## Uses of Classorg.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

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