Adsorption.add_mol¶

Adsorption.add_mol(num, is_move=True, name='', struct='')¶

Add a molecule to the system. The interaction matrix is set up and filled with empty values.

Parameters:	num : integer, list Number of molecules to be added is_move : bool, optional True to move molecule during simulation name : string, optional Molecule name struct : string, optional File link to structure file