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GaussianBasisSet Member List

This is the complete list of members for GaussianBasisSet, including all inherited members.
basisdim()GaussianBasisSet [inline]
class_desc() constDescribedClass
class_name() constDescribedClass
class_version() constDescribedClass
dereference()RefCount [inline]
DescribedClass() (defined in DescribedClass)DescribedClass
DescribedClass(const DescribedClass &) (defined in DescribedClass)DescribedClass
dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in SavableState)SavableState [static]
equiv(const Ref< GaussianBasisSet > &b)GaussianBasisSet
function_to_shell(int i) constGaussianBasisSet
GaussianBasisSet(const GaussianBasisSet &) (defined in GaussianBasisSet)GaussianBasisSet [protected]
GaussianBasisSet(const Ref< KeyVal > &)GaussianBasisSet
GaussianBasisSet(StateIn &) (defined in GaussianBasisSet)GaussianBasisSet
grad_shell_values(const SCVector3 &r, int sh, ValueData *, double *g_values, double *basis_values=0) constGaussianBasisSet
grad_values(const SCVector3 &r, ValueData *, double *g_values, double *basis_values=0) constGaussianBasisSet
hessian_shell_values(const SCVector3 &r, int sh, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) constGaussianBasisSet
hessian_values(const SCVector3 &r, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) constGaussianBasisSet
identifier()Identity [inline]
key_restore_state(StateIn &si, const char *keyword)SavableState [static]
lock_ptr() constRefCount
managed() const (defined in RefCount)RefCount [inline]
managed() constRefCount [inline]
matrixkit()GaussianBasisSet [inline]
max_am_for_contraction(int con) constGaussianBasisSet
max_angular_momentum() constGaussianBasisSet
max_cartesian() constGaussianBasisSet
max_ncartesian_in_shell(int aminc=0) constGaussianBasisSet
max_ncontraction() constGaussianBasisSet
max_nfunction_in_shell() constGaussianBasisSet
molecule() constGaussianBasisSet [inline]
name() constGaussianBasisSet [inline]
nbasis() constGaussianBasisSet [inline]
nbasis_on_center(int icenter) constGaussianBasisSet
ncenter() constGaussianBasisSet
nprimitive() constGaussianBasisSet [inline]
nreference() constRefCount [inline]
nshell() constGaussianBasisSet [inline]
nshell_on_center(int icenter) constGaussianBasisSet
operator()(int i) constGaussianBasisSet [inline]
operator()(int i)GaussianBasisSet [inline]
operator()(int icenter, int ishell) constGaussianBasisSet
operator()(int icenter, int ishell)GaussianBasisSet
operator=(const SavableState &) (defined in SavableState)SavableState
operator=(const DescribedClass &) (defined in DescribedClass)DescribedClass
operator=(const RefCount &) (defined in RefCount)RefCount [inline, protected]
operator[](int i) constGaussianBasisSet [inline]
operator[](int i)GaussianBasisSet [inline]
print(std::ostream &=ExEnv::out()) constGaussianBasisSet [virtual]
print_brief(std::ostream &=ExEnv::out()) constGaussianBasisSet
r(int icenter, int xyz) constGaussianBasisSet
RefCount() (defined in RefCount)RefCount [inline, protected]
RefCount(const RefCount &) (defined in RefCount)RefCount [inline, protected]
reference()RefCount [inline]
restore_state(StateIn &si)SavableState [static]
SavableState() (defined in SavableState)SavableState [protected]
SavableState(const SavableState &) (defined in SavableState)SavableState [protected]
SavableState(StateIn &)SavableState [protected]
save_data_state(StateOut &)GaussianBasisSet [virtual]
save_object_state(StateOut &)SavableState
save_state(StateOut &)SavableState
save_state(SavableState *s, StateOut &) (defined in SavableState)SavableState [static]
save_vbase_state(StateOut &)SavableState [virtual]
set_matrixkit(const Ref< SCMatrixKit > &) (defined in GaussianBasisSet)GaussianBasisSet [protected, virtual]
shell(int i) constGaussianBasisSet [inline]
shell(int i)GaussianBasisSet [inline]
shell(int i, int j) constGaussianBasisSet [inline]
shell(int i, int j)GaussianBasisSet [inline]
shell_on_center(int icenter, int shell) constGaussianBasisSet
shell_to_center(int ishell) constGaussianBasisSet [inline]
shell_to_function(int i) constGaussianBasisSet [inline]
shell_values(const SCVector3 &r, int sh, ValueData *, double *basis_values) constGaussianBasisSet
so_matrixkit()GaussianBasisSet [inline]
unlock_ptr() constRefCount
unmanage()RefCount [inline]
use_locks(bool inVal)RefCount
values(const SCVector3 &r, ValueData *, double *basis_values) constGaussianBasisSet
~DescribedClass() (defined in DescribedClass)DescribedClass [virtual]
~GaussianBasisSet() (defined in GaussianBasisSet)GaussianBasisSet [virtual]
~Identity() (defined in Identity)Identity [virtual]
~RefCount() (defined in RefCount)RefCount [virtual]
~SavableState() (defined in SavableState)SavableState [virtual]

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