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GaussianShell Member List

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

• am(int con) const [inline]
• amchar(int con) const [inline]
• Cartesian enum value (defined in GaussianShell)
• class_desc() const
• class_name() const
• class_version() const
• coefficient_norm(int con, int prim) const
• coefficient_unnorm(int con, int prim) const [inline]
• 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 GaussianShell *s)
• exponent(int iprim) const [inline]
• extent(double threshold) const
• GaussianShell(int ncn, int nprm, double *e, int *am, int *pure, double **c, PrimitiveType pt=GaussianShell::Normalized)
• GaussianShell(int ncn, int nprm, double *e, int *am, GaussianType pure, double **c, PrimitiveType pt=GaussianShell::Normalized)
• GaussianShell(const Ref< KeyVal > &)
• GaussianShell(StateIn &)
• GaussianShell(const Ref< KeyVal > &,int pure)
• GaussianType enum name (defined in GaussianShell)
• grad_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *g_values, double *basis_values=0) const
• has_pure() const [inline]
• hessian_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *h_values, double *g_values=0, double *basis_values=0) const
• identifier() [inline]
• is_cartesian(int con) const [inline]
• is_pure(int con) const [inline]
• key_restore_state(StateIn &si, const char *keyword) [static]
• lock_ptr() const
• managed() const [inline]
• managed() const [inline]
• max_am() const [inline]
• max_angular_momentum() const [inline]
• max_cartesian() const
• min_am() const [inline]
• min_angular_momentum() const [inline]
• monobound(double r) const
• ncartesian() const [inline]
• ncartesian(int con) const [inline]
• ncartesian_with_aminc(int aminc) const
• ncontraction() const [inline]
• nfunction() const [inline]
• nfunction(int con) const
• Normalized enum value (defined in GaussianShell)
• nprimitive() const [inline]
• nreference() const [inline]
• operator=(const SavableState &) (defined in SavableState)
• operator=(const DescribedClass &) (defined in DescribedClass)
• operator=(const RefCount &) (defined in RefCount) [inline, protected]
• PrimitiveType enum name (defined in GaussianShell)
• print(std::ostream &=ExEnv::out()) const [virtual]
• Pure enum value (defined in GaussianShell)
• RefCount() (defined in RefCount) [inline, protected]
• RefCount(const RefCount &) (defined in RefCount) [inline, protected]
• reference() [inline]
• relative_overlap(const Ref< Integral > &, int con, int func1, int func2) const
• relative_overlap(int con, int a1, int b1, int c1, int a2, int b2, int c2) const
• 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]
• unlock_ptr() const
• unmanage() [inline]
• Unnormalized enum value (defined in GaussianShell)
• use_locks(bool inVal)
• values(CartesianIter **, SphericalTransformIter **, const SCVector3 &r, double *basis_values)
• ~DescribedClass() (defined in DescribedClass) [virtual]
• ~GaussianShell() (defined in GaussianShell)
• ~Identity() (defined in Identity) [virtual]
• ~RefCount() (defined in RefCount) [virtual]
• ~SavableState() (defined in SavableState) [virtual]

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