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sc::MOIntsTransformFactory(3) MPQC sc::MOIntsTransformFactory(3) 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. Public Member Functions inherited from sc::SavableState SavableState & operator= (const SavableState &) void save_state (StateOut &) Save the state of the object as specified by the StateOut object. void save_object_state (StateOut &) This can be used for saving state when the exact type of the object is known for both the save and the restore. virtual void save_vbase_state (StateOut &) Save the virtual bases for the object. virtual 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. Public Member Functions inherited from sc::DescribedClass DescribedClass (const DescribedClass &) DescribedClass & operator= (const DescribedClass &) ClassDesc * class_desc () const throw () This returns the unique pointer to the ClassDesc corresponding to the given type_info object. const char * class_name () const Return the name of the object's exact type. int class_version () const Return the version of the class. virtual void print (std::ostream &=ExEnv::out0()) const Print the object. Public Member Functions inherited from sc::RefCount int lock_ptr () const Lock this object. int unlock_ptr () const Unlock this object. void use_locks (bool inVal) start and stop using locks on this object refcount_t nreference () const Return the reference count. refcount_t reference () Increment the reference count and return the new count. refcount_t dereference () Decrement the reference count and return the new count. int managed () const void unmanage () Turn off the reference counting mechanism for this object. int managed () const Return 1 if the object is managed. Otherwise return 0. Public Member Functions inherited from sc::Identity Identifier identifier () Return the Identifier for this argument. Additional Inherited Members Static Public Member Functions inherited from sc::SavableState static void save_state (SavableState *s, StateOut &) static SavableState * restore_state (StateIn &si) Restores objects saved with save_state. static SavableState * key_restore_state (StateIn &si, const char *keyword) Like restore_state, but keyword is used to override values while restoring. static SavableState * dir_restore_state (StateIn &si, const char *objectname, const char *keyword=0) Protected Member Functions inherited from sc::SavableState SavableState (const SavableState &) SavableState (StateIn &) Each derived class StateIn CTOR handles the restore corresponding to calling save_object_state, save_vbase_state, and save_data_state listed above. Protected Member Functions inherited from sc::RefCount RefCount (const RefCount &) RefCount & operator= (const RefCount &) 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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Tue May 13 2025 sc::MOIntsTransformFactory(3)
NAME | SYNOPSIS | Detailed Description | Member Function Documentation | Author
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