sc::IntegralSetDescr< IntEval > Class Template Reference
For a set of integrals (e.g. More...
#include <chemistry/qc/basis/intdescr.h>
Inheritance diagram for sc::IntegralSetDescr< IntEval >:
Public Member Functions | |
| virtual Ref< IntEval > | inteval () const =0 |
| call appropriate method to produce TwoBodyInt corresponding to this Set | |
| virtual unsigned int | num_sets () const =0 |
| how many integral sets | |
| virtual Ref< IntParams > | params () const =0 |
| optional parameters that determine the operator set (e.g., geminal exponents, etc.) | |
| virtual unsigned int | intset (TwoBodyInt::tbint_type t) const =0 |
| Maps integral set t to its index in this set. | |
| virtual TwoBodyInt::tbint_type | intset (unsigned int t) const =0 |
| Maps integral set t to its TwoBodyInt::tbint_type. | |
Detailed Description
template<typename IntEval>
class sc::IntegralSetDescr< IntEval >
For a set of integrals (e.g.
1/r12 and exp(-gamma*r12)), IntegralSetDescr describes properties of integral types, their parameters (e.g. gamma), and how to construct an evaluator object. IntEval is the base evaluator type (e.g. TwoBodyInt) for all integrals in the integral set.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/intdescr.h