qmctorch.sampler.walkers module
- class qmctorch.sampler.walkers.Walkers(nwalkers: int = 100, nelec: int = 1, ndim: int = 3, init: Dict | None = None, cuda: bool = False)[source]
Bases:
object
Creates Walkers for the sampler.
- Parameters:
nwalkers (int, optional) – Number of walkers. Defaults to 100.
nelec (int, optional) – number of electron. Defaults to 1.
ndim (int, optional) – Number of dimensions. Defaults to 3.
init (dict, optional) – method to initialize the walkers. Defaults to None. (see Molecule.domain())
cuda (bool, optional) – turn cuda ON/OFF. Defaults to False
- initialize(pos: None | torch.Tensor = None)[source]
Initalize the position of the walkers
- Parameters:
- Raises:
ValueError – if the method is not recognized