MOIntsTransformFactory is a factory that produces MOIntsTransform objects. More...
#include <transform_factory.h>
Inheritance diagram for sc::MOIntsTransformFactory:
Collaboration diagram for sc::MOIntsTransformFactory:
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. More... | |
| 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. More... | |
| 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. More... | |
| virtual void | save_vbase_state (StateOut &) |
| Save the virtual bases for the object. More... | |
| 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. More... | |
| 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. More... | |
| 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. More... | |
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. More... | |
| 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. More... | |
| 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
◆ save_data_state()
|
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: