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

[detail level 123]

Cutils_gbl::append_array
Carray_2d	2D array of reals
Cbasis_data_generic_gbl::basis_data_generic_obj
Catomic_basis_gbl::atomic_orbital_basis_obj
Cmolecular_basis_gbl::molecular_orbital_basis_obj
CBB_shell_mixed_integrals_gbl::BB_shell_integrals_obj	Object that can be used to evaluate the (BB\|BB) and the mixed BTO/CGTO 2-electron integrals (BG\|GG). This object can only be used once the grid_r1_r2 from grid_mod has been initialized
Cgeneral_quadrature::bound_user_function	This is a class that defines an abstract function, whose specific implementation is deferred. The purpose is to use this abstract function in some bspline-related routines which require a user-defined function as a parameters
Cbto_gto_test_routines_mod::BB_density_obj
Cbto_gto_test_routines_mod::BG_density_obj
Cbto_gto_test_routines_mod::GG_density_obj
Cvnl_module::vnl_integrand
Cgto_routines_gbl::boys_function_obj	This object contains routines for evaluation of the Boys function in double precision. The object must be first initialized using the method init and its argument values imax and mmax. imax corresponds to the largest power in series expansion of the Boys function that is needed to evaluate the Boys function in the expected range of T values. For T in the range 0,60 the value of imax has been determined to be 140. The routine eval then calculates at once the string of Boys functions for a range of m values
Cbspline_grid_gbl::bspline_grid_obj	Parameters of the B-spline orbital. The intention is that the user declares this type in the main progam and specifies: A, B, C, order, l,m and ind, no_bps. This object can then be passed to bspl_functioninit, which checks the parameters and initializes the parameters in the particular bspl_function. The default values of some of the variables below have been chosen so that an error will be triggered by the member procedure check if they have not been set to meaningful values
Cbspline_base_gbl::bvalu
Cspecial_functions_gbl::cfp_9gmic
Cspecial_functions_gbl::cfp_9gmit
Cspecial_functions_gbl::cfp_9lgic
Cspecial_functions_gbl::cfp_9lgit
Cspecial_functions_gbl::cfp_9lgmc
Cspecial_functions_gbl::cfp_besi
Cspecial_functions_gbl::cfp_besj
Cspecial_functions_gbl::cfp_binom
Cspecial_functions_gbl::cfp_csevl
Cspecial_functions_gbl::cfp_eval_poly_horner
Cspecial_functions_gbl::cfp_gamic
Cspecial_functions_gbl::cfp_gamlm
Cspecial_functions_gbl::cfp_gamma_fun
Cspecial_functions_gbl::cfp_gamma_slatec
Cspecial_functions_gbl::cfp_initds
Cspecial_functions_gbl::cfp_lgams
Cspecial_functions_gbl::cfp_lngam
Cspecial_functions_gbl::cfp_lnrel
Csort_gbl::cfp_sort_float_int_1d
Cbasis_data_generic_gbl::check_intf
Ccoupling_obj_gbl::couplings_type
Ccommon_obj_gbl::darray_1d	1D array of reals
Ccommon_obj_gbl::darray_2d
Cdata_file_gbl::data_file_obj	This object provides access to the data stored on the data file. The first record on the file is the identifier given by the constant data_file_obj_id. The next record is the number of data sets (headers) stored on the file. After that the header of the first (if any) data set follows
Cdata_file_gbl::data_header_obj	This structure contains the data defining the header for one data set stored on the data file
Cecp	Parameters for an Effective Core Potential for one nucleus
Ccommon_obj_gbl::ecp_obj
Cprecisn_gbl::f1mach	This function resolves into the particular routines depending on the type of the second dummy argument 'p' which specifies the data type for which the machine parameters are required
Cfile_mapping_gbl::file_mapping	An auxiliary derived type which holds the pointer to the mapped data file window and performs the mapping and unmapping on call to init or final
Cgeneral_quadrature_gbl::fn2d_eval_interface
Cgeneral_quadrature_gbl::function_1d	This is a class that defines an abstract function of one variable, whose specific implementation is deferred. The purpose is to use this abstract function in some bspline-related routines which require a user-defined function as a parameters
Cfunction_integration_gbl::bessel_fn	Bessel function \(J_{l+1/2}(kr)\), of half integral order \(l\) multiplied by \(r^{p}\): \(r^{p}J_{l+1/2}(kr)\). This function can be used to calculate representation of the Bessel orbital in terms of the B-spline orbitals
Cfunction_integration_gbl::bspl_prod_pow	\( B_{i}(r)r^l \) This function is used in calculation of the overlap integral between two B-spline functions
Cfunction_integration_gbl::poly_exp_function	\( r^{l}\exp[ar^{2}] \)
Cfunction_integration_gbl::power_function	\( r^{l} \)
Cfunction_integration_gbl::radial_function	A complicated radial function
Cfunction_integration_gbl::radial_function_buff	A complicated radial function that uses a supplied array to store the values of the Bessel functions. Note that this function is identical to radial_function except of 1.5_wp in one of the exponents
Cgeneral_quadrature_gbl::function_1d_many	The same as function_1d but now the function evaluations are for n points at the same time
Cfunction_integration_gbl::BB_legendre_integrand
