mpqc::lcao::pbc::SD Member List

This is the complete list of members for mpqc::lcao::pbc::SD, including all inherited members.

atoms() const	mpqc::Wavefunction	inline
can_evaluate(Energy *energy) override	mpqc::lcao::pbc::SD	inline
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
co_coeff() const	mpqc::lcao::PeriodicWavefunction	inline
co_energy() const	mpqc::lcao::PeriodicWavefunction	inline
computed() const	mpqc::Wavefunction	inline
computed_	mpqc::Wavefunction	protected
d_duration_	mpqc::lcao::pbc::SD	protected
DescribedClass()=default	mpqc::DescribedClass
diis_	mpqc::lcao::pbc::SD	protected
diis_damping_	mpqc::lcao::pbc::SD	protected
diis_damping_attenuation_	mpqc::lcao::pbc::SD	protected
diis_mixing_	mpqc::lcao::pbc::SD	protected
diis_num_extrap_group_	mpqc::lcao::pbc::SD	protected
diis_num_iters_group_	mpqc::lcao::pbc::SD	protected
diis_num_vecs_	mpqc::lcao::pbc::SD	protected
diis_start_	mpqc::lcao::pbc::SD	protected
docc_	mpqc::lcao::pbc::SD	protected
energy_	mpqc::lcao::pbc::SD	protected
evaluate(Energy *result) override	mpqc::lcao::pbc::SD	inline
export_localized_orbitals() const	mpqc::lcao::pbc::SD	protected
export_orbitals_	mpqc::lcao::pbc::SD	protected
export_orbitals_molden() const	mpqc::lcao::pbc::SD	protected
fmix_	mpqc::lcao::pbc::SD	protected
init(const KeyVal &)=0	mpqc::lcao::pbc::SD	protectedpure virtual
init_duration_	mpqc::lcao::pbc::SD	protected
is_registered()	mpqc::DescribedClass	inlinestatic
iter_	mpqc::lcao::pbc::SD	protected
j_duration_	mpqc::lcao::pbc::SD	protected
k_duration_	mpqc::lcao::pbc::SD	protected
K_max_	mpqc::lcao::pbc::SD	protected
k_mesh_unitcell_	mpqc::lcao::pbc::SD	protected
k_size()	mpqc::lcao::pbc::SD	inline
k_size_	mpqc::lcao::pbc::SD	protected
keyval_ctor_registry()	mpqc::DescribedClass	inlinestatic
keyval_ctor_wrapper_type typedef	mpqc::DescribedClass
kv_	mpqc::lcao::pbc::SD	protected
level_shift_	mpqc::lcao::pbc::SD	protected
localize_orbitals_	mpqc::lcao::pbc::SD	protected
MatrixzVec typedef	mpqc::lcao::PeriodicWavefunction
max_condition_num_	mpqc::lcao::pbc::SD	protected
maxiter_	mpqc::lcao::pbc::SD	protected
nk() const	mpqc::lcao::PeriodicWavefunction	inline
nocc() const	mpqc::lcao::pbc::SD	inline
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
obsolete()	mpqc::Wavefunction	inlinevirtual
operator=(const Observer &other)=delete	mpqc::utility::Observer
operator=(Observer &&other)=default	mpqc::utility::Observer
pm_convergence_threshold_	mpqc::lcao::pbc::SD	protected
pm_initial_W_	mpqc::lcao::pbc::SD	protected
pm_max_iter_	mpqc::lcao::pbc::SD	protected
pm_update_factor_	mpqc::lcao::pbc::SD	protected
print(std::ostream &os=ExEnv::out0()) const	mpqc::Wavefunction	inlinevirtual
print_band_gaps() const	mpqc::lcao::pbc::SD	protected
print_detail_	mpqc::lcao::pbc::SD	protected
print_max_item_	mpqc::lcao::pbc::SD	protected
R_max_	mpqc::lcao::pbc::SD	protected
R_size_	mpqc::lcao::pbc::SD	protected
RD_max_	mpqc::lcao::pbc::SD	protected
RD_size_	mpqc::lcao::pbc::SD	protected
read_rhf_coeffs_	mpqc::lcao::pbc::SD	protected
rebuild_wfn_world(const KeyVal &kv)	mpqc::Wavefunction	inlineprotected
register_keyval_ctor()	mpqc::DescribedClass	inlinestatic
register_message(Observee *observee, std::function< void()> message)	mpqc::utility::Observer	inlineprotected
RJ_max_	mpqc::lcao::pbc::SD	protected
RJ_size_	mpqc::lcao::pbc::SD	protected
scf_duration_	mpqc::lcao::pbc::SD	protected
SD(const mpqc::KeyVal &kv)	mpqc::lcao::pbc::SD	inlineprotected
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
solve(double)=0	mpqc::lcao::pbc::SD	protectedpure virtual
trans_duration_	mpqc::lcao::pbc::SD	protected
type_to_keyval_ctor(const std::string &type_name)	mpqc::DescribedClass	static
unitcell_	mpqc::lcao::pbc::SD	protected
VectordVec typedef	mpqc::lcao::PeriodicWavefunction
Wavefunction(const KeyVal &kv)	mpqc::lcao::Wavefunction
wfn_world() const	mpqc::lcao::Wavefunction	inline
wfn_world_path() const	mpqc::Wavefunction	inlineprotected
write_rhf_coeffs_	mpqc::lcao::pbc::SD	protected
X_	mpqc::lcao::pbc::SD	protected
~DescribedClass()	mpqc::DescribedClass	inlinevirtual
~enable_shared_from_this()=default	mpqc::enable_shared_from_this< DescribedClass >	virtual
~Observer()	mpqc::utility::Observer	inlinevirtual
~PeriodicWavefunction()	mpqc::lcao::PeriodicWavefunction	inlinevirtual
~SD()=default	mpqc::lcao::pbc::SD	protectedvirtual
~virt_base_of_enable_shared_from_this()=default	mpqc::detail::virt_base_of_enable_shared_from_this	virtual
~Wavefunction()=default	mpqc::lcao::Wavefunction	virtual