deeperwin.hamiltonian.calculate_forces

deeperwin.hamiltonian.calculate_forces(log_sqr_func, params, r, R, Z, fixed_params, log_psi_sqr, config: deeperwin.configuration.ForceEvaluationConfig, poly_coeffs=None)[source]: Calculates the forces following closely the work of https://doi.org/10.1103/PhysRevLett.94.036404 by using antithetic sampling and per default fitting a polynomial to the force density close to the nuclei.