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NAME

       sc::MOIntsTransformFactory -

       MOIntsTransformFactory is a factory that produces MOIntsTransform
       objects.

SYNOPSIS

       #include <transform_factory.h>

       Inherits sc::SavableState.

   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< Integral > integral () 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< MOIndexSpace > space1 () const
           Returns MOIndexSpace object 1.
       Ref< MOIndexSpace > space2 () const
           Returns MOIndexSpace object 2.
       Ref< MOIndexSpace > space3 () const
           Returns MOIndexSpace object 3.
       Ref< MOIndexSpace > space4 () const
           Returns MOIndexSpace object 4.
       Ref< TwoBodyMOIntsTransform > twobody_transform_13 (const std::string
           &id)
           Creates an TwoBodyMOIntsTransform object that will compute (pq|rs)
           integrals stored in qs blocks for each pr.
       Ref< TwoBodyMOIntsTransform > twobody_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.

Author

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