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MPQC
3.0.0-alpha
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This is the complete list of members for sc::UncontractedBasisSet, including all inherited members.
| basisdim() | sc::GaussianBasisSet | inline |
| class_desc() const MPQC__NOEXCEPT | sc::DescribedClass | |
| class_name() const | sc::DescribedClass | |
| class_version() const | sc::DescribedClass | |
| dereference() | sc::RefCount | inline |
| DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | |
| DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState) | sc::SavableState | static |
| equiv(const Ref< GaussianBasisSet > &b) | sc::GaussianBasisSet | |
| find(int C, const GaussianShell &S) const | sc::GaussianBasisSet | |
| function_to_shell(int i) const | sc::GaussianBasisSet | |
| GaussianBasisSet() (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | protected |
| GaussianBasisSet(const Ref< KeyVal > &) | sc::GaussianBasisSet | |
| GaussianBasisSet(const Ref< Molecule > &molecule, const std::vector< GaussianShell > &shells, const std::vector< unsigned int > &shell_to_center, std::string name=std::string(), std::string label=std::string()) | sc::GaussianBasisSet | |
| GaussianBasisSet(const GaussianBasisSet &) (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | |
| GaussianBasisSet(StateIn &si) | sc::GaussianBasisSet | |
| grad_shell_values(const SCVector3 &r, int sh, ValueData *, double *g_values, double *basis_values=0) const | sc::GaussianBasisSet | |
| grad_values(const SCVector3 &r, ValueData *, double *g_values, double *basis_values=0) const | sc::GaussianBasisSet | |
| has_pure() const | sc::GaussianBasisSet | inline |
| hessian_shell_values(const SCVector3 &r, int sh, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const | sc::GaussianBasisSet | |
| hessian_values(const SCVector3 &r, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const | sc::GaussianBasisSet | |
| identifier() const | sc::RefCount | inline |
| init(std::string name, std::string label, const Ref< Molecule > &molecule, const std::vector< Shell > &shell) | sc::GaussianBasisSet | protected |
| key_restore_state(StateIn &si, const char *keyword) | sc::SavableState | static |
| label() const | sc::GaussianBasisSet | inline |
| lock_ptr() const | sc::RefCount | |
| managed() const (defined in sc::RefCount) | sc::RefCount | inline |
| matrixkit() | sc::GaussianBasisSet | inline |
| max_am_for_contraction(int con) const | sc::GaussianBasisSet | |
| max_angular_momentum() const | sc::GaussianBasisSet | |
| max_cartesian() const | sc::GaussianBasisSet | |
| max_ncartesian_in_shell(int aminc=0) const | sc::GaussianBasisSet | |
| max_ncontraction() const | sc::GaussianBasisSet | |
| max_nfunction_in_shell() const | sc::GaussianBasisSet | |
| max_nprimitive_in_shell() const | sc::GaussianBasisSet | |
| molecule() const | sc::GaussianBasisSet | inline |
| molecule_ (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | protected |
| name() const | sc::GaussianBasisSet | inline |
| nbasis() const | sc::GaussianBasisSet | inline |
| nbasis_on_center(int icenter) const | sc::GaussianBasisSet | |
| ncenter() const | sc::GaussianBasisSet | |
| nprimitive() const | sc::GaussianBasisSet | inline |
| nreference() const | sc::RefCount | inline |
| nshell() const | sc::GaussianBasisSet | inline |
| nshell_on_center(int icenter) const | sc::GaussianBasisSet | |
| operator()(int i) const | sc::GaussianBasisSet | inline |
| operator()(int i) | sc::GaussianBasisSet | inline |
| operator()(int icenter, int ishell) const | sc::GaussianBasisSet | |
| operator()(int icenter, int ishell) | sc::GaussianBasisSet | |
| operator+(const Ref< GaussianBasisSet > &B) | sc::GaussianBasisSet | |
| operator=(const GaussianBasisSet &A) (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | |
| operator=(const SavableState &) (defined in sc::SavableState) | sc::SavableState | |
| operator=(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| operator=(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| operator[](int i) const | sc::GaussianBasisSet | inline |
| operator[](int i) | sc::GaussianBasisSet | inline |
| print(std::ostream &=ExEnv::out0()) const | sc::GaussianBasisSet | virtual |
| print_brief(std::ostream &=ExEnv::out0()) const | sc::GaussianBasisSet | |
| r(int icenter, int xyz) const | sc::GaussianBasisSet | |
| ref() | sc::DescribedClass | inline |
| RefCount() (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| reference() | sc::RefCount | inline |
| restore_state(StateIn &si) | sc::SavableState | static |
| SavableState() (defined in sc::SavableState) | sc::SavableState | protected |
| SavableState(const SavableState &) (defined in sc::SavableState) | sc::SavableState | protected |
| SavableState(StateIn &) | sc::SavableState | protected |
| save_data_state(StateOut &) | sc::UncontractedBasisSet | virtual |
| save_object_state(StateOut &) | sc::SavableState | |
| save_state(StateOut &) | sc::SavableState | |
| save_state(SavableState *s, StateOut &) (defined in sc::SavableState) | sc::SavableState | static |
| save_vbase_state(StateOut &) | sc::SavableState | virtual |
| set_matrixkit(const Ref< SCMatrixKit > &) (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | protectedvirtual |
| shell(int i) const | sc::GaussianBasisSet | inline |
| shell(int i) | sc::GaussianBasisSet | inline |
| shell(int i, int j) const | sc::GaussianBasisSet | inline |
| shell(int i, int j) | sc::GaussianBasisSet | inline |
| shell_on_center(int icenter, int shell) const | sc::GaussianBasisSet | |
| shell_to_center(int ishell) const | sc::GaussianBasisSet | inline |
| shell_to_function(int i) const | sc::GaussianBasisSet | inline |
| shell_values(const SCVector3 &r, int sh, ValueData *, double *basis_values) const | sc::GaussianBasisSet | |
| so_matrixkit() | sc::GaussianBasisSet | inline |
| uncontract(const Ref< GaussianBasisSet > &) (defined in sc::UncontractedBasisSet) | sc::UncontractedBasisSet | protected |
| UncontractedBasisSet(const Ref< KeyVal > &) | sc::UncontractedBasisSet | |
| UncontractedBasisSet(const Ref< GaussianBasisSet > &) | sc::UncontractedBasisSet | |
| UncontractedBasisSet(StateIn &) (defined in sc::UncontractedBasisSet) | sc::UncontractedBasisSet | |
| unit() | sc::GaussianBasisSet | static |
| unlock_ptr() const | sc::RefCount | |
| unmanage() | sc::RefCount | inline |
| use_locks(bool inVal) | sc::RefCount | |
| values(const SCVector3 &r, ValueData *, double *basis_values) const | sc::GaussianBasisSet | |
| ~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual |
| ~GaussianBasisSet() (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | virtual |
| ~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual |
| ~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual |