pydseamslib.cyoda.buildRefDDC

Contents

pydseamslib.cyoda.buildRefDDC#

pydseamslib.cyoda.buildRefDDC(fileName: str) Eigen::Matrix<double, -1, -1, 0, -1, -1>#

Build a reference Double-Diamond cage, reading in from a template XYZ file

Parameters:

filename (The name of the file that needs to be read)