Cgeneral_quadrature_gbl::function_2d	This is a class that defines an abstract function of two variables, whose specific implementation is deferred. The purpose is to use this abstract function in some bspline-related routines which require a user-defined function as a parameters
Csymmetry_gbl::geometry_obj	Input data for the symmetry_objinit routine
CGG_shell_mixed_integrals_gbl::GG_shell_integrals_obj	Object that can be used to evaluate mixed BTO/CGTO 2-electron integrals involving at least two shells of CGTOs, i.e. BBGG, BGBG and BGGG classes of integrals. This object can only be used once the grid_r1_r2 from grid_mod has been initialized
Cgrid_gbl::grid_r1_r2_obj
Ccommon_obj_gbl::iarray_1d	1D array of integers
Cbasis_data_generic_gbl::init_bdg_intf
Cintegral_data	Contains options that control numerical details of the integral calculation. This type can be extended for a particular type of integral calculations to include the options relevant only for those
Cintegral_storage_gbl::integral_options_obj
Cintegral_storage_gbl::integral_storage_obj	This object provides access to the results of an integral calculation. The object must be associated with the data which can be either in memory or on the disk. The association with the target is performed calling 'init' with the appropriate arguments. If the results are stored in memory then the array pointed to by the variable 'integral' must be associated with a target. If the integrals are stored on the disk then the object integral_file is used to provide access to the data. Note that neither integral_file nor integral are private variables. This is neccessary so that the integral routines can have direct (i.e. fast access) to the data
Cbspline_base_gbl::intrv
Cfile_mapping_gbl::map_file_window
Cmolden_gbl::molden_input_obj	This object contains the data and methods necessary to control input and output of basis set and MO data in the Molden format. The user starts interaction with this object by calling the init method. After that the type-bound methods (e.g. read, write, final) become available
Cmpi_memory_gbl::mpi_memory_allocate_integer
Cmpi_memory_gbl::mpi_memory_allocate_integer_2dim
Cmpi_memory_gbl::mpi_memory_allocate_real
Cmpi_memory_gbl::mpi_memory_allocate_real_2dim
Cmpi_memory_gbl::mpi_memory_deallocate_integer
Cmpi_memory_gbl::mpi_memory_deallocate_integer_2dim
Cmpi_memory_gbl::mpi_memory_deallocate_real
Cmpi_memory_gbl::mpi_memory_deallocate_real_2dim
Cmpi_gbl::mpi_mod_allgather
Cmpi_gbl::mpi_mod_allgatherv_in_place
Cmpi_gbl::mpi_mod_bcast
Cmpi_gbl::mpi_mod_file_read_cfp
Cmpi_gbl::mpi_mod_file_set_view
Cmpi_gbl::mpi_mod_file_write
Cmpi_gbl::mpi_mod_gatherv
Cmpi_gbl::mpi_mod_isend
Cmpi_gbl::mpi_mod_recv
Cmpi_gbl::mpi_mod_recv_dynamic
Cmpi_gbl::mpi_mod_rotate_arrays_around_ring
Cmpi_gbl::mpi_mod_rotate_cfp_arrays_around_ring
Cmpi_gbl::mpi_mod_scan_sum
Cmpi_gbl::mpi_mod_send
Cmpi_gbl::mpi_mod_send_dynamic
Cmpi_gbl::mpi_reduce_inplace_sum_cfp
Cmpi_gbl::mpi_reduce_sum
Cmpi_gbl::mpi_reduceall_inplace_sum_cfp
Cmpi_gbl::mpi_reduceall_max
Cmpi_gbl::mpi_reduceall_min
Cmpi_gbl::mpi_reduceall_sum_cfp
Cmpi_gbl::MPIBlockArray	Convenience MPI type wrapper with garbage collection
Cmpi_gbl::naive_mpi_reduce_inplace_sum
Ccommon_obj_gbl::nucleus_type
Cparallel_arrays_gbl::p2d_array_obj	This is an array object which is used to store the atomic and molecular integrals in memory. The primary data structure is the 2D array thisa(1:thisd1,1:thisd2). The object may use the auxiliary integer array thisblock_offset(1:thisno_blocks) as in the case of computation of the atomic integrals in the MPI regime. The use of the block_offset array is controled by the initialization routine init. Each column of thisa has a name which is contained in thiscolumn_descriptor(1:thisd2). The intention is that the different types of integrals (e.g. overlap, kinetic energy, etc.) are kept in different columns of the array thisa
Ccgto_pw_expansions_gbl::pw_expansion_obj
Ccgto_pw_expansions_gbl::CGTO_shell_pair_pw_expansion_obj
Ccgto_pw_expansions_gbl::CGTO_shell_pw_expansion_obj
Cspecial_functions_gbl::real_harmonics_obj	Object used to evaluate real spherical and solid harmonics
Cgto_routines_gbl::reorder_and_index_2el
Cutils_gbl::reserve_space
Ccommon_obj_gbl::resize_array
Cbasis_data_generic_gbl::shell_data_obj
Cbasis_data_generic_gbl::BTO_shell_data_obj
Cbasis_data_generic_gbl::CGTO_shell_data_obj
Cbasis_data_generic_gbl::orbital_data_obj
Csort_gbl::sort_int_1d
Csparse_block_storage_gbl::sparse_block_storage_obj	Storage of integral blocks
Cblas_lapack_gbl::syev	Interface for LAPACK dsyev routine and its quad precision implementation
Cblas_lapack_gbl::syevr	Interface for LAPACK dsyevr routine and its quad precision implementation
Cmolecular_basis_gbl::sym_ortho_io	This data structure is used for input/output by the method orthogonalize of the molecular_orbital_basis_obj
Csymmetry_gbl::symmetry_obj	This structure holds all necessary symmetry information on the symmetry of the molecule that can be used in the integral calculation
Cblas_lapack_gbl::trsm	Interface for LAPACK dtrsm routine and its quad precision implementation
Cfile_mapping_gbl::unmap_file_window
Cgeneral_quadrature::user_function_interface
Cgeneral_quadrature_gbl::wp_user_function_interface
Cgeneral_quadrature_gbl::wp_user_function_interface_many