basisdim() | GaussianBasisSet | [inline] |
class_desc() const | DescribedClass | |
class_name() const | DescribedClass | |
class_version() const | DescribedClass | |
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) const | GaussianBasisSet | |
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) const | GaussianBasisSet | |
grad_values(const SCVector3 &r, ValueData *, double *g_values, double *basis_values=0) const | GaussianBasisSet | |
hessian_shell_values(const SCVector3 &r, int sh, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const | GaussianBasisSet | |
hessian_values(const SCVector3 &r, ValueData *, double *h_values, double *g_values=0, double *basis_values=0) const | GaussianBasisSet | |
identifier() | Identity | [inline] |
key_restore_state(StateIn &si, const char *keyword) | SavableState | [static] |
lock_ptr() const | RefCount | |
managed() const (defined in RefCount) | RefCount | [inline] |
managed() const | RefCount | [inline] |
matrixkit() | GaussianBasisSet | [inline] |
max_am_for_contraction(int con) const | GaussianBasisSet | |
max_angular_momentum() const | GaussianBasisSet | |
max_cartesian() const | GaussianBasisSet | |
max_ncartesian_in_shell(int aminc=0) const | GaussianBasisSet | |
max_ncontraction() const | GaussianBasisSet | |
max_nfunction_in_shell() const | GaussianBasisSet | |
molecule() const | GaussianBasisSet | [inline] |
name() const | GaussianBasisSet | [inline] |
nbasis() const | GaussianBasisSet | [inline] |
nbasis_on_center(int icenter) const | GaussianBasisSet | |
ncenter() const | GaussianBasisSet | |
nprimitive() const | GaussianBasisSet | [inline] |
nreference() const | RefCount | [inline] |
nshell() const | GaussianBasisSet | [inline] |
nshell_on_center(int icenter) const | GaussianBasisSet | |
operator()(int i) const | GaussianBasisSet | [inline] |
operator()(int i) | GaussianBasisSet | [inline] |
operator()(int icenter, int ishell) const | GaussianBasisSet | |
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) const | GaussianBasisSet | [inline] |
operator[](int i) | GaussianBasisSet | [inline] |
print(std::ostream &=ExEnv::out()) const | GaussianBasisSet | [virtual] |
print_brief(std::ostream &=ExEnv::out()) const | GaussianBasisSet | |
r(int icenter, int xyz) const | GaussianBasisSet | |
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) const | GaussianBasisSet | [inline] |
shell(int i) | GaussianBasisSet | [inline] |
shell(int i, int j) const | GaussianBasisSet | [inline] |
shell(int i, int j) | GaussianBasisSet | [inline] |
shell_on_center(int icenter, int shell) const | GaussianBasisSet | |
shell_to_center(int ishell) const | GaussianBasisSet | [inline] |
shell_to_function(int i) const | GaussianBasisSet | [inline] |
shell_values(const SCVector3 &r, int sh, ValueData *, double *basis_values) const | GaussianBasisSet | |
so_matrixkit() | GaussianBasisSet | [inline] |
unlock_ptr() const | RefCount | |
unmanage() | RefCount | [inline] |
use_locks(bool inVal) | RefCount | |
values(const SCVector3 &r, ValueData *, double *basis_values) const | GaussianBasisSet | |
~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] |