool_types::pw_pools_create_pws
Cpw_pool_types::pw_pools_give_back_pws
Cpw_types::pw_r1d_gs_p_type
Cpw_types::pw_r1d_gs_type
Cpw_types::pw_r1d_rs_p_type
Cpw_types::pw_r1d_rs_type
Cpw_types::pw_r3d_gs_p_type
Cpw_types::pw_r3d_gs_type
Cpw_types::pw_r3d_rs_p_type
Cpw_types::pw_r3d_rs_type
Cpw_methods::pw_scale
Cpw_methods::pw_scatter
Cpw_methods::pw_set
Cpw_spline_utils::pw_spline_precond_type	Stores information for the preconditioner used to calculate the coeffs of splines
Cpw_methods::pw_transfer
Cpw_methods::pw_write
Cpw_methods::pw_zero
Cpwdft_environment_types::pwdft_energy_type	The PWDFT energy type
Cpwdft_environment_types::pwdft_environment_type	The PWDFT environment type
Cqcschema::qcschema_type	The full QCSchema output type. For more information refer to: https://molssi-qc-schema.readthedocs.io/en/latest/spec_components.html#output-components
Cqmmm_types_low::qmmm_env_mm_type	..
Cqmmm_types_low::qmmm_env_qm_type	..
Cqmmm_types::qmmm_env_type
Cqmmm_gaussian_types::qmmm_gaussian_p_type	Represent a pointer to a qmmm_gaussian_type, to be able to create arrays of pointers
Cqmmm_gaussian_types::qmmm_gaussian_type
Cqmmm_types_low::qmmm_imomm_link_type	LINKs IMOMM
Cqmmm_types_low::qmmm_links_type	LINKs summary
Cqmmm_types_low::qmmm_per_pot_p_type
Cqmmm_types_low::qmmm_per_pot_type	Periodic Potential
Cqmmm_types_low::qmmm_pot_p_type
Cqmmm_types_low::qmmm_pot_type	Real Space Potential
Cqmmmx_types::qmmmx_env_type
Cqs_dispersion_types::qs_atom_dispersion_type
Cqs_charges_types::qs_charges_type	Container for information about total charges on the grids
Ccp_control_types::qs_control_type
Cqs_dftb_types::qs_dftb_atom_type
Cqs_dftb_types::qs_dftb_pairpot_type
Cqs_diis_types::qs_diis_buffer_type	Keeps a buffer with the previous values of s,p,k
Cqs_diis_types::qs_diis_buffer_type_kp	Build arrau of pointers to diis buffers in the k-point (complex full matrices) case
Cqs_diis_types::qs_diis_buffer_type_sparse	Build array of pointers to diis buffers for sparse matrix case
Cqs_dispersion_types::qs_dispersion_type
Cqs_energy_types::qs_energy_type
Cqs_environment_types::qs_environment_type
Cqs_force_types::qs_force_type
Cqs_gcp_types::qs_gcp_type
Cqs_kind_types::qs_kind_type	Provides all information about a quickstep kind
Cqs_kpp1_env_types::qs_kpp1_env_type	Environment that keeps the informations and temporary val to build the kpp1 kernel matrix
Cqs_ks_types::qs_ks_env_type	Calculation environment to calculate the ks matrix, holds all the needed vars. assumes that the core hamiltonian and energy are up to date
Cqs_ks_qmmm_types::qs_ks_qmmm_env_type	Calculation environment to calculate the ks_qmmm matrix, holds the QM/MM potential and all the needed variables to compute the QM/MM electrostatic 1-electron ks matrix assumes that the core hamiltonian and energy are up to date. v_metal_rspace is the potential at the metal sites within the image charge approach
Cqs_loc_types::qs_loc_env_type	All the info needed by quickstep to calculate the spread of a selected set of orbitals and if required to minimize or maximize the spread by rotation of the orbitals
Cqs_matrix_pools::qs_matrix_pools_type	Container for the pools of matrixes used by qs
Cqs_ot_types::qs_ot_settings_type	Notice, this variable needs to be copyable, needed for spins as e.g. in qs_ot_scf
Cqs_ot_types::qs_ot_type
Couter_scf_control_types::qs_outer_scf_type
Cqs_p_env_types::qs_p_env_type	Represent a qs system that is perturbed. Can calculate the linear operator and the rhs of the system of equations that needs to be solved for the perturbation
Cqs_rho_types::qs_rho_p_type
Cqs_rho_types::qs_rho_type	Keeps the density in various representations, keeping track of which ones are valid
Cqs_scf_types::qs_scf_env_type
Cqs_subsys_types::qs_subsys_type
Cqs_wf_history_types::qs_wf_history_p_type	To create arrays of pointers to qs_wf_history_type
Cqs_wf_history_types::qs_wf_history_type	Keeps track of the previous wavefunctions and can extrapolate them for the next step of md
Cqs_wf_history_types::qs_wf_snapshot_type	Represent a past snapshot of the wavefunction. some elements might not be associated (to spare memory) depending on how the snapshot was taken
Cpint_types::qtb_therm_type	Data to use the qtb thermostat
Cfist_nonbond_env_types::quip_data_type
Cpair_potential_types::quip_pot_type
Cradial_type1_grid_t
Cradial_type1_params_t
Cradial_type1_table_t
Cradial_type2_grid_t
Cradial_type2_params_t
Cradial_type2_table_t
Cbasis_set_types::read_gto_basis_set
Cexternal_potential_types::read_potential
Csockets_interface::readbuffer
Cmemory_utilities::reallocate
Crealspace_grid_types::realspace_grid_desc_p_type
Crealspace_grid_types::realspace_grid_desc_type
Crealspace_grid_types::realspace_grid_input_type
Crealspace_grid_types::realspace_grid_p_type
Crealspace_grid_types::realspace_grid_type
Creftraj_types::reftraj_msd_type
Creftraj_types::reftraj_type
Crel_control_types::rel_control_type	Parameters needed by a relativistic calculation
Cgroup_dist_types::release_group_dist
Cdomain_submatrix_methods::release_submatrices
Csockets_interface::remove_socket_file
Ctopology_util::reorder_structure
Creplica_types::replica_env_type	Keeps replicated information about the replicas
Cqs_rho0_types::rho0_atom_type
Cqs_rho0_types::rho0_mpole_type
Cqs_rho_atom_types::rho_atom_coeff
Cqs_rho_atom_types::rho_atom_type
Cqs_cneo_types::rhoz_cneo_type
Cqs_local_rho_types::rhoz_type
Ccp_control_types::rixs_control_type
Crixs_types::rixs_env_type
Cparallel_rng_types::rng_stream_p_type
Cparallel_rng_types::rng_stream_type
Csemi_empirical_types::rotmat_type	Rotation Matrix Type
Croutine_map::routine_map_item_type
Croutine_map::routine_map_type
Ctimings_base_type::routine_report_type
Ctimings_base_type::routine_stat_type
Cdbt_tas_global::rowcol_dist	Map matrix rows/cols to distribution rows/cols
Crpa_exchange::rpa_exchange_work_type
Crpa_grad::rpa_grad_type
Crpa_sigma_functional::rpa_sigma_type
Crsh_coef_table_t
Crt_propagation_types::rt_prop_type
Crt_bse_types::rtbse_env_type
Ccp_control_types::rtp_control_type
Ccp_control_types::s2_restraint_type
Cstring_utilities::s2a
Cnegf_green_methods::sancho_work_matrices_type
Csap_kind_types::sap_int_type
Ctip_scan_types::scanning_type
Ccp_control_types::sccs_control_type
Cscf_control_types::scf_control_type
Csemi_empirical_types::se_int_control_type
Csemi_empirical_types::se_int_screen_type	Store the value of the tapering function and possibly its derivative for screened integrals
Csemi_empirical_types::se_taper_type	Taper type use in semi-empirical calculations
