MPQC  2.3.1
sc::GaussianShell Member List

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

am(int con) const sc::GaussianShellinline
amchar(int con) const sc::GaussianShellinline
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::GaussianShellinline
dereference()sc::RefCountinline
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::SavableStatestatic
equiv(const GaussianShell *s)sc::GaussianShell
exponent(int iprim) const sc::GaussianShellinline
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::GaussianShellinline
hessian_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *h_values, double *g_values=0, double *basis_values=0) const sc::GaussianShell
identifier()sc::Identityinline
is_cartesian(int con) const sc::GaussianShellinline
is_pure(int con) const sc::GaussianShellinline
key_restore_state(StateIn &si, const char *keyword)sc::SavableStatestatic
lock_ptr() const sc::RefCount
managed() const (defined in sc::RefCount)sc::RefCountinline
managed() const sc::RefCountinline
max_am() const sc::GaussianShellinline
max_angular_momentum() const sc::GaussianShellinline
max_cartesian() const sc::GaussianShell
min_am() const sc::GaussianShellinline
min_angular_momentum() const sc::GaussianShellinline
monobound(double r) const sc::GaussianShell
ncartesian() const sc::GaussianShellinline
ncartesian(int con) const sc::GaussianShellinline
ncartesian_with_aminc(int aminc) const sc::GaussianShell
ncontraction() const sc::GaussianShellinline
nfunction() const sc::GaussianShellinline
nfunction(int con) const sc::GaussianShell
Normalized enum value (defined in sc::GaussianShell)sc::GaussianShell
nprimitive() const sc::GaussianShellinline
nreference() const sc::RefCountinline
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::RefCountinlineprotected
PrimitiveType enum name (defined in sc::GaussianShell)sc::GaussianShell
print(std::ostream &=ExEnv::out0()) const sc::GaussianShellvirtual
Pure enum value (defined in sc::GaussianShell)sc::GaussianShell
RefCount() (defined in sc::RefCount)sc::RefCountinlineprotected
RefCount(const RefCount &) (defined in sc::RefCount)sc::RefCountinlineprotected
reference()sc::RefCountinline
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::SavableStatestatic
SavableState() (defined in sc::SavableState)sc::SavableStateprotected
SavableState(const SavableState &) (defined in sc::SavableState)sc::SavableStateprotected
SavableState(StateIn &)sc::SavableStateprotected
save_data_state(StateOut &)sc::GaussianShellvirtual
save_object_state(StateOut &)sc::SavableState
save_state(StateOut &)sc::SavableState
save_state(SavableState *s, StateOut &) (defined in sc::SavableState)sc::SavableStatestatic
save_vbase_state(StateOut &)sc::SavableStatevirtual
unlock_ptr() const sc::RefCount
unmanage()sc::RefCountinline
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::DescribedClassvirtual
~GaussianShell() (defined in sc::GaussianShell)sc::GaussianShell
~Identity() (defined in sc::Identity)sc::Identityvirtual
~RefCount() (defined in sc::RefCount)sc::RefCountvirtual
~SavableState() (defined in sc::SavableState)sc::SavableStatevirtual

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