Uses of Classorg.openscience.cdk.math.Matrix

Packages that use Matrix
• Uses of Matrix in org.openscience.cdk.math

Methods in org.openscience.cdk.math that return Matrix
Modifier and Type
Method
Description
`Matrix`
Matrix.`add(Matrix b)`
`Matrix`
Matrix.`diagonalize(int maxNumRot)`
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
Description
`Matrix`
Matrix.`add(Matrix b)`
`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
Modifier
Constructor
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
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
Description
`Vector`
FourierGridBasis.```getValues(int index, Matrix m)```

`Vector`
GaussiansBasis.```getValues(int index, Matrix m)```
Calculates the function values.
`Vector`
IBasis.```getValues(int index, Matrix x)```
Calculates the function values.
`Vector`
Orbitals.```getValues(int index, Matrix m)```
Get the function value of a orbital
`void`
Orbitals.`setCoefficients(Matrix C)`
Set a coefficient matrix
Constructors in org.openscience.cdk.math.qm with parameters of type Matrix
Modifier
Constructor
Description
` `
```Orbitals(IBasis basis, Matrix C)```
Constructs orbitals with a specified base set and a coefficient matrix