|
Class Summary |
| AtomicBasis |
Represents a single entity in a BasisSet |
| BasisReader |
This class provides the means to read a basis set stored in XML format
and convert it into appropriate datastructure representation. |
| BasisSet |
Represents an entire basis set (say sto-3g ... etc.) |
| ContractedGaussian |
The class defines a contracted gaussian and the operations on it. |
| Orbital |
Represents an orbital type and its coefficients and exponents in
AtomicBasis. |
| Power |
Represents the powers on orbitals. |
| PowerList |
Orbital symbol to power list map. |
| PrimitiveGaussian |
The class defines a primitive gaussian (PG) and the operations on it. |