pele.transition_states.minima_from_ts#
- pele.transition_states.minima_from_ts(pot, xt, n=None, quench=None, stepmin=0.01, **kwargs)[source]#
step off either side of a transition state and quench to find the minima
- Parameters:
- potpotential object
- xtarray
transition state coords
- narray
direction to step off
- quenchcallable
routine to use to do the quenching
- kwargsdict
parameters to pass to determine_pushoff