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GaussianBasisSet Member List

This is the complete list of members for GaussianBasisSet, including all inherited members.

• basisdim() [inline]
• basisdim_ (defined in GaussianBasisSet) [private]
• center_to_nbasis_ (defined in GaussianBasisSet) [private]
• center_to_nshell_ (defined in GaussianBasisSet) [private]
• center_to_shell_ (defined in GaussianBasisSet) [private]
• class_desc() const
• class_name() const
• class_version() const
• dereference() [inline]
• DescribedClass() (defined in DescribedClass)
• DescribedClass(const DescribedClass &) (defined in DescribedClass)
• dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in SavableState) [static]
• equiv(const Ref< GaussianBasisSet > &b)
• function_to_shell(int i) const
• function_to_shell_ (defined in GaussianBasisSet) [private]
• GaussianBasisSet(const GaussianBasisSet &) (defined in GaussianBasisSet) [protected]
• GaussianBasisSet(const Ref< KeyVal > &)
• GaussianBasisSet(StateIn &) (defined in GaussianBasisSet)
• grad_shell_values(const SCVector3 &r, int sh, ValueData *, double *g_values, double *basis_values=0) const
• grad_values(const SCVector3 &r, ValueData *, double *g_values, double *basis_values=0) const
• hessian_shell_values(const SCVector3 &r, int sh, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const
• hessian_values(const SCVector3 &r, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const
• identifier() [inline]
• init(Ref< Molecule > &, Ref< KeyVal > &, BasisFileSet &, int have_userkeyval, int pure) (defined in GaussianBasisSet) [private]
• init2(int skip_ghosts=0) (defined in GaussianBasisSet) [private]
• key_restore_state(StateIn &si, const char *keyword) [static]
• lock_ptr() const
• managed() const (defined in RefCount) [inline]
• managed() const [inline]
• matrixkit() [inline]
• matrixkit_ (defined in GaussianBasisSet) [private]
• max_am_for_contraction(int con) const
• max_angular_momentum() const
• max_cartesian() const
• max_ncartesian_in_shell(int aminc=0) const
• max_ncontraction() const
• max_nfunction_in_shell() const
• molecule() const [inline]
• molecule_ (defined in GaussianBasisSet) [private]
• name() const [inline]
• name_ (defined in GaussianBasisSet) [private]
• nbasis() const [inline]
• nbasis_ (defined in GaussianBasisSet) [private]
• nbasis_on_center(int icenter) const
• ncenter() const
• ncenter_ (defined in GaussianBasisSet) [private]
• nprim_ (defined in GaussianBasisSet) [private]
• nprimitive() const [inline]
• nreference() const [inline]
• nshell() const [inline]
• nshell_ (defined in GaussianBasisSet) [private]
• nshell_on_center(int icenter) const
• operator()(int i) const [inline]
• operator()(int i) [inline]
• operator()(int icenter, int ishell) const
• operator()(int icenter, int ishell)
• operator=(const SavableState &) (defined in SavableState)
• operator=(const DescribedClass &) (defined in DescribedClass)
• operator=(const RefCount &) (defined in RefCount) [inline]
• operator[](int i) const [inline]
• operator[](int i) [inline]
• print(std::ostream &=ExEnv::out()) const [virtual]
• print_brief(std::ostream &=ExEnv::out()) const
• r(int icenter, int xyz) const
• recursively_get_shell(int &, Ref< KeyVal > &, const char *, const char *, BasisFileSet &, int, int, int) (defined in GaussianBasisSet) [private]
• RefCount() (defined in RefCount) [inline, protected]
• RefCount(const RefCount &) (defined in RefCount) [inline, protected]
• reference() [inline]
• restore_state(StateIn &si) [static]
• SavableState() (defined in SavableState) [protected]
• SavableState(const SavableState &) (defined in SavableState) [protected]
• SavableState(StateIn &) [protected]
• save_data_state(StateOut &) [virtual]
• save_object_state(StateOut &)
• save_state(StateOut &)
• save_state(SavableState *s, StateOut &) (defined in SavableState) [static]
• save_vbase_state(StateOut &) [virtual]
• set_matrixkit(const Ref< SCMatrixKit > &) (defined in GaussianBasisSet) [protected, virtual]
• shell(int i) const [inline]
• shell(int i) [inline]
• shell(int i, int j) const [inline]
• shell(int i, int j) [inline]
• shell_ (defined in GaussianBasisSet) [private]
• shell_on_center(int icenter, int shell) const
• shell_to_center(int ishell) const [inline]
• shell_to_center_ (defined in GaussianBasisSet) [private]
• shell_to_function(int i) const [inline]
• shell_to_function_ (defined in GaussianBasisSet) [private]
• shell_values(const SCVector3 &r, int sh, ValueData *, double *basis_values) const
• so_matrixkit() [inline]
• so_matrixkit_ (defined in GaussianBasisSet) [private]
• unlock_ptr() const
• unmanage() [inline]
• use_locks(bool inVal)
• values(const SCVector3 &r, ValueData *, double *basis_values) const
• ~DescribedClass() (defined in DescribedClass) [virtual]
• ~GaussianBasisSet() (defined in GaussianBasisSet) [virtual]
• ~Identity() (defined in Identity) [virtual]
• ~RefCount() (defined in RefCount) [virtual]
• ~SavableState() (defined in SavableState) [virtual]

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