Molecule.zero¶

Molecule.zero(pos=[0, 0, 0])¶

Move whole the molecule, so that the minimal coordinate between all atoms is zero in all dimensions, or rather the values of the position variable pos. This function is basically setting the zero point of the coordinate system to pos.

Parameters:

poslist, optional: Vector of the zero point of the coordinate system

Returns:

veclist: Vector used for the translation