ensemble.evaluation

System States

The following states are necessary in the scope of the module:

State(*args, **kwargs)	State of a molecular system.
SimpleState(position)	Simplest state of a molecular system.

Compute Quantities

quantity_map(states, quantities[, nbrs, ...])	Computes quantities of interest for all states in a trajectory.
quantity_multimap(*states, quantities[, ...])	Computes quantities of interest for all states in a trajectory.