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ergo
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This is the complete list of members for BasisInfoStruct, including all inherited members.
| addBasisfuncsForAtomList(const Atom *atomList, int noOfAtoms, const basisset_info &basissetDefault, int noOfRanges, const basis_set_range_struct *rangeList, const IntegralInfo &integralInfo, int print_raw, int do_normalization, int skip_sort_shells) | BasisInfoStruct | |
| addBasisfuncsForMolecule(const Molecule &molecule, const char *basisset_filename_default, int noOfRanges, const BasissetNameRange *rangeList, const IntegralInfo &integralInfo, int print_raw, int do_normalization, int skip_sort_shells) | BasisInfoStruct | |
| addBasisfuncsForPoint(ergo_real x, ergo_real y, ergo_real z, int shellType, ergo_real exponent, const IntegralInfo &integralInfo, int print_raw, int do_normalization, int skip_sort_shells) | BasisInfoStruct | |
| assign_from_buffer(char const *dataBuffer, size_t const bufferSize) | BasisInfoStruct | |
| basisFuncList | BasisInfoStruct | |
| BasisInfoStruct(int use_6_d_funcs_=0) | BasisInfoStruct | |
| BasisInfoStruct(const BasisInfoStruct &b) | BasisInfoStruct | |
| get_basis_funcs() | BasisInfoStruct | |
| get_size() const | BasisInfoStruct | |
| getNoOfBasisFuncsForAtomType(const basisset_info &basisset, const IntegralInfo &integralInfo, int atomCharge, int use_6_d_funcs) | BasisInfoStruct | static |
| getSimplePrimitivesAll(const IntegralInfo &integralInfo) | BasisInfoStruct | |
| noOfBasisFuncs | BasisInfoStruct | |
| noOfShells | BasisInfoStruct | |
| noOfSimplePrimitives | BasisInfoStruct | |
| normalizeShells(const IntegralInfo &integralInfo) | BasisInfoStruct | |
| permuteShells(const int *shellMap, const IntegralInfo &ii) const | BasisInfoStruct | |
| shellList | BasisInfoStruct | |
| simplePrimitiveList | BasisInfoStruct | |
| use_6_d_funcs | BasisInfoStruct | |
| write_to_buffer(char *dataBuffer, size_t const bufferSize) const | BasisInfoStruct | |
| ~BasisInfoStruct() | BasisInfoStruct |