Module: matrixtools
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: Gareth Tribello |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| COVARIANCE_MATRIX | Calculate a covariance matix |
| DETERMINANT | Calculate the determinant of a matrix |
| DIAGONALIZE | Calculate the eigenvalues and eigenvectors of a square matrix |
| DISSIMILARITIES | Calculate the matrix of dissimilarities between a trajectory of atomic configurations. |
| INVERT_MATRIX | Calculate the inverse of the input matrix |
| MATRIX_PRODUCT | Calculate the product of two matrices |
| MATRIX_VECTOR_PRODUCT | Calculate the product of the matrix and the vector |
| OUTER_PRODUCT | Calculate the outer product matrix of two vectors |
| TRANSPOSE | Calculate the transpose of a matrix |
| VORONOI | Do a voronoi analysis |