qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.jastrow_kernel_electron_electron_nuclei_base module
- class qmctorch.wavefunction.jastrows.elec_elec_nuclei.kernels.jastrow_kernel_electron_electron_nuclei_base.JastrowKernelElectronElectronNucleiBase(*args: Any, **kwargs: Any)[source]
Bases:
Module
Base Class for the elec-elec-nuc jastrow kernel
- Parameters:
- forward(x)[source]
Compute the values of the kernel
- Parameters:
x (torch.tensor) – e-e and e-n distances distance (Nbatch, Natom, Nelec_pairs, 3) the last dimension holds the values [R_{iA}, R_{jA}, r_{ij}] in that order.
- Returns:
values of the kernel (Nbatch, Natom, Nelec_pairs, 1)
- Return type:
torch.tensor