stk.PeriodicInfo
- class stk.PeriodicInfo(vector_1, vector_2, vector_3)[source]
Bases:
object
Periodic cell information for periodic systems.
Initialize a
PeriodicInfo
instance.Converts cell matrix to lengths and angles, where lengths are in Angstrom and angles are in degrees. This code is modified from the pymatgen source code [1].
- Parameters:
vector_1 (np.ndarray) – First cell lattice vector of shape (3, ) in Angstrom.
vector_2 (np.ndarray) – Second cell lattice vector of shape (3, ) in Angstrom.
vector_3 (np.ndarray) – Third cell lattice vector of shape (3, ) in Angstrom.
References
Methods
Return a clone.
Get a length.
Get alpha angle.
Get b length.
Get beta angle.
Get c length.
Get cell matrix.
Get gamma angle.
Get x vector.
Get y vector.
Get z vector.
- get_vector_1()[source]
Get x vector.
- Returns:
Cell lattice vector of shape (3, ) in x direction in Angstrom.
- Return type: