TrialStage

class TrialStage

A stage contains both a selection and perturbation. Random realizations of the perturbation are performed in a number of steps. The use of reference potentials in stages is a generalization of the dual-cut configurational bias (DC-CB) methodology as described in http://doi.org/10.1080/002689798167881.

Arguments

TrialStage(argtype *args)

args:

  • num_steps: number of Rosenbluth steps (default: 1).

  • reference_index: index of reference potential. Otherwise, if full potential is desired, set to -1 (default: -1).

  • new_only: do not compute the Rosenbluth of the old configuration (default: false).