Macrostate

class Macrostate

The macrostate is the statistical mechanical variable to which we apply bias using flat-histogram methods. Thus, for example, in the grand canonical ensemble with a single component, the macrostate is the number of particles. To apply the flat histogram methods, the macrostate is be broken into a contiguous series of “bins”.

Subclassed by feasst::MacrostateBeta, feasst::MacrostateEnergy, feasst::MacrostateModel, feasst::MacrostateMorph, feasst::MacrostateNumParticles, feasst::MacrostatePosition

Arguments

• soft_macro_max : optionally, set a soft maximum (default: last histogram bin). These soft limits may be changed during a simulation. Note that this max is a macrostate value, not an integer bin index.

• soft_macro_min : minimum as described above (default: same as histogram). This argument also requires the use of soft_macro_max.

• Histogram arguments.