HarmonicTransform ================= .. currentmodule:: quartic2d ``HarmonicTransform`` converts the radial angular harmonics retained by PETAL2D into the momentum-space form factors used by the four-center interaction. The ordinary constructor evaluates one explicit numerical representation; :meth:`HarmonicTransform.converge_parameters` provides an explicit convergence search when a numerical criterion is required. .. autoclass:: HarmonicTransform Typical workflow ---------------- Start from a PETAL2D decomposition, inspect the default transform, then run an explicit convergence search when the calculation needs a recorded numerical criterion:: field = HarmonicTransform(decomposition) field.plot_harmonics() result = HarmonicTransform.converge_parameters( decomposition, rtol=1e-4, q_tail_rtol=1e-3, ) if not result.converged: raise RuntimeError("harmonic-transform convergence search did not converge") field = result.transform(decomposition) field.plot_convergence() The convergence plots visualize the internal refinement tests. They do not replace an independent reference comparison when one is available. Recommended methods ------------------- .. autosummary:: :toctree: generated ~HarmonicTransform.converge_parameters ~HarmonicTransform.plot_harmonics ~HarmonicTransform.plot_convergence ~HarmonicTransform.plot ~HarmonicTransform.roundtrip_error Advanced mutation and low-level convergence ------------------------------------------- These methods are useful for controlled numerical studies. They are not a substitute for the full q-support plus quadrature workflow provided by :meth:`HarmonicTransform.converge_parameters`. .. autosummary:: :toctree: generated ~HarmonicTransform.set_method ~HarmonicTransform.set_interpolator ~HarmonicTransform.converge