References and Equations

Committor Analysis

Class to run relaxation/minimization/one-way-shooting until it falls into a basin

At the moment, only square boxes is implemented for committing criteria. Meaning, for each basin, one can define a box of [[x1_min, x1_max], [x2_min, x2_max], …, [xn_min, xn_max]] once the simulation enter one of the basin boxes, the simulation will stop.