metropolis_acceptance#

libcasm.monte.methods.metropolis_acceptance(
delta_potential_energy: float,
beta: float,
random_number_generator: RandomNumberGenerator,
)[source]#

Metropolis acceptance criteria

Equivalent to:

if delta_potential_energy < 0.0:
    return True
else:
    return random_number_generator.random_real(1.0) < math.exp(
        -delta_potential_energy * beta
Parameters:

  • delta_potential_energy (float) – Change in potential energy (per_supercell) due to a proposed Monte Carlo event

  • beta (float) – The reciprocal temperature, \(eta = 1/(k_B T)\).

  • random_number_generator (RandomNumberGenerator) – Random number generator

Returns:

accept – If True, accept the event; if False, reject it.

Return type:

bool