CartesianBasisSet is obtained from the parent basis by converting spherical harmonic shells to cartesian counterparts. More...
#include <chemistry/qc/basis/cart.h>
Inheritance diagram for sc::CartesianBasisSet:
Public Member Functions | |
| CartesianBasisSet (const Ref< KeyVal > &kv) | |
| A KeyVal constructor is used to generate a CartesianBasisSet object from the input. | |
| CartesianBasisSet (const Ref< GaussianBasisSet > &basis, Ref< Integral > integral=Integral::get_default_integral()) | |
| CartesianBasisSet (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 Ref< GaussianBasisSet > & | parent () const |
Detailed Description
CartesianBasisSet is obtained from the parent basis by converting spherical harmonic shells to cartesian counterparts.
Constructor & Destructor Documentation
| sc::CartesianBasisSet::CartesianBasisSet | ( | const Ref< KeyVal > & | kv | ) |
A KeyVal constructor is used to generate a CartesianBasisSet object from the input.
The full list of keywords that are accepted is below.
| Keyword | Type | Default | Description |
basis | GaussianBasisSet | none | parent basis |
integral | Integral | defined by environment | Integral factory |
Member Function Documentation
| void sc::CartesianBasisSet::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/cart.h