Ligands.rotateLigandsZ - asche1/PyCrystalField GitHub Wiki

Ligands.rotateLigandsZ

Ligands.rotateLigandsZ(oldaxis)

Rotates the ligands around the z axis so that oldaxis becomes the x axis. (Note that is recommended to use the importCIF function to define axes rather than correcting them after the fact.)

Parameters

  • oldaxis: numpy array giving 3D vector of what will be defined as the x axis