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Man Pages


Manual Reference Pages  -  SC_TWOBODYMOINTSTRANSFORM_IXJY (3)

NAME

sc::TwoBodyMOIntsTransform_ixjy - TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation.

CONTENTS

Synopsis

SYNOPSIS

#include <transform_ixjy.h>

Inherits sc::TwoBodyMOIntsTransform.

    Public Member Functions

    TwoBodyMOIntsTransform_ixjy (StateIn &)    
TwoBodyMOIntsTransform_ixjy (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.

    Additional Inherited Members

Detailed Description

TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation.

Member Function Documentation

void sc::TwoBodyMOIntsTransform_ixjy::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.

Author

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::TWOBODYMOINTSTRANSFORM_IXJY (3) Sun Apr 3 2016

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