MPQC  2.3.1
sc::GaussianBasisSet Member List

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

basisdim()sc::GaussianBasisSetinline
class_desc() const sc::DescribedClass
class_name() const sc::DescribedClass
class_version() const sc::DescribedClass
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 Ref< GaussianBasisSet > &b)sc::GaussianBasisSet
function_to_shell(int i) const sc::GaussianBasisSet
GaussianBasisSet(const GaussianBasisSet &) (defined in sc::GaussianBasisSet)sc::GaussianBasisSetprotected
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::GaussianBasisSetinline
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::Identityinline
key_restore_state(StateIn &si, const char *keyword)sc::SavableStatestatic
label() const sc::GaussianBasisSetinline
lock_ptr() const sc::RefCount
managed() const (defined in sc::RefCount)sc::RefCountinline
managed() const sc::RefCountinline
matrixkit()sc::GaussianBasisSetinline
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::GaussianBasisSetinline
name() const sc::GaussianBasisSetinline
nbasis() const sc::GaussianBasisSetinline
nbasis_on_center(int icenter) const sc::GaussianBasisSet
ncenter() const sc::GaussianBasisSet
nprimitive() const sc::GaussianBasisSetinline
nreference() const sc::RefCountinline
nshell() const sc::GaussianBasisSetinline
nshell_on_center(int icenter) const sc::GaussianBasisSet
operator()(int i) const sc::GaussianBasisSetinline
operator()(int i)sc::GaussianBasisSetinline
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::RefCountinlineprotected
operator[](int i) const sc::GaussianBasisSetinline
operator[](int i)sc::GaussianBasisSetinline
print(std::ostream &=ExEnv::out0()) const sc::GaussianBasisSetvirtual
print_brief(std::ostream &=ExEnv::out0()) const sc::GaussianBasisSet
r(int icenter, int xyz) const sc::GaussianBasisSet
RefCount() (defined in sc::RefCount)sc::RefCountinlineprotected
RefCount(const RefCount &) (defined in sc::RefCount)sc::RefCountinlineprotected
reference()sc::RefCountinline
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::GaussianBasisSetvirtual
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
set_matrixkit(const Ref< SCMatrixKit > &) (defined in sc::GaussianBasisSet)sc::GaussianBasisSetprotectedvirtual
shell(int i) const sc::GaussianBasisSetinline
shell(int i)sc::GaussianBasisSetinline
shell(int i, int j) const sc::GaussianBasisSetinline
shell(int i, int j)sc::GaussianBasisSetinline
shell_on_center(int icenter, int shell) const sc::GaussianBasisSet
shell_to_center(int ishell) const sc::GaussianBasisSetinline
shell_to_function(int i) const sc::GaussianBasisSetinline
shell_to_primitive(int ishell) const sc::GaussianBasisSetinline
shell_values(const SCVector3 &r, int sh, ValueData *, double *basis_values) const sc::GaussianBasisSet
so_matrixkit()sc::GaussianBasisSetinline
Unit enum value (defined in sc::GaussianBasisSet)sc::GaussianBasisSet
UnitType enum namesc::GaussianBasisSet
unlock_ptr() const sc::RefCount
unmanage()sc::RefCountinline
use_locks(bool inVal)sc::RefCount
values(const SCVector3 &r, ValueData *, double *basis_values) const sc::GaussianBasisSet
~DescribedClass() (defined in sc::DescribedClass)sc::DescribedClassvirtual
~GaussianBasisSet() (defined in sc::GaussianBasisSet)sc::GaussianBasisSetvirtual
~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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