|
virtual | ~GenIntegralSet () |
| No constructors are public since this is a singleton-like quantity. More...
|
|
virtual bool | operator== (const GenIntegralSet &) const |
| Comparison operator.
|
|
bool | equiv (const SafePtr< DGVertex > &v) const |
| Specialization of DGVertex::equiv()
|
|
virtual unsigned int | size () const |
| Specialization of DGVertex::size()
|
|
virtual const std::string & | label () const |
| Specialization of DGVertex::label()
|
|
virtual const std::string & | id () const |
| Specialization of DGVertex::id()
|
|
virtual std::string | description () const |
| Specialization of DGVertex::description()
|
|
unsigned int | num_part () const |
| Implementation of IntegralSet::num_part.
|
|
virtual unsigned int | num_func_bra (unsigned int p) const |
| Implementation of IntegralSet::num_func_bra.
|
|
virtual unsigned int | num_func_ket (unsigned int p) const |
| Implementation of IntegralSet::num_func_ket.
|
|
BraSetType::bfs_cref | bra (unsigned int p, unsigned int i) const |
| Implementation of IntegralSet::bra() const.
|
|
KetSetType::bfs_cref | ket (unsigned int p, unsigned int i) const |
| Implementation of IntegralSet::ket() const.
|
|
BraSetType::bfs_ref | bra (unsigned int p, unsigned int i) |
| Implementation of IntegralSet::bra()
|
|
KetSetType::bfs_ref | ket (unsigned int p, unsigned int i) |
| Implementation of IntegralSet::ket()
|
|
const SafePtr< Oper > | oper () const |
| Obtain the operator.
|
|
const BraType & | bra () const |
| Obtain const ref to bra.
|
|
const KetType & | ket () const |
| Obtain const ref to bra.
|
|
const SafePtr< AuxQuanta > | aux () const |
| Obtain the auxiliary quanta.
|
|
DGVertex::KeyReturnType | key () const |
| Implements Hashable::key()
|
|
void | unregister () const |
| Reimplements DGVertex::unregister()
|
|
virtual unsigned int | np () const =0 |
| Return the number of particles.
|
|
| DGVertex (ClassID tid) |
| Sets typeid to tid.
|
|
| DGVertex (ClassID tid, const std::vector< SafePtr< DGArc > > &parents, const std::vector< SafePtr< DGArc > > &children) |
| Sets typeid to tid.
|
|
| DGVertex (const DGVertex &v) |
| This is a copy constructor.
|
|
void | make_a_target () |
| make_a_target() marks this vertex as a target
|
|
bool | is_a_target () const |
| is_a_target() returns true if this vertex is a target
|
|
virtual void | add_exit_arc (const SafePtr< DGArc > &) |
| add_exit_arc(arc) adds arc as an arc connecting to children of this vertex. More...
|
|
virtual void | del_exit_arcs () |
| del_exit_arcs() removes all exit arcs from this and corresponding children vertices. More...
|
|
void | replace_exit_arc (const SafePtr< DGArc > &A, const SafePtr< DGArc > &B) |
| replace_exit_arc() replaces A with B. More...
|
|
void | detach () |
| this function detaches the vertex from other vertices. More...
|
|
const ArcSetType & | exit_arcs () const |
|
const ArcSetType & | entry_arcs () const |
|
unsigned int | num_entry_arcs () const |
| returns the number of parents
|
|
ArcSetType::const_iterator | first_entry_arc () const |
| returns parents::begin()
|
|
ArcSetType::const_iterator | plast_entry_arc () const |
| returns parents::end()
|
|
unsigned int | num_exit_arcs () const |
| returns the number of children
|
|
ArcSetType::const_iterator | first_exit_arc () const |
| returns children::begin()
|
|
ArcSetType::const_iterator | plast_exit_arc () const |
| returns children::end()
|
|
const SafePtr< DGArc > & | exit_arc (const SafePtr< DGVertex > &v) const |
| return arc connecting this to v, otherwise null pointer
|
|
bool | precomputed () const |
| precomputed() returns whether this DGVertex is precomputed. More...
|
|
virtual void | print (std::ostream &os) const |
| print(os) prints vertex info to os
|
|
const DirectedGraph * | dg () const |
| Returns pointer to the DirectedGraph to which this DGVertex belongs to.
|
|
void | dg (const DirectedGraph *d) |
| Sets pointer to the DirectedGraph to which this DGVertex belongs to. Should be used with utmost caution.
|
|
const std::string & | graph_label () const |
| returns the label used for this vertex when visualizing graph. can throw GraphLabelNotSet.
|
|
void | set_graph_label (const std::string &graph_label) |
| sets the graph label
|
|
const SafePtr< DRTree > & | subtree () const |
| Returns the subtree to which this vertex belongs.
|
|
void | refer_this_to (const SafePtr< DGVertex > &V) |
| refer_this_to(V) makes this vertex act like a reference to V so that calls to symbol() and address() report code symbol and stack address of V
|
|
bool | refers_to_another () const |
| refers to another vertex?
|
|
const std::string & | symbol () const |
| returns the code symbol. can throw SymbolNotSet
|
|
void | set_symbol (const std::string &symbol) |
| sets the code symbol
|
|
bool | symbol_set () const |
| returns true if the symbol has been set
|
|
void | reset_symbol () |
| this function void the symbol, i.e. it is no longer set after calling this member
|
|
Address | address () const |
| returns the address of this quantity on Libint's stack. can throw AddressNotSet
|
|
void | set_address (const Address &address) |
| sets the address of this quantity on Libint's stack
|
|
bool | address_set () const |
| returns true if the address has been set
|
|
void | need_to_compute (bool ntc) |
| indicates whether this vertex needs to be computed. More...
|
|
void | not_need_to_compute () |
| shortcut to need_to_compute(false)
|
|
bool | need_to_compute () const |
| returns true if this index needs to be computed.
|
|
bool | declared () const |
|
void | declared (bool d) |
|
void | prepare_to_traverse () |
| prepare_to_traverse() must be called before traversal of the graph starts
|
|
unsigned int | tag () |
| tag() tags the vertex and returns the total number of tags this vertex has received
|
|
void | schedule () |
| schedule() marks the vertex as scheduled, hence its code exists
|
|
bool | scheduled () const |
| scheduled() returns true if the vertex has been scheduled
|
|
SafePtr< DGVertex > | postcalc () const |
| Returns pointer to vertex to be computed after this vertex, 0 if this is the last vertex.
|
|
void | set_postcalc (const SafePtr< DGVertex > &postcalc) |
| Sets postcalc.
|
|
void | reset () |
| Resets the vertex, releasing all arcs.
|
|
template<class Oper, class BFS, class BraSetType, class KetSetType, class AuxQuanta = EmptySet>
class libint2::GenIntegralSet< Oper, BFS, BraSetType, KetSetType, AuxQuanta >
GenIntegralSet is a set of integrals over functions derived from BFS.
- Template Parameters
-
Oper | An operator or a set of operators. Oper must be derived from OperSet. |
BraSetType | Type describing a set of bra functions. An example of a class that can be used as BraSetType is VectorBraket. |
KetSetType | Type describing a set of ket functions. An example of a class that can be used as KetSetType is VectorBraket. |
AuxQuanta | Type describing a set of auxiliary quantum numbers. AuxQuanta should be derived from QuantumSet. |