pytc.vmc.hamiltonian.compute_single_walker_energy

pytc.vmc.hamiltonian.compute_single_walker_energy(sj, walker, jastrow_params)[source]

Compute energy for a single walker.

Parameters:
  • sj – SlaterJastrow ansatz object

  • walker – Walker object containing positions and Slater matrices

  • jastrow_params – Jastrow parameters

Returns:

Local energy value