sc::MOIntsTransformFactory Class Reference

MOIntsTransformFactory is a factory that produces MOIntsTransform objects. More...

#include <transform_factory.h>

Inheritance diagram for sc::MOIntsTransformFactory:

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

Public Types

enum  StoreMethod {
  mem_posix = 0, posix = 1, mem_mpi = 2, mpi = 3,
  mem_only = 4
}
 Describes the method of storing transformed MO integrals.

Public Member Functions

 MOIntsTransformFactory (StateIn &)
 MOIntsTransformFactory (const Ref< Integral > &integral, const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2=0, const Ref< MOIndexSpace > &space3=0, const Ref< MOIndexSpace > &space4=0)
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 set_spaces (const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2=0, const Ref< MOIndexSpace > &space3=0, const Ref< MOIndexSpace > &space4=0)
 Sets the orbital spaces.
void set_top_mole (const Ref< MolecularEnergy > &top_mole)
 Specifies the top-level MolecularEnergy object to use for checkpointing.
void set_ints_method (const StoreMethod method)
 Sets the method of storing transformed MO integrals. Default method is mem_posix.
void set_file_prefix (const std::string &prefix)
 Sets the name of the file to hold the integrals.
void set_debug (int debug)
void set_dynamic (bool dynamic)
void set_print_percent (double print_percent)
void set_memory (size_t nbytes)
Ref< Integralintegral () const
 Returns the Integral factory.
const StoreMethod ints_method () const
 Returns the method of storing transformed MO integrals.
const std::string file_prefix () const
 Sets the name of the file to hold the integrals.
const int debug () const
const bool dynamic () const
const double print_percent () const
const size_t memory () const
Ref< MOIndexSpacespace1 () const
 Returns MOIndexSpace object 1.
Ref< MOIndexSpacespace2 () const
 Returns MOIndexSpace object 2.
Ref< MOIndexSpacespace3 () const
 Returns MOIndexSpace object 3.
Ref< MOIndexSpacespace4 () const
 Returns MOIndexSpace object 4.
Ref< TwoBodyMOIntsTransformtwobody_transform_13 (const std::string &id)
 Creates an TwoBodyMOIntsTransform object that will compute (pq|rs) integrals stored in qs blocks for each pr.
Ref< TwoBodyMOIntsTransformtwobody_transform_12 (const std::string &id)
 Creates an TwoBodyMOIntsTransform object that will compute (pq|rs) integrals stored in rs blocks for each pq.

Detailed Description

MOIntsTransformFactory is a factory that produces MOIntsTransform objects.


Member Function Documentation

void sc::MOIntsTransformFactory::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:
Generated at Mon Dec 3 23:23:53 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.