class pele.landscape.ConnectManager(database, strategy='random', list_len=20, clust_min=4, Emax=None, untrap_nlevels=20, verbosity=1)[source]

class to manage which minima to try to connect

Parameters :

database : pele Database object

strategy : string

define the default strategy for the connect runs. Can be one of [“random”, “combine”, “untrap”, “gmin”]


Organize which minima pairs to submit for double ended connect jobs. This class chooses between the different selection strategies. The actual strategies are implemented in separate classes.

Selection strategies:

  1. “random” : choose two minima randomly
  2. “gmin” : connect all minima to the global minimum
  3. “combine” : try to connect disconnected clusters of minima.
  4. “untrap” : try to eliminate non-physical barriers to the global minimum


get_connect_job([strategy]) return the next connect job according to the chosen strategy
untried(min1, min2) return true if this minima pair have not been tried yet

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