Cinput_section_types::section_type	Represent a section of the input file
Cinput_section_types::section_vals_type	Stores the values of a section
Ccp_control_types::semi_empirical_control_type
Csemi_empirical_expns3_types::semi_empirical_expns3_p_type	1/R^3 expansion type: array of pointers
Csemi_empirical_mpole_types::semi_empirical_mpole_p_type	Semi-empirical integral multipole expansion type - pointer type
Csemi_empirical_mpole_types::semi_empirical_mpole_type	Semi-empirical integral multipole expansion type
Csemi_empirical_types::semi_empirical_p_type
Csemi_empirical_store_int_types::semi_empirical_si_type	Semi-empirical store integrals type
Csemi_empirical_types::semi_empirical_type	Semi-empirical type
Cintegrator_utils::set
Cmathlib::set_diag
Cqs_mo_occupation::set_mo_occupation
Cexternal_potential_types::set_potential
Cdomain_submatrix_methods::set_submatrices
Csubmatrix_types::set_type
Csubmatrix_types::setarray_type
Cexternal_potential_types::sgp_potential_p_type
Cexternal_potential_types::sgp_potential_type
Cshell_potential_types::shell_kind_type	Define the shell type
Cshell_potential_types::shell_p_type
Cmolecule_kind_types::shell_type
Cpair_potential_types::siepmann_pot_type
Csmeagol_matrix_utils::siesta_distrib_csc_struct_type	Sparsity pattern of replicated SIESTA compressed sparse column (CSC) matrices
Csimpar_types::simpar_type	Simulation parameter type for molecular dynamics
Cnegf_integr_simpson::simpsonrule_type	A structure to store data needed for adaptive Simpson's rule algorithm
Csmeagol_control_types::smeagol_control_type	SMEAGOL-related input parameters
Cscf_control_types::smear_type	Parameters needed by a scf run
Ccp_control_types::smeared_type
Crocm_backend::smem_parameters
Crocm_backend::smem_task< T >	Data needed for calculating the coefficients, forces, and stress
Crocm_backend::smem_task_reduced< T, T3 >	Data needed for collocate and integrate kernels
Cqs_tddfpt2_soc_types::soc_atom_env_type
Cqs_tddfpt2_soc_types::soc_env_type
Cutil::sort
Cutil::sort_unique
Cspace_groups_types::spgr_type
Csplines_types::spline_data_p_type
Csplines_types::spline_data_type	Data-structure that holds all needed information about a specific spline interpolation
Csplines_types::spline_environment_type
Csplines_types::spline_factor_type
Cpint_types::staging_env_type	Data to perform the staging transformation
Ccp_parser_status_types::status_type
Ccp_control_types::stda_control_type
Cqs_tddfpt2_stda_types::stda_env_type
Cbasis_set_types::sto_basis_set_type
Cstructure_factor_types::structure_factor_type
Csubcell_types::subcell_type
Csubmatrix_dissection::submatrix_dissection_type
Coptimize_basis_types::subset_type
Cqs_scf_types::subspace_env_type
Cdbt_tas_util::swap
Cswarm_master::swarm_master_type
Cswarm_message::swarm_message_add	Adds an entry from a swarm-message
Cswarm_message::swarm_message_get	Returns an entry from a swarm-message
Cswarm_message::swarm_message_type
Cswarm_mpi::swarm_mpi_type
Cswarm_worker::swarm_worker_type
Cpair_potential_types::tab_pot_type
Ctaper_types::taper_type	Taper type
Crocm_backend::task_info	Internal representation of a task
Ctask_list_types::task_list_type
Ctask_list_types::task_type
Ctblite_types::tblite_type
Ccp_control_types::tddfpt2_control_type
