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

class qmctorch.wavefunction.jastrows.elec_elec.kernels.fully_connected_jastrow_kernel.FullyConnectedJastrowKernel(nup, ndown, cuda, size1=16, size2=8, activation=<sphinx.ext.autodoc.importer._MockObject object>, include_cusp_weight=True)

Bases: qmctorch.wavefunction.jastrows.elec_elec.kernels.jastrow_kernel_electron_electron_base.JastrowKernelElectronElectronBase

Defines a fully connected jastrow factors.

get_var_weight()

define the variational weight.

get_static_weight()

Get the matrix of static weights

Returns:static weight (0.5 (0.25) for parallel(anti) spins Return type:torch.tensor

forward(x)

Compute the kernel values

Parameters:x (torch.tensor) – e-e distance Nbatch, Nele_pairs Returns:values of the f_ij Return type:torch.tensor