DragonFly On-Line Manual Pages

Search: Section:  


sc::TwoBodyMOIntsTransform_ijxy(3)   MPQC   sc::TwoBodyMOIntsTransform_ijxy(3)

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. 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. Additional Inherited Members 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::SavableState. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::TwoBodyMOIntsTransform_ijxy(3)

Search: Section: