MOIntsRuntime provides runtime support for computing 2-, 3-, and 4-center MO-basis integrals (with or without density fitting). More...

Inheritance diagram for sc::MOIntsRuntime:

Public Types
typedef MOIntsRuntime	this_type
Public Member Functions
	MOIntsRuntime (const Ref< MOIntsTransformFactory > &factory, const Ref< DensityFittingParams > &dfparams=0)
	give density fitting basis to enable density fitting, when possible
	MOIntsRuntime (StateIn &)
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
void	obsolete ()
	obsoletes this object
const Ref < MOIntsTransformFactory > &	factory () const
	factory for creating AO->MO transforms
const Ref< DensityFittingParams > &	dfparams () const
	density fitting basis set. May be null.
const Ref < DensityFittingRuntime > &	runtime_df () const
	runtime for density fitting matrices. Returns null if density fitting basis was not given.
const Ref < TwoBodyTwoCenterMOIntsRuntime > &	runtime_2c () const
	runtime for 2-center integrals
const Ref < TwoBodyThreeCenterMOIntsRuntime > &	runtime_3c () const
	runtime for 3-center integrals
const Ref < TwoBodyFourCenterMOIntsRuntime > &	runtime_4c () const
	runtime for 4-center integrals

Detailed Description

MOIntsRuntime provides runtime support for computing 2-, 3-, and 4-center MO-basis integrals (with or without density fitting).

Member Function Documentation

void sc::MOIntsRuntime::save_data_state ( StateOut & ) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

Reimplemented from sc::SavableState.

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