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sc::TwoBodyMOIntsTransform_ijxy - TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020               sc::TwoBodyMOIntsTransform_ijxy(3)

Detailed Description

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

Member Function Documentation

voidsc::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::SavableState.

Name

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

Synopsis

       #include <transform_ijxy.h>

       Inherits sc::TwoBodyMOIntsTransform.

   PublicMemberFunctionsTwoBodyMOIntsTransform_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.

   AdditionalInheritedMembers

See Also