ensemble.evaluation.State#
- class State(*args, **kwargs)[source]#
State of a molecular system.
All states must at least prescribe the particle positions. Other attributes, such as velocities, forces, etc., might be necessary for some instantaneous quantities.
- Variables:
position (jax.Array | numpy.ndarray | numpy.bool | numpy.number | bool | int | float | complex) – Particle positions
Methods
__init__(*args, **kwargs)Attributes