qmctorch.sampler.walkers module¶
-
class
qmctorch.sampler.walkers.
Walkers
(nwalkers: int = 100, nelec: int = 1, ndim: int = 3, init: Optional[Dict[KT, VT]] = 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: Union[None, <sphinx.ext.autodoc.importer._MockObject object at 0x7f59aa4d4590>] = None)[source]¶ Initalize the position of the walkers
Parameters: Raises: ValueError
– if the method is not recognized