LIBINT  2.6.0
Public Member Functions | List of all members
libint2::IntegralSet< BasisFunctionSet > Class Template Referenceabstract

This is an abstract base for sets of all types of integrals. More...

#include <integral.h>

Inheritance diagram for libint2::IntegralSet< BasisFunctionSet >:
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Public Member Functions

virtual unsigned int num_part () const =0
 Return the number of particles.
 
virtual unsigned int num_func_bra (unsigned int p) const =0
 Return the number of functions for particle p.
 
virtual unsigned int num_func_ket (unsigned int p) const =0
 Return the number of functions for particle p.
 
virtual const BasisFunctionSet & bra (unsigned int p, unsigned int i) const =0
 Obtain pointers to ith BasisFunctionSet for particle p in bra.
 
virtual const BasisFunctionSet & ket (unsigned int p, unsigned int i) const =0
 Obtain pointers to ith BasisFunctionSet for particle p in ket.
 
virtual BasisFunctionSet & bra (unsigned int p, unsigned int i)=0
 Obtain pointers to ith BasisFunctionSet for particle p in bra.
 
virtual BasisFunctionSet & ket (unsigned int p, unsigned int i)=0
 Obtain pointers to ith BasisFunctionSet for particle p in ket.
 
virtual unsigned int np () const =0
 Return the number of particles.
 
virtual const SafePtr< BasisFunctionSet > bra (unsigned int p, unsigned int i) const =0
 Obtain pointers to ith BasisFunctionSet for particle p in bra.
 
virtual const SafePtr< BasisFunctionSet > ket (unsigned int p, unsigned int i) const =0
 Obtain pointers to ith BasisFunctionSet for particle p in ket.
 

Detailed Description

template<class BasisFunctionSet>
class libint2::IntegralSet< BasisFunctionSet >

This is an abstract base for sets of all types of integrals.

Functions can be of any type derived from BasisFunctionSet.


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