qmctorch.sampler.sampler_base module

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

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()

evaluate the number of sampling point we’ll have.