Acetyl fluoride molecule in a cell with no periodicity.
()
| 80 | |
| 81 | |
| 82 | def get_complex_finite(): |
| 83 | """Acetyl fluoride molecule in a cell with no periodicity.""" |
| 84 | mol = molecule("CH3COF") |
| 85 | mol.set_cell([5, 5, 5]) |
| 86 | mol.center() |
| 87 | return mol |
| 88 | |
| 89 | |
| 90 | def assert_symmetries( |
no test coverage detected