Loading...
Searching...
No Matches
Public Types |
Public Member Functions |
Static Public Member Functions |
Static Public Attributes |
List of all members
sc::IntParamsG12 Class Reference
Used to pass params to Integral::g12(). More...
#include <chemistry/qc/basis/intparams.h>
Inheritance diagram for sc::IntParamsG12:
Public Types | |
| typedef std::pair< double, double > | PrimitiveGeminal |
| std::pair< g, c > as in c * exp( - g*r12^2) | |
| typedef std::vector< PrimitiveGeminal > | ContractedGeminal |
Public Member Functions | |
| IntParamsG12 (const ContractedGeminal &bra) | |
| Request integrals with only 1 geminal (g12, g12/r12, [Ti,g12]) | |
| IntParamsG12 (const ContractedGeminal &bra, const ContractedGeminal &ket) | |
| Request integrals with 2 geminals (g12*g12', [g12,[T1,g12']], [Ti,g12*g12']) | |
| IntParamsG12 (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. | |
| const ContractedGeminal & | bra () const |
| const ContractedGeminal & | ket () const |
 Public Member Functions inherited from sc::IntParams | |
| IntParams (unsigned int nparams=0) | |
| IntParams (StateIn &) | |
| unsigned int | nparams () const |
| Some IntParams implementations can have a variable number of params; otherwise this will return 0. | |
| 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. | |
Static Public Member Functions | |
| static PrimitiveGeminal | product (const PrimitiveGeminal &A, const PrimitiveGeminal &B) |
| static ContractedGeminal | product (const ContractedGeminal &A, const ContractedGeminal &B) |
| 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) |
Static Public Attributes | |
| static ContractedGeminal | zero_exponent_geminal |
| 1 = e^(-0.0 * r_{12}^2) | |
| static ContractedGeminal | null_geminal |
| null (i.e., invalid) geminal | |
Additional Inherited Members | |
| Protected Member Functions inherited from sc::IntParams | |
| template<typename T > | |
| const T * | downcast (const IntParams &p) const |
| 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
Used to pass params to Integral::g12().
Represents (a pair of) linear combinations of exponentials: 
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::IntParams.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/intparams.h