Add options to bader IO
Using the most recent version (0.28a) of the bader code on CHGCAR files contained the all-electron density produces several unexpected results.
The positions in the Bader output are in Angstrom already causing a displacements error with
atoms = read('POSCAR')
attach_charges(atoms, 'ACF.dat')
So one must manually convert their atoms object units. The new option bader_units = 'Angstrom' or 'Bohr' allows
attach_charges(atoms, 'ACF.dat', bader_units='Angstrom')
Additionally the attach_charge method returns atom.number - charge_from_bader when in some cases one may want simply the bader values alone. The new option total_electrons=True would set atom.charge as the bader value.