pele.concurrent.ConnectServer.add_ts#
- ConnectServer.add_ts(id1, id2, E, coords, eigenval=None, eigenvec=None)[source]#
called by worker if a new transition state is found
- Parameters:
- id1, id2int
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
- Efloat
energy of transition state
- coordsarray
coordinates of transition state
- Returns:
- IDglobal id of transition state added