Added support for tuning of parallel tempering temperature set #10
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What
Added a recursion that changes the distribution of temperatures defined by the user shrinking the temperature difference of replicas with low exchange acceptance rates and vice versa. Adapted from "Markov Chain Monte Carlo Simulations and Their Statistical Analysis", Section 6.3.
Why
The recursion allows one to simulate systems at lower temperature or with certain phase transitions using fewer replicas.
How
If parameter
recursionIterations
is greater than zero it creates a secondMonteCarloStatistics()
variable that tracks the replica exchange independently and it performs a recursion everyrecursionRate
sweeps a total ofrecursionIterations
. The recursion itself is done in the root process and then shared across processes.Testing
I haven't implemented any tests yet, but it should be possible to create one which goes to lower temperatures and obtains the right values.