qmctorch.wavefunction.jastrows.elec_elec.kernels.fully_connected_jastrow_kernel module

class qmctorch.wavefunction.jastrows.elec_elec.kernels.fully_connected_jastrow_kernel.FullyConnectedJastrowKernel(*args: Any, **kwargs: Any)[source]

Bases: JastrowKernelElectronElectronBase

Defines a fully connected jastrow factors.

get_var_weight()[source]

define the variational weight.

get_static_weight()[source]

Get the matrix of static weights

Returns:

static weight (0.5 (0.25) for parallel(anti) spins

Return type:

torch.tensor

forward(x)[source]

Compute the kernel values

Parameters:

x (torch.tensor) – e-e distance Nbatch, Nele_pairs

Returns:

values of the f_ij

Return type:

torch.tensor