helpme_py.LatticeType¶
- class helpme_py.LatticeType¶
The representation of the Lattice vectors.
- Parameters:
value – Selects which representation to take, where 1 corresponds to an XAligned representation and 2 corresponds to a ShapeMatrix representation.
- XAligned¶
Makes the A vector coincide with the X axis, the B vector fall in the XY plane, and the C vector take the appropriate alignment to completely define the system.
- ShapeMatrix¶
Enforces a symmetric representation of the lattice vectors [c.f. S. Nosé and M. L. Klein, Mol. Phys. 50 1055 (1983)] particularly appendix C.
- __init__(self: helpme_py.LatticeType, value: SupportsInt) None¶
Methods
__init__(self, value)Attributes
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