sc::TwoBodyMOIntsTransform_ijxy Class Reference

TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct AO->MO transformation. More...

#include <transform_ijxy.h>

Inheritance diagram for sc::TwoBodyMOIntsTransform_ijxy:

sc::TwoBodyMOIntsTransform sc::SavableState sc::DescribedClass sc::RefCount sc::Identity List of all members.

Public Member Functions

 TwoBodyMOIntsTransform_ijxy (StateIn &)
 TwoBodyMOIntsTransform_ijxy (const std::string &name, const Ref< MOIntsTransformFactory > &factory, const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2, const Ref< MOIndexSpace > &space3, const Ref< MOIndexSpace > &space4)
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.
std::string type () const
 Implementation of TwoBodyMOIntsTransform::type().
const size_t memgrp_blksize () const
 Returns the number of bytes allocated for each ij-block of integrals of one type in MemoryGrp.
void compute ()
 Computes transformed integrals.
void check_int_symm (double threshold=TwoBodyMOIntsTransform::zero_integral) const throw (ProgrammingError)
 Check symmetry of transformed integrals.

Detailed Description

TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct AO->MO transformation.


Member Function Documentation

void sc::TwoBodyMOIntsTransform_ijxy::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::TwoBodyMOIntsTransform.


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