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sc::GaussianBasisSet Member List This is the complete list of members for sc::GaussianBasisSet, including all inherited members. basisdim() sc::GaussianBasisSet [inline] class_desc() const 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 function_to_shell(int i) const sc::GaussianBasisSet GaussianBasisSet(const GaussianBasisSet &) (defined in sc::GaussianBasisSet) sc::GaussianBasisSet [protected] GaussianBasisSet(const Ref< KeyVal > &) sc::GaussianBasisSet GaussianBasisSet(StateIn &) (defined in sc::GaussianBasisSet) 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 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() sc::Identity [inline] key_restore_state(StateIn &si, const char *keyword) sc::SavableState [static] lock_ptr() const sc::RefCount managed() const (defined in sc::RefCount) sc::RefCount [inline] managed() const 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 molecule() const sc::GaussianBasisSet [inline] 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 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 [inline, protected] 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 RefCount() (defined in sc::RefCount) sc::RefCount [inline, protected] RefCount(const RefCount &) (defined in sc::RefCount) sc::RefCount [inline, protected] 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::GaussianBasisSet [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 [protected, virtual] 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] 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] ~Identity() (defined in sc::Identity) sc::Identity [virtual] ~RefCount() (defined in sc::RefCount) sc::RefCount [virtual] ~SavableState() (defined in sc::SavableState) sc::SavableState [virtual]