Module real 

Real-space terms of the Ewald sum.

Upstream: _realsw* and _realcw* of lattice/_esum.pyx. The bounded Kambe integrals at small splits are a treams-rs extension.

Enums

RealKambe 🔒

How the real-space terms take their Kambe integrals (kambe_jet).

Functions

kambe_floor 🔒

The error, in units of epsilon, up to which SmallSplitKambe::get keeps the closed forms of the Kambe integral of a real-space term with the factor factor: what leaves less in each component of the term than the rounding largest of the largest term so far, carried by the value of the factor or, where that vanishes (off-axis orders on a 1D spherical axis, odd l + m in a 2D plane), by its derivatives.

kambe_jet 🔒

Kambe integral of order n at z of a real-space term with the factor factor, with its z derivative -z I_(n+2), or its eta derivative alone.

real_term 🔒

One real-space summand at the displacement r = -shift - R.

small_split_kambe 🔒

I_n and, for jets, I_(n+2) at z in RealKambe::SmallSplit, storing their bounds in the term with the factor factor in bound.

spherical_from_radial 🔒

A spherical real-space term from its already evaluated radial integral.

spherical_radial 🔒

The radial integral shared by all spherical orders of one degree at a point. Used only above the small-split cancellation regime, where the integral does not depend on the harmonic’s rounding budget.