Uses of Class
org.openscience.cdk.math.Matrix

Packages that use Matrix

Package	Description
org.openscience.cdk.math
org.openscience.cdk.math.qm

Uses of Matrix in org.openscience.cdk.math

Methods in org.openscience.cdk.math that return Matrix

Modifier and Type	Method and Description
Matrix	Matrix.add(Matrix b) Adds two matrices.
Matrix	Matrix.diagonalize(int nrot) Diagonalize this matrix with the Jacobi algorithm.
Matrix	Matrix.duplicate() Copies a matrix.
Matrix	Matrix.mul(double a) Multiplies a scalar with this Matrix.
Matrix	Matrix.mul(Matrix b) Multiplies this Matrix with another one.
Matrix	Matrix.normalize(Matrix S) Normalizes the vectors of this matrix.
Matrix	Matrix.orthonormalize(Matrix S) Orthonormalize the vectors of this matrix by Gram-Schmidt.
Matrix	Matrix.similar(Matrix U) Similar transformation Ut * M * U
Matrix	Matrix.sub(Matrix b) Subtracts from two matrices.
Matrix	Quaternion.toRotationMatrix()
Matrix	Matrix.transpose() Transposes a matrix.

Methods in org.openscience.cdk.math with parameters of type Matrix

Modifier and Type	Method and Description
Matrix	Matrix.add(Matrix b) Adds two matrices.
static Vector	Matrix.elimination(Matrix matrix, Vector vector) Solves a linear equation system with Gauss elimination.
static Quaternion	Quaternion.fromRotationMatrix(Matrix m)
Vector	IFunction.getValues(Matrix x) Return the function value The rows of the matrix x are the Parameters like x,y,z and the columns are the values which must calculated.
Matrix	Matrix.mul(Matrix b) Multiplies this Matrix with another one.
Matrix	Matrix.normalize(Matrix S) Normalizes the vectors of this matrix.
Matrix	Matrix.orthonormalize(Matrix S) Orthonormalize the vectors of this matrix by Gram-Schmidt.
Matrix	Matrix.similar(Matrix U) Similar transformation Ut * M * U
Matrix	Matrix.sub(Matrix b) Subtracts from two matrices.

Constructors in org.openscience.cdk.math with parameters of type Matrix

Constructor and Description
IMatrix(Matrix m) Creates a complex copy of a matrix

Uses of Matrix in org.openscience.cdk.math.qm

Methods in org.openscience.cdk.math.qm that return Matrix

Modifier and Type	Method and Description
Matrix	Orbitals.getCoefficients() Get the coefficient matrix
Matrix	AngularMomentum.getIminus() Calculates the I- operator
Matrix	AngularMomentum.getIplus() Calculates the I+ operator

Methods in org.openscience.cdk.math.qm with parameters of type Matrix

Modifier and Type	Method and Description
Vector	Orbitals.getValues(int index, Matrix m) Get the function value of a orbital
Vector	IBasis.getValues(int index, Matrix x) Calculates the function values.
Vector	GaussiansBasis.getValues(int index, Matrix m) Calculates the function values.
Vector	FourierGridBasis.getValues(int index, Matrix m)
void	Orbitals.setCoefficients(Matrix C) Set a coefficient matrix

Constructors in org.openscience.cdk.math.qm with parameters of type Matrix

Constructor and Description
Orbitals(IBasis basis, Matrix C) Constructs orbitals with a specified base set and a coefficient matrix