Flat histogram¶
Flat histogram Monte Carlo methods bias the system along a macrostate, or order parameter, to observe uniform sampling and recover the free energy as a function of this order parameter.
FlatHistogram
contains a Macrostate
and a Bias
.
The Macrostate
could be the number of particles
or some other quantity such as the energy or a parameter of a model.
The method of Bias
includes Wang-Landau
and Transition-Matrix
.
Importantly, the Bias
computes the probability distribution of the macrostate
on the fly, which is related to the free energy.
Tutorial¶
- Analysis of a hard sphere simulation
- Grand canonical ensemble transition-matrix Monte Carlo
- Analysis of a one-phase (supercritical) simulation
- Analysis of a two-phase (phase separated) simulation
- Grand canonical ensemble transition-matrix Monte Carlo with SPC/E
- Parallelize a flat histogram simulation
- Grand canonical ensemble transition-matrix Monte Carlo with RPM
- Ideal gas equation of state using grand canonical ensemble transition-matrix Monte Carlo
Tools¶
For restarting multicore simulations, see /path/to/feasst/plugin/flat_histogram/tools/restart.cpp