SemiGrandCanonicalPotential

class libcasm.monte.ising_cpp.semigrand_canonical.SemiGrandCanonicalPotential(

self: SemiGrandCanonicalPotential,

system: IsingSystem,

)

Bases: pybind11_object

Calculates the semi-grand canonical energy and changes in energy

Constructor

Parameters:

system (IsingSystem) – Holds parameterized formation energy and parametric composition calculators, without specifying at a particular state.

Methods

occ_delta_per_supercell(…)	Calculate the change in semi-grand canonical energy (per_supercell) due to changing 1 or more sites
occ_event_delta_per_supercell(…)	Calculate the change in semi-grand canonical energy (per_supercell) due to an event
per_supercell(…)	Calculates semi-grand canonical energy (per supercell)
per_unitcell(…)	Calculates semi-grand canonical energy (per unitcell)
set_state(…)	Set the state the potential is calculated for.