Search Java Classes and Packages
#Org.jscience.chemistry.quantum Classes and Interfaces - 32 results found.
| Name | Description | Type | Package | Framework |
| Atom | This class define the structure of an AtomConstructor SummaryAtom(java. | Class | org.jscience.chemistry.quantum | JScience |
| AtomicBasis | Represents a single entity in a BasisSetConstructor SummaryAtomicBasis(java. | Class | org.jscience.chemistry.quantum.basis | JScience |
| AtomInfo | The default AtomProperty configuration. | Class | org.jscience.chemistry.quantum | JScience |
| BasisFunctions | Class | org.jscience.chemistry.quantum | JScience | |
| BasisNotFoundException | A runtime exception thrown is the requested basis is not found. | Class | org.jscience.chemistry.quantum.basis | JScience |
| BasisReader | This class provides the means to read a basis set stored in XML format and convert it into appropriate datastructure representation. | Class | org.jscience.chemistry.quantum.basis | JScience |
| BasisSet | Represents an entire basis set (say sto-3g . | Class | org.jscience.chemistry.quantum.basis | JScience |
| ContractedGaussian | The class defines a contracted gaussian and the operations on it. | Class | org.jscience.chemistry.quantum.basis | JScience |
| DensityGuesser | An external guess for Density Matrix (DM) should implement this interface. | Interface | org.jscience.chemistry.quantum | JScience |
| Diagonalizer | Abstract class defining how a matrix diagonalizers public interfaces Caution! Diagonalizers only work with real square matrices ;) | Class | org.jscience.chemistry.quantum.math.la | JScience |
| DiagonalizerFactory | Supplying Diagonalizers! Follows a singleton pattern. | Class | org.jscience.chemistry.quantum.math.la | JScience |
| DiagonalizerType | Specifies the diagonalizer types, like JACOBI etc. | Class | org.jscience.chemistry.quantum.math.la | JScience |
| HartreeFockSCFMethod | evaluation of a molecule. | Class | org.jscience.chemistry.quantum | JScience |
| Integrals | The equations herein are based upon: 'Gaussian Expansion Methods for Molecular Orbitals. | Class | org.jscience.chemistry.quantum.integral | JScience |
| JacobiDiagonalizer | Jacobi diagonalization attempts to diagonalize a matrix such that after O(N3) operations, the off-diagonal elements are made zero. | Class | org.jscience.chemistry.quantum.math.la | JScience |
| MathUtils | A collection of few misc. | Class | org.jscience.chemistry.quantum.math.util | JScience |
| Matrix | A general NxM real matrix. | Class | org.jscience.chemistry.quantum.math.matrix | JScience |
| Molecule | Class | org.jscience.chemistry.quantum | JScience | |
| OneElectronIntegrals | The 1E integral (overlap S matrix) and 1E Hamiltonian matrices driver. | Class | org.jscience.chemistry.quantum | JScience |
| Orbital | Represents an orbital type and its coefficients and exponents inConstructor SummaryOrbital(java. | Class | org.jscience.chemistry.quantum.basis | JScience |
| Point3D | A class representing a point in 3D space. | Class | org.jscience.chemistry.quantum.math.util | JScience |
| Power | Represents the powers on orbitals. | Class | org.jscience.chemistry.quantum.basis | JScience |
| PowerList | Orbital symbol to power list map. | Class | org.jscience.chemistry.quantum.basis | JScience |
| PrimitiveGaussian | The class defines a primitive gaussian (PG) and the operations on it. | Class | org.jscience.chemistry.quantum.basis | JScience |
| SCFEvent | Represents an event in sn SCF cycleSee Also:Serialized Form | Class | org.jscience.chemistry.quantum.event | JScience |
| SCFEventListener | Interface | org.jscience.chemistry.quantum.event | JScience | |
| SCFMethod | An abstract class representing the Self Consistant Field (SCF) method like Hartree-Fock, MP2 etc. | Class | org.jscience.chemistry.quantum | JScience |
| SCFMethodFactory | Factory of SCF methods. | Class | org.jscience.chemistry.quantum | JScience |
| SCFType | SCF Type enumeration. | Class | org.jscience.chemistry.quantum | JScience |
| TwoElectronIntegrals | The 2E integral driver. | Class | org.jscience.chemistry.quantum | JScience |
| Vector3D | A special class representing R^3 vector. | Class | org.jscience.chemistry.quantum.math.vector | JScience |
| VectorND | Defines an R^n space vector. | Class | org.jscience.chemistry.quantum.math.vector | JScience |