Skip to main content

​
Parameters

​
mutator
MutationProtocol
required
​
temperature
float | list[float] | np.ndarray[Any, np.dtype[np.number]]
required
​
n_steps
int
required
​
acceptance_criterion
str
default:"'metropolis'"
​
experiment_name
str | None
default:"None"
​
log_frequency
int
default:"100"
​
preserve_best_system_every_n_steps
int | None
default:"None"
​
log_path
pl.Path | str | None
default:"None"
​
callbacks
list['Callback'] | None
default:"None"
​
**kwargs
Any
Additional keyword arguments.

​
Methods

​
minimize_one_step

Perform one Monte Carlo step. Parameters
​
step
int
required
​
system
System
required

​
minimize_system

Minimize system using Monte Carlo method. Parameters
​
system
System
required

​
Example

import bagel as bg

minimizer = bg.minimizer.MonteCarloMinimizer(
    mutator=bg.mutation.Canonical(n_mutations=1),
    temperature=0.2,
    n_steps=100,
    callbacks=[bg.callbacks.DefaultLogger(log_interval=10)],
)