Package org.jscience.chemistry.quantum.basis

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.
 

Exception Summary
BasisNotFoundException A runtime exception thrown is the requested basis is not found.