#include <basisinfo.h>
◆ centerCoords
Referenced by compute_K_by_boxes(), compute_operator_matrix_sparse(), compute_T_matrix_sparse_linear(), create_mtx_files_with_different_orderings(), SCF_unrestricted::do_spin_flip(), get_basis_func_pair_list_1el_for_V(), get_basis_func_pair_list_2el(), get_basis_func_pair_list_simple(), get_list_of_labeled_distrs(), get_list_of_labeled_distrs_maxLimitingFactor(), get_maxLimitingFactor(), get_mulliken_charges(), get_product_distrs(), get_simple_primitives(), getMatrixPermutation(), getMatrixPermutationOnlyFactor2(), getSafeMaxDistance(), SquareFuncIntegrator::getShellFactor(), BasisInfoStruct::normalizeShells(), and write_basis_func_coord_file().
◆ coeffList
◆ exponentList
◆ extent
◆ functionNumber
int BasisFuncStruct::functionNumber |
◆ noOfContr
int BasisFuncStruct::noOfContr |
◆ noOfSimplePrimitives
int BasisFuncStruct::noOfSimplePrimitives |
Referenced by compute_extent_for_all_basis_funcs_1el(), compute_extent_for_all_basis_funcs_core(), compute_T_matrix_sparse_linear(), compute_V_matrix_full(), get_basis_func_extent_list(), get_largest_simple_integral(), ExponentList::get_list_of_available_exponents(), get_M(), get_max_basis_func_abs_value(), get_product_simple_primitives(), and BasisInfoStruct::getSimplePrimitivesAll().
◆ noOfTermsInPolynomial
int BasisFuncStruct::noOfTermsInPolynomial |
◆ poly
◆ shellType
int BasisFuncStruct::shellType |
◆ simplePrimitiveIndex
int BasisFuncStruct::simplePrimitiveIndex |
Referenced by compute_extent_for_all_basis_funcs_1el(), compute_extent_for_all_basis_funcs_core(), compute_T_matrix_sparse_linear(), compute_V_matrix_full(), get_basis_func_extent_list(), get_largest_simple_integral(), ExponentList::get_list_of_available_exponents(), get_M(), get_max_basis_func_abs_value(), get_product_simple_primitives(), and BasisInfoStruct::getSimplePrimitivesAll().
The documentation for this struct was generated from the following file: