LIBINT
2.1.0-stable
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Solid-Harmonic Gaussian Shell. More...
#include <bfset.h>
Public Types | |
typedef SHGF | iter_type |
As far as SetIterator is concerned, SHGShell is a set of SHGFs. | |
typedef IncableBFSet | parent_type |
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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 () |
const std::string | label () const |
Return a compact label. | |
unsigned int | num_bf () const |
Returns the number of basis functions in the set. | |
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(). | |
void | dec (unsigned int xyz, unsigned int c=1u) |
Implementation of IncableBFSet::dec(). | |
unsigned int | norm () const |
Implements IncableBFSet::norm() | |
unsigned | key () const |
Implements Hashable<unsigned>::key() | |
void | print (std::ostream &os=std::cout) const |
Print out the content. | |
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bool | zero () const |
norm() == 0 | |
bool | valid () const |
Return false if this object is invalid. | |
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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 | |
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static void | set_contracted_default_value (bool dv) |
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void | invalidate () |
make this object invalid | |
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KeyStore< unsigned, OwnKey< KeyMP >::result > | key_ |
Solid-Harmonic Gaussian Shell.