Solid-Harmonic Gaussian Shell. More...
#include <bfset.h>
Inheritance diagram for libint2::SHGShell:
Collaboration diagram for libint2::SHGShell:
Public Types | |
| typedef SHGF | iter_type |
| As far as SetIterator is concerned, SHGShell is a set of SHGFs. | |
| typedef IncableBFSet | parent_type |
 Public Types inherited from libint2::Hashable< unsigned, ReferToKey > | |
| typedef KeyTraits< unsigned >::ReturnType | KeyReturnType |
Public Member Functions | |
| SHGShell () | |
| Default constructor creates an s-type shell. | |
| SHGShell (unsigned int qn) | |
| SHGShell (const SHGShell &) | |
| SHGShell & | operator= (const SHGShell &) |
| const OriginDerivative & | deriv () const |
| OriginDerivative & | deriv () |
| std::string | label () const |
| Return a compact label. More... | |
| unsigned int | num_bf () const |
| Returns the number of basis functions in the set. More... | |
| unsigned int | qn (unsigned int m=0) const |
| Returns the angular momentum. | |
| bool | operator== (const SHGShell &) const |
| Comparison operator. | |
| void | inc (unsigned int xyz, unsigned int c=1u) |
| Implementation of IncableBFSet::inc(). More... | |
| void | dec (unsigned int xyz, unsigned int c=1u) |
| Implementation of IncableBFSet::dec(). More... | |
| unsigned int | norm () const |
| Implements IncableBFSet::norm() More... | |
| unsigned | key () const |
| Implements Hashable<unsigned>::key() More... | |
| void | print (std::ostream &os=std::cout) const |
| Print out the content. | |
| Public Member Functions inherited from libint2::IncableBFSet | |
| virtual void | inc (unsigned int xyz, unsigned int c=1u)=0 |
| Add c quanta along xyz. More... | |
| virtual void | dec (unsigned int xyz, unsigned int c=1u)=0 |
| Subtract c quanta along xyz. If impossible, invalidate the object, but do not change its quanta! More... | |
| virtual unsigned int | norm () const =0 |
| Returns the norm of the quantum numbers. More... | |
| bool | zero () const |
| norm() == 0 | |
| bool | valid () const |
| Return false if this object is invalid. | |
| virtual unsigned int | num_bf () const =0 |
| virtual std::string | label () const =0 |
| virtual KeyReturnType | key () const=0 |
| Public Member Functions inherited from libint2::Contractable< SHGShell > | |
| Contractable (const Contractable &source) | |
| Contractable & | operator= (const Contractable &source) |
| bool | contracted () const |
| void | uncontract () |
| void | contract () |
Static Public Attributes | |
| static const unsigned | max_qn = LIBINT_CARTGAUSS_MAX_AM |
| static const unsigned | max_key = 2 * (max_qn + 1) * OriginDerivative::max_key * 2 |
Friends | |
| SHGShell | operator+ (const SHGShell &A, const SHGShell &B) |
| SHGShell | operator- (const SHGShell &A, const SHGShell &B) |
Additional Inherited Members | |
| Static Public Member Functions inherited from libint2::Contractable< SHGShell > | |
| static void | set_contracted_default_value (bool dv) |
| Protected Member Functions inherited from libint2::IncableBFSet | |
| void | invalidate () |
| make this object invalid | |
| Protected Attributes inherited from libint2::Hashable< unsigned, ReferToKey > | |
| KeyStore< unsigned, OwnKey< KeyMP >::result > | key_ |
Detailed Description
Solid-Harmonic Gaussian Shell.
Member Function Documentation
◆ dec()
|
virtual |
Implementation of IncableBFSet::dec().
Implements libint2::IncableBFSet.
◆ inc()
|
virtual |
Implementation of IncableBFSet::inc().
Implements libint2::IncableBFSet.
◆ key()
|
inlinevirtual |
Implements Hashable<unsigned>::key()
Implements libint2::Hashable< unsigned, ReferToKey >.
References key().
Referenced by key().
◆ label()
|
virtual |
Return a compact label.
Implements libint2::BFSet.
◆ norm()
|
virtual |
Implements IncableBFSet::norm()
Implements libint2::IncableBFSet.
◆ num_bf()
|
inlinevirtual |
Returns the number of basis functions in the set.
Implements libint2::BFSet.
The documentation for this class was generated from the following file:
