pytc.vmc.sampling.burn_in

pytc.vmc.sampling.burn_in(ansatz, walkers, n_steps=2000, step_size=0.01, key=None, params=None, report_interval=100, move_type='one', max_vmap_batch_size=0, mesh=None)[source]

Perform burn-in steps for MCMC sampling.

Parameters:

  • ansatz – Wavefunction object

  • walkers – Initial walker configurations

  • n_steps – Number of burn-in steps

  • step_size – Step size for MCMC proposals, std dev of Gaussian

  • key – PRNG key

  • params – Parameters for the ansatz, including jastrow and linear coefficients

  • report_interval – How often to print progress

Returns:

Tuple of (equilibrated_walkers, acceptance_history, new_key)