pytc.vmc.moves._all_electron_move

pytc.vmc.moves._all_electron_move(ansatz, walker, step_size, key, params, batch_ansatz=None)[source]

Move all electrons at once for each walker.

Parameters:

  • ansatz – Wavefunction object

  • walker – Walker dataclass with current state (batched)

  • step_size – Standard deviation of Gaussian proposal

  • key – PRNG key

  • params – Parameters for the ansatz

  • batch_ansatz – Optional pre-vmapped ansatz function

Returns:

Walker with proposed new positions and all-True move_mask psi_values: Wavefunction values for current walker new_psi_values: Wavefunction values for proposals current_walker: Updated current walker (if ansatz updates it)

Return type:

proposals