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kinetic monte carlo
Id numbers for vacancies were introduced back when there was the notion that each vacancy had an identity which was preserved when they move around the board. Not only is this an inconsequential detail, but it is also no longer even true.
Lately, I've been trying to avoid using them entirely in code outside of State
, to get an idea of how a strictly-node-based API feels. (it's not bad!)
They also serve little purpose inside State either; it is just because vacancies/trefoils are dicts, which are not hashable. By using namedtuples instead we can just create sets of the actual objects, and place the objects directly in __owner
(unresolved question: clone
uses pickle
. If I do this, will each reference to the same vacancy/trefoil be individually pickled?)
From FIXME here.
Currently the same code that chooses which move to perform also performs it, changing the state. It would be useful if we could prevent the change from occurring so that we can choose many moves for the same state (enabling us to test the probability distribution).
From FIXME here.
The necessary foundation for dealing with Kinds is all there, I just need to begin actually using it.
This will likely require the addition of methods to grid
which enable one to distinguish between the two types of neighbor-relationships we want to add Kinds for.
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