Force truth (ε_F)

Force-resolution helpers for ε_F microstate references.

atom_hifi.training.force_truth.load_kappa_table()

Load packaged QHO force-stiffness table.

Return type:

dict

atom_hifi.training.force_truth.kappa_table_version()

Return type:

str

atom_hifi.training.force_truth.qho_force_kappa(element)

Return QHO κ = m<ω²> for force-resolution scaling (eV/Ų).

Parameters:

element (str)

Return type:

float

atom_hifi.training.force_truth.force_eps_from_curve(element, *, f_tol, sigma_rattle, mean_eps)

Interpolate ε_F from cached ε(σ) calibration curve.

Returns (eps_F, u_star) where u_star = F_tol / κ.

Parameters:

• element (str)

• f_tol (float)

Return type:

tuple[float, float]