qmctorch.sampler.sampler_base module

class qmctorch.sampler.sampler_base.SamplerBase(nwalkers, nstep, step_size, ntherm, ndecor, nelec, ndim, init, cuda)[source]

Bases: object

Base class for the sampler

Parameters:

  • nwalkers (int) – number of walkers

  • nstep (int) – number of MC steps

  • step_size (float) – size of the steps in bohr

  • ntherm (int) – number of MC steps to thermalize

  • ndecor (int) – unmber of MC steps to decorellate

  • nelec (int) – number of electrons in the system

  • ndim (int) – number of cartesian dimension

  • init (dict) – method to initialize the walkers

  • cuda ([type]) – [description]

get_sampling_size()[source]

evaluate the number of sampling point we’ll have.