def displayCentralRegionAtoms(atomic_configuration): ''' This function will print information about the atoms located in the central region of a two-probe system. This information involves: * Internal order (number) * Element type * Cartesian coordinates of the atom ''' print 'Central region atomic configuration:' print '='*50 print 'Number\tElement\tCartesian coordinates (Ang)' for i in range(len(atomic_configuration.elements())): print i,'\t',atomic_configuration.elements()[i].symbol(),'\t', for x in atomic_configuration.cartesianCoordinates()[i]: print x.inUnitsOf(Angstrom),'\t', print print '='*50