LIBINT  2.1.0-stable
Public Types | Public Member Functions | Static Public Attributes | Friends | List of all members
libint2::SHGShell Class Reference

Solid-Harmonic Gaussian Shell. More...

#include <bfset.h>

Inheritance diagram for libint2::SHGShell:
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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 &)
 
SHGShelloperator= (const SHGShell &)
 
const OriginDerivativederiv () const
 
OriginDerivativederiv ()
 
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.
 
- Public Member Functions inherited from libint2::IncableBFSet
bool zero () const
 norm() == 0
 
bool valid () const
 Return false if this object is invalid.
 
- Public Member Functions inherited from libint2::Contractable< SHGShell >
 Contractable (const Contractable &source)
 
Contractableoperator= (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.


The documentation for this class was generated from the following file: