Searched refs:boxed_molecule (Results 1 – 2 of 2) sorted by relevance
| /dports/science/py-abipy/abipy-0.9.0/abipy/core/tests/ |
| H A D | test_structure.py | 230 … bmol = Structure.boxed_molecule(pseudos, cart_coords=[[0, 0, 0], [5, 5, 5]], acell=[10, 10, 10])
|
| /dports/science/py-abipy/abipy-0.9.0/abipy/core/ |
| H A D | structure.py | 348 def boxed_molecule(cls, pseudos, cart_coords, acell=3*(10,)): member in Structure
375 return cls.boxed_molecule([pseudo], cart_coords, acell=acell)
|