Displacement Trial Move 1. Specification
Gives new configuration of same volume and number of molecules
Basic trial:
- displace a randomly selected atom to a point chosen with uniform probability inside a cubic volume of edge 2d centered on the current position of the atom
Limiting probability distribution
- canonical ensemble
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- for this trial move, probability ratios are the same in other common ensembles, so the algorithm described here pertains to them as well
Examine underlying transition probabilities to formulate acceptance criterion