PerturbVolume

class PerturbVolume : public feasst::Perturb

Change the volume of the system uniformly randomly in \(\ln V\).

Arguments

PerturbVolume(argtype args = argtype())

args:

• uniform_volume: if true, change volume uniformly in V instead of \(\ln V\) (default: false).

• uniform_volume_max_fraction: if uniform_volume, maximum change as fraction of the total volume (default: 0.2).

• constrain_volume_change: if true, use the previous volume change to do the opposite for use as the second stage in Gibbs ensemble (default: false).

• Tunable arguments.