MPQC 2.3.1

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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]`