On each atom in an “accelerate group” an acceleration
:math:`\mathbf{a}^g` is imposed. This is equivalent to
- an external force. This feature makes it possible to drive the
- system into a non-equilibrium state and enables the performance of
- non-equilibrium MD and hence to obtain transport properties.
- (Deprecated)
+ a mass-weighted external force. This feature makes it possible to
+ drive the system into a non-equilibrium state to compute,
+ for example, transport properties.
energy-monitor group