1) Updated the input xyz and pdb files so that they comply with the new i/o infrastructure
2) Added a default atomic_unit = 1 for undefined quantity
3) Modified the print_xyz/pdb unit tests, which were only testing print_file with the pdb format, to test both xyz and pdb modes.
1) Updated the input xyz and pdb files so that they comply with the new i/o infrastructure 2) Added a default atomic_unit = 1 for undefined quantity 3) Modified the print_xyz/pdb unit tests, which were only testing print_file with the pdb format, to test both xyz and pdb modes.
units test now work.