sc::GaussianBasisSet Member List

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

basisdim() | sc::GaussianBasisSet | inline
class_desc() const | sc::DescribedClass |
class_name() const | sc::DescribedClass |
class_version() const | sc::DescribedClass |
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 Ref< GaussianBasisSet > &b) | sc::GaussianBasisSet |
function_to_shell(int i) const | sc::GaussianBasisSet |
GaussianBasisSet(const GaussianBasisSet &) (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | protected
GaussianBasisSet(const Ref< KeyVal > &) | sc::GaussianBasisSet |
GaussianBasisSet(UnitType) | sc::GaussianBasisSet |
GaussianBasisSet(StateIn &) (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet |
grad_shell_values(const SCVector3 &r, int sh, ValueData *, double *g_values, double *basis_values=0) const | sc::GaussianBasisSet |
grad_values(const SCVector3 &r, ValueData *, double *g_values, double *basis_values=0) const | sc::GaussianBasisSet |
has_pure() const | sc::GaussianBasisSet | inline
hessian_shell_values(const SCVector3 &r, int sh, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const | sc::GaussianBasisSet |
hessian_values(const SCVector3 &r, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const | sc::GaussianBasisSet |
identifier() | sc::Identity | inline
key_restore_state(StateIn &si, const char *keyword) | sc::SavableState | static
label() const | sc::GaussianBasisSet | inline
lock_ptr() const | sc::RefCount |
managed() const (defined in sc::RefCount) | sc::RefCount | inline
managed() const | sc::RefCount | inline
matrixkit() | sc::GaussianBasisSet | inline
max_am_for_contraction(int con) const | sc::GaussianBasisSet |
max_angular_momentum() const | sc::GaussianBasisSet |
max_cartesian() const | sc::GaussianBasisSet |
max_ncartesian_in_shell(int aminc=0) const | sc::GaussianBasisSet |
max_ncontraction() const | sc::GaussianBasisSet |
max_nfunction_in_shell() const | sc::GaussianBasisSet |
max_nprimitive_in_shell() const | sc::GaussianBasisSet |
molecule() const | sc::GaussianBasisSet | inline
name() const | sc::GaussianBasisSet | inline
nbasis() const | sc::GaussianBasisSet | inline
nbasis_on_center(int icenter) const | sc::GaussianBasisSet |
ncenter() const | sc::GaussianBasisSet |
nprimitive() const | sc::GaussianBasisSet | inline
nreference() const | sc::RefCount | inline
nshell() const | sc::GaussianBasisSet | inline
nshell_on_center(int icenter) const | sc::GaussianBasisSet |
operator()(int i) const | sc::GaussianBasisSet | inline
operator()(int i) | sc::GaussianBasisSet | inline
operator()(int icenter, int ishell) const | sc::GaussianBasisSet |
operator()(int icenter, int ishell) | sc::GaussianBasisSet |
operator+(const Ref< GaussianBasisSet > &B) | sc::GaussianBasisSet |
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 | inline protected
operator[](int i) const | sc::GaussianBasisSet | inline
operator[](int i) | sc::GaussianBasisSet | inline
print(std::ostream &=ExEnv::out0()) const | sc::GaussianBasisSet | virtual
print_brief(std::ostream &=ExEnv::out0()) const | sc::GaussianBasisSet |
r(int icenter, int xyz) const | sc::GaussianBasisSet |
RefCount() (defined in sc::RefCount) | sc::RefCount | inline protected
RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inline protected
reference() | sc::RefCount | inline
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::GaussianBasisSet | 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
set_matrixkit(const Ref< SCMatrixKit > &) (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | protected virtual
shell(int i) const | sc::GaussianBasisSet | inline
shell(int i) | sc::GaussianBasisSet | inline
shell(int i, int j) const | sc::GaussianBasisSet | inline
shell(int i, int j) | sc::GaussianBasisSet | inline
shell_on_center(int icenter, int shell) const | sc::GaussianBasisSet |
shell_to_center(int ishell) const | sc::GaussianBasisSet | inline
shell_to_function(int i) const | sc::GaussianBasisSet | inline
shell_to_primitive(int ishell) const | sc::GaussianBasisSet | inline
shell_values(const SCVector3 &r, int sh, ValueData *, double *basis_values) const | sc::GaussianBasisSet |
so_matrixkit() | sc::GaussianBasisSet | inline
Unit enum value (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet |
UnitType enum name | sc::GaussianBasisSet |
unlock_ptr() const | sc::RefCount |
unmanage() | sc::RefCount | inline
use_locks(bool inVal) | sc::RefCount |
values(const SCVector3 &r, ValueData *, double *basis_values) const | sc::GaussianBasisSet |
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual
~GaussianBasisSet() (defined in sc::GaussianBasisSet) | sc::GaussianBasisSet | virtual
~Identity() (defined in sc::Identity) | sc::Identity | virtual
~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual
~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual