AtomicBasis(const KeyVal &kv) | mpqc::lcao::gaussian::AtomicBasis | |
AtomicBasis(const std::shared_ptr< const Molecule > &atoms, const std::string &name, madness::World *world=mpqc::get_default_world(), int reblock_size=0) | mpqc::lcao::gaussian::AtomicBasis | |
atoms() const | mpqc::lcao::gaussian::AtomicBasis | |
Basis() | mpqc::lcao::gaussian::Basis | |
Basis(Basis const &) | mpqc::lcao::gaussian::Basis | |
Basis(Basis &&) | mpqc::lcao::gaussian::Basis | |
Basis(std::vector< ShellVec > shells) | mpqc::lcao::gaussian::Basis | |
bf2shell() const | mpqc::lcao::gaussian::Basis | |
bf2shell_ | mpqc::lcao::gaussian::Basis | mutableprotected |
cast_shared_from_this_to() | mpqc::detail::virt_base_of_enable_shared_from_this | inline |
cast_shared_from_this_to() const | mpqc::detail::virt_base_of_enable_shared_from_this | inline |
class_key() | mpqc::DescribedClass | inlinestatic |
class_key() const | mpqc::DescribedClass | inline |
clear_messages() | mpqc::utility::Observer | inlineprotected |
cluster_shells() const | mpqc::lcao::gaussian::Basis | |
cluster_shells(std::size_t cluster) const | mpqc::lcao::gaussian::Basis | |
create_trange1() const | mpqc::lcao::gaussian::Basis | |
DescribedClass()=default | mpqc::DescribedClass | |
factory() const | mpqc::lcao::gaussian::AtomicBasis | |
flattened_shells() const | mpqc::lcao::gaussian::Basis | |
flattened_shells_ | mpqc::lcao::gaussian::Basis | mutableprotected |
init_trange1_hashmarks() const | mpqc::lcao::gaussian::Basis | protected |
is_registered() | mpqc::DescribedClass | inlinestatic |
keyval_ctor_registry() | mpqc::DescribedClass | inlinestatic |
keyval_ctor_wrapper_type typedef | mpqc::DescribedClass | |
make_range1(std::size_t cluster, std::size_t lobound=std::numeric_limits< std::size_t >::max()) const | mpqc::lcao::gaussian::Basis | |
make_shell_trange1() const | mpqc::lcao::gaussian::Basis | |
make_trange1() const | mpqc::lcao::gaussian::Basis | |
make_trange1(std::size_t cluster, std::size_t lobound=std::numeric_limits< std::size_t >::max()) const | mpqc::lcao::gaussian::Basis | |
max_am() const | mpqc::lcao::gaussian::Basis | |
max_am_ | mpqc::lcao::gaussian::Basis | mutableprotected |
max_nprim() const | mpqc::lcao::gaussian::Basis | |
max_nprim_ | mpqc::lcao::gaussian::Basis | mutableprotected |
name() const | mpqc::lcao::gaussian::AtomicBasis | inline |
nclusters() const | mpqc::lcao::gaussian::Basis | |
nfunctions() const | mpqc::lcao::gaussian::Basis | |
nfunctions_ | mpqc::lcao::gaussian::Basis | mutableprotected |
nshells() const | mpqc::lcao::gaussian::Basis | |
nshells_ | mpqc::lcao::gaussian::Basis | mutableprotected |
Observer()=default | mpqc::utility::Observer | |
Observer(Observee *observee, std::function< void()> message) | mpqc::utility::Observer | inline |
Observer(const Observer &other)=delete | mpqc::utility::Observer | |
Observer(Observer &&other)=default | mpqc::utility::Observer | |
mpqc::operator=(Basis const &) | mpqc::lcao::gaussian::Basis | |
mpqc::operator=(Basis &&) | mpqc::lcao::gaussian::Basis | |
mpqc::utility::Observer::operator=(const Observer &other)=delete | mpqc::utility::Observer | |
mpqc::utility::Observer::operator=(Observer &&other)=default | mpqc::utility::Observer | |
register_keyval_ctor() | mpqc::DescribedClass | inlinestatic |
register_message(Observee *observee, std::function< void()> message) | mpqc::utility::Observer | inlineprotected |
serialize(const Archive &ar) | mpqc::lcao::gaussian::Basis | inline |
serialize(const Archive &ar) | mpqc::lcao::gaussian::Basis | inline |
shared_from_this() | mpqc::enable_shared_from_this< DescribedClass > | inline |
shared_from_this() const | mpqc::enable_shared_from_this< DescribedClass > | inline |
shared_from_this_possible() const | mpqc::detail::virt_base_of_enable_shared_from_this | inline |
Shell typedef | mpqc::lcao::gaussian::AtomicBasis | |
shell_to_atom() const | mpqc::lcao::gaussian::AtomicBasis | inline |
shells_ | mpqc::lcao::gaussian::Basis | protected |
trange1_hashmarks_ | mpqc::lcao::gaussian::Basis | mutableprotected |
type_to_keyval_ctor(const std::string &type_name) | mpqc::DescribedClass | static |
~Basis() | mpqc::lcao::gaussian::Basis | virtual |
~DescribedClass() | mpqc::DescribedClass | inlinevirtual |
~enable_shared_from_this()=default | mpqc::enable_shared_from_this< DescribedClass > | virtual |
~Observer() | mpqc::utility::Observer | inlinevirtual |
~virt_base_of_enable_shared_from_this()=default | mpqc::detail::virt_base_of_enable_shared_from_this | virtual |