sc::UncontractedBasisSet Class Reference
The UncontractedBasisSet class is used to form uncontracted Gaussian basis sets. More...
#include <chemistry/qc/basis/uncontract.h>
Inheritance diagram for sc::UncontractedBasisSet:
Public Member Functions | |
| UncontractedBasisSet (const Ref< KeyVal > &) | |
| The KeyVal constructor. | |
| UncontractedBasisSet (const Ref< GaussianBasisSet > &) | |
| Uncontract the given GaussianBasisSet object. | |
| UncontractedBasisSet (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. | |
Protected Member Functions | |
| void | uncontract (const Ref< GaussianBasisSet > &) |
Detailed Description
The UncontractedBasisSet class is used to form uncontracted Gaussian basis sets.Constructor & Destructor Documentation
The KeyVal constructor.
It does not call the basis class KeyVal constructor.
basis- The gives the GaussianBasisSet object that will be uncontracted to form this basis set.
| sc::UncontractedBasisSet::UncontractedBasisSet | ( | const Ref< GaussianBasisSet > & | ) |
Uncontract the given GaussianBasisSet object.
Member Function Documentation
| void sc::UncontractedBasisSet::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::GaussianBasisSet.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/uncontract.h