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occ::qm::AOBasis Member List

This is the complete list of members for occ::qm::AOBasis, including all inherited members.

AOBasis(const AtomList &, const ShellList &, const std::string &name="", const ShellList &ecp={})occ::qm::AOBasis
AOBasis()occ::qm::AOBasisinline
at(size_t n) constocc::qm::AOBasisinline
atom_to_ecp_shell() constocc::qm::AOBasisinline
atom_to_shell() constocc::qm::AOBasisinline
AtomList typedefocc::qm::AOBasis
atoms() constocc::qm::AOBasisinline
bf_to_atom() constocc::qm::AOBasisinline
bf_to_shell() constocc::qm::AOBasisinline
calculate_shell_cutoffs()occ::qm::AOBasis
ecp_at(size_t n) constocc::qm::AOBasisinline
ecp_electrons() constocc::qm::AOBasisinline
ecp_electrons()occ::qm::AOBasisinline
ecp_l_max() constocc::qm::AOBasis
ecp_nsh() constocc::qm::AOBasisinline
ecp_shell_to_atom() constocc::qm::AOBasisinline
ecp_shells() constocc::qm::AOBasisinline
ecp_size() constocc::qm::AOBasisinline
first_bf() constocc::qm::AOBasisinline
have_ecps() constocc::qm::AOBasisinline
is_cartesian() constocc::qm::AOBasisinline
is_pure() constocc::qm::AOBasisinline
kind() constocc::qm::AOBasisinline
l_max() constocc::qm::AOBasis
load(const AtomList &atoms, const std::string &name)occ::qm::AOBasisstatic
max_ecp_shell_size() constocc::qm::AOBasisinline
max_shell_size() constocc::qm::AOBasisinline
merge(const AOBasis &)occ::qm::AOBasis
name() constocc::qm::AOBasisinline
nbf() constocc::qm::AOBasisinline
nsh() constocc::qm::AOBasisinline
operator==(const AOBasis &rhs) constocc::qm::AOBasis
operator[](size_t n) constocc::qm::AOBasisinline
rotate(const Mat3 &rotation)occ::qm::AOBasis
set_ecp_electrons(const std::vector< int > &e)occ::qm::AOBasisinline
set_kind(Shell::Kind kind)occ::qm::AOBasisinline
set_pure(bool pure)occ::qm::AOBasisinline
shell_to_atom() constocc::qm::AOBasisinline
ShellList typedefocc::qm::AOBasis
shells() constocc::qm::AOBasisinline
shells_share_origin(size_t p, size_t q) constocc::qm::AOBasisinline
size() constocc::qm::AOBasisinline
total_ecp_electrons() constocc::qm::AOBasisinline
translate(const Vec3 &rotation)occ::qm::AOBasis