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sc::MOIntsRuntime Class Reference
MOIntsRuntime provides runtime support for computing 1-body and 2-body (2-, 3-, and 4-center) MO-basis integrals (with or without density fitting). More...
#include <chemistry/qc/lcao/moints_runtime.h>
Inheritance diagram for sc::MOIntsRuntime:
Public Types | |
| typedef MOIntsRuntime | this_type |
Public Member Functions | |
| MOIntsRuntime (const Ref< MOIntsTransformFactory > &factory, const Ref< DensityFittingParams > &dfparams=0) | |
| give density fitting basis to enable density fitting, when possible | |
| MOIntsRuntime (StateIn &) | |
| 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 | obsolete () |
| obsoletes this object | |
| const Ref< MOIntsTransformFactory > & | factory () const |
| factory for creating AO->MO transforms for 2-body integrals | |
| const Ref< DensityFittingParams > & | dfparams () const |
| density fitting parameters | |
| const Ref< DensityFittingRuntime > & | runtime_df () const |
| runtime for density fitting matrices. Returns null if density fitting basis was not given. | |
| const Ref< TwoBodyTwoCenterMOIntsRuntime > & | runtime_2c () const |
| runtime for 2-body 2-center integrals | |
| const Ref< TwoBodyThreeCenterMOIntsRuntime > & | runtime_3c () const |
| runtime for 2-body 3-center integrals | |
| const Ref< TwoBodyFourCenterMOIntsRuntime > & | runtime_4c () const |
| runtime for 2-body 4-center integrals | |
 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. | |
| Public Member Functions inherited from sc::DescribedClass | |
| DescribedClass (const DescribedClass &) | |
| DescribedClass & | operator= (const DescribedClass &) |
| ClassDesc * | class_desc () const MPQC__NOEXCEPT |
| 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. | |
| Ref< DescribedClass > | ref () |
| Return this object wrapped up in a Ref smart pointer. | |
| Public Member Functions inherited from sc::RefCount | |
| size_t | identifier () const |
| Return the unique identifier for this object that can be compared for different objects of different types. | |
| 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 |
| Return 1 if the object is managed. Otherwise return 0. | |
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
MOIntsRuntime provides runtime support for computing 1-body and 2-body (2-, 3-, and 4-center) MO-basis integrals (with or without density fitting).
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:
- src/lib/chemistry/qc/lcao/moints_runtime.h