pele.concurrent.ConnectServer.add_ts

ConnectServer.add_ts(id1, id2, E, coords, eigenval=None, eigenvec=None)

called by worker if a new transition state is found

Parameters :

id1, id2 : int

The server-side (global) ID’s of the minima on either side of the transition state. The worker is responsible for knowing the global id of the minima. This ID is returned to the worker when a minimum is added

E : float

energy of transition state

coords : array

coordinates of transition state

Returns :

ID : global id of transition state added