Crixs_types::tddfpt2_valence_type	Valence state coming from the qs_tddfpt2 routine
Cqs_tddfpt2_types::tddfpt_ground_state_mos	Ground state molecular orbitals
Cqs_tddfpt2_subgroups::tddfpt_subgroup_env_type	Parallel (sub)group environment
Cqs_tddfpt2_types::tddfpt_work_matrices	Set of temporary ("work") matrices
Ctensor_
Cpair_potential_types::tersoff_pot_type
Cthermal_region_types::thermal_region_type
Cthermal_region_types::thermal_regions_type
Cthermostat_types::thermostat_info_type
Cthermostat_types::thermostat_type
Cthermostat_types::thermostats_type	Define thermostat types
Cmp2_types::three_dim_real_array
Cdirichlet_bc_types::tile_p_type
Cdirichlet_bc_types::tile_type
Ctimings_types::timer_env_type
Ctmc_analysis_types::tmc_ana_list_type
Ctmc_analysis_types::tmc_analysis_env
Ctmc_types::tmc_atom_type
Ctmc_types::tmc_comp_set_type
Ctmc_types::tmc_env_type
Ctmc_move_types::tmc_move_type
Ctmc_types::tmc_param_type
Cintegrator_utils::tmp_variables_type
Ctopology_types::topology_parameters_type
Ctorch_api::torch_dict_type
Ctorch_api::torch_model_get_attr
Ctorch_api::torch_model_type
Ctorch_api::torch_tensor_data_ptr
Ctorch_api::torch_tensor_from_array
Ctorch_api::torch_tensor_type
Cforce_field_kind_types::torsion_kind_type
Cmolecule_kind_types::torsion_type
Cpao_types::training_matrix_type
Ctransport_env_types::transport_env_type
Ctmc_tree_types::tree_type
Cmp2_types::two_dim_int_array
Cmp2_types::two_dim_real_array
Cforce_field_kind_types::ub_kind_type
Cmolecule_kind_types::ub_type
Cfree_energy_types::ui_var_type
Cmathlib::unit_matrix
Cintegrator_utils::update_pv
Csockets_interface::uwait
Cinput_val_types::val_p_type	Pointer to a val, to create arrays of pointers
Cinput_val_types::val_type	Type to have a wrapper that stores any basic fortran type
Cqs_linres_types::vcd_env_type
Cgraphcon::vertex
Cvirial_types::virial_p_type
Cvirial_types::virial_type
Cmolecule_kind_types::vsite_constraint_type
Cwannier_states_types::wannier_centres_type
Cexstates_types::wfn_history_type
Cexternal_potential_types::write_potential
Csockets_interface::writebuffer
Cxas_tdp_types::xas_atom_env_type	Environment type that contains all the info needed for XAS_TDP atomic grid calculations
Cxas_control::xas_control_type	A type that holds controlling information for a xas calculation
Cxas_env_types::xas_environment_type
Cxas_tdp_types::xas_tdp_control_type	Type containing control information for TDP XAS calculations
Cxas_tdp_types::xas_tdp_env_type	Type containing informations such as inputs and results for TDP XAS calculations
Cxc_derivative_types::xc_derivative_p_type	Represent a pointer to a derivative (to have arrays of derivatives)
Cxc_derivative_set_types::xc_derivative_set_type	A derivative set contains the different derivatives of a xc-functional in form of a linked list
Cxc_derivative_types::xc_derivative_type	Represent a derivative of a functional
Cxc_util::xc_pw_derive
Cxc_util::xc_pw_laplace
Cxc_rho_cflags_types::xc_rho_cflags_type	Flag for each component of xc_rho_set, so that you can use it to tell which components you need, which ones you need,...
Cxc_rho_set_types::xc_rho_set_type	Represent a density, with all the representation and data needed to perform a functional evaluation
Cxtb_types::xtb_atom_type
Ccp_control_types::xtb_control_type
Cspherical_harmonics::y_lm