sc::GaussianShell Member List

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

am(int con) const | sc::GaussianShell | inline
amchar(int con) const | sc::GaussianShell | inline
Cartesian enum value (defined in sc::GaussianShell) | sc::GaussianShell |
class_desc() const | sc::DescribedClass |
class_name() const | sc::DescribedClass |
class_version() const | sc::DescribedClass |
coefficient_norm(int con, int prim) const | sc::GaussianShell |
coefficient_unnorm(int con, int prim) const | sc::GaussianShell | inline
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 GaussianShell *s) | sc::GaussianShell |
exponent(int iprim) const | sc::GaussianShell | inline
extent(double threshold) const | sc::GaussianShell |
GaussianShell(int ncn, int nprm, double *e, int *am, int *pure, double **c, PrimitiveType pt=GaussianShell::Normalized, bool do_normalize_shell=true) | sc::GaussianShell |
GaussianShell(int ncn, int nprm, double *e, int *am, GaussianType pure, double **c, PrimitiveType pt=GaussianShell::Normalized) | sc::GaussianShell |
GaussianShell(const Ref< KeyVal > &) | sc::GaussianShell |
GaussianShell(StateIn &) | sc::GaussianShell |
GaussianShell(const Ref< KeyVal > &, int pure) | sc::GaussianShell |
GaussianType enum name (defined in sc::GaussianShell) | sc::GaussianShell |
grad_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *g_values, double *basis_values=0) const | sc::GaussianShell |
has_pure() const | sc::GaussianShell | inline
hessian_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *h_values, double *g_values=0, double *basis_values=0) const | sc::GaussianShell |
identifier() | sc::Identity | inline
is_cartesian(int con) const | sc::GaussianShell | inline
is_pure(int con) const | sc::GaussianShell | 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
max_am() const | sc::GaussianShell | inline
max_angular_momentum() const | sc::GaussianShell | inline
max_cartesian() const | sc::GaussianShell |
min_am() const | sc::GaussianShell | inline
min_angular_momentum() const | sc::GaussianShell | inline
monobound(double r) const | sc::GaussianShell |
ncartesian() const | sc::GaussianShell | inline
ncartesian(int con) const | sc::GaussianShell | inline
ncartesian_with_aminc(int aminc) const | sc::GaussianShell |
ncontraction() const | sc::GaussianShell | inline
nfunction() const | sc::GaussianShell | inline
nfunction(int con) const | sc::GaussianShell |
Normalized enum value (defined in sc::GaussianShell) | sc::GaussianShell |
nprimitive() const | sc::GaussianShell | inline
nreference() const | sc::RefCount | inline
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
PrimitiveType enum name (defined in sc::GaussianShell) | sc::GaussianShell |
print(std::ostream &=ExEnv::out0()) const | sc::GaussianShell | virtual
Pure enum value (defined in sc::GaussianShell) | sc::GaussianShell |
RefCount() (defined in sc::RefCount) | sc::RefCount | inlineprotected
RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected
reference() | sc::RefCount | inline
relative_overlap(const Ref< Integral > &, int con, int func1, int func2) const | sc::GaussianShell |
relative_overlap(int con, int a1, int b1, int c1, int a2, int b2, int c2) const | sc::GaussianShell |
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::GaussianShell | 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
unlock_ptr() const | sc::RefCount |
unmanage() | sc::RefCount | inline
Unnormalized enum value (defined in sc::GaussianShell) | sc::GaussianShell |
use_locks(bool inVal) | sc::RefCount |
values(CartesianIter **, SphericalTransformIter **, const SCVector3 &r, double *basis_values) | sc::GaussianShell |
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual
~GaussianShell() (defined in sc::GaussianShell) | sc::GaussianShell |
~Identity() (defined in sc::Identity) | sc::Identity | virtual
~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual
~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual