Represents quantum numbers of cartesian multipole operator. More...
#include <multipole.h>
Inheritance diagram for libint2::CartesianMultipoleQuanta< NDIM >:
Collaboration diagram for libint2::CartesianMultipoleQuanta< NDIM >:
Public Member Functions | |
| CartesianMultipoleQuanta (const CartesianMultipoleQuanta &other) | |
| CartesianMultipoleQuanta & | operator= (const CartesianMultipoleQuanta &other) |
| CartesianMultipoleQuanta & | operator+= (const CartesianMultipoleQuanta &other) |
| CartesianMultipoleQuanta & | operator-= (const CartesianMultipoleQuanta &other) |
| unsigned int | operator[] (unsigned int xyz) const |
| returns the number of quanta along xyz | |
| void | inc (unsigned int xyz, unsigned int c=1u) |
| Add c quanta along xyz. | |
| void | dec (unsigned int xyz, unsigned int c=1u) |
| Subtract c quanta along xyz. If impossible, invalidate the object, but do not change its quanta! | |
| unsigned int | norm () const |
| Returns the sum of quantum numbers. | |
| bool | zero () const |
| norm() == 0 | |
| bool | valid () const |
| Return false if this object is invalid. | |
| LIBINT2_UINT_LEAST64 | key () const |
| Implements Hashable<unsigned>::key() More... | |
| std::string | label () const |
| Return a compact label. | |
| void | print (std::ostream &os=std::cout) const |
| Print out the content. | |
| virtual KeyReturnType | key () const=0 |
Static Public Attributes | |
| static constexpr unsigned | max_qn = LIBINT_CARTGAUSS_MAX_AM |
| static const unsigned | max_key = NDIM == 3 ? (1 + max_qn)*(2 + max_qn)*(3 + max_qn)/6 : (1+max_qn) |
| The range of keys is [0,max_key). More... | |
Protected Member Functions | |
| void | invalidate () |
| make this object invalid | |
Additional Inherited Members | |
 Public Types inherited from libint2::Hashable< LIBINT2_UINT_LEAST64, ReferToKey > | |
| typedef KeyTraits< LIBINT2_UINT_LEAST64 >::ReturnType | KeyReturnType |
| Protected Attributes inherited from libint2::Hashable< LIBINT2_UINT_LEAST64, ReferToKey > | |
| KeyStore< LIBINT2_UINT_LEAST64, OwnKey< KeyMP >::result > | key_ |
Detailed Description
template<unsigned NDIM = 3>
class libint2::CartesianMultipoleQuanta< NDIM >
class libint2::CartesianMultipoleQuanta< NDIM >
Represents quantum numbers of cartesian multipole operator.
Member Function Documentation
◆ key()
template<unsigned NDIM = 3>
|
inlinevirtual |
Implements Hashable<unsigned>::key()
Implements libint2::Hashable< LIBINT2_UINT_LEAST64, ReferToKey >.
References libint2::CartesianMultipoleQuanta< NDIM >::key(), and libint2::CartesianMultipoleQuanta< NDIM >::max_key.
Referenced by libint2::CartesianMultipoleQuanta< NDIM >::key().
Member Data Documentation
◆ max_key
template<unsigned NDIM = 3>
|
static |
The range of keys is [0,max_key).
- Note
- for NDIM=3 the formula is easily derived by summing (L+1)(L+2)/2 up to
max_qn
Referenced by libint2::CartesianMultipoleQuanta< NDIM >::key().
The documentation for this class was generated from the following file:
