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band_excluded_from_freeze.hpp
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1#pragma once
2
3/**
4 * BandExcludedFromFreeze — a band the energy rule wanted frozen and the
5 * singular-gauge rule kept out of the freeze, and at how many k-points.
6 *
7 * It is a fact about the dataset -- the trial orbitals have none of the
8 * character the state needs -- and the one thing about a model that should
9 * never be silent, so it travels from the classifier to the log and the
10 * results file under names rather than as a pair whose order a reader has to
11 * look up.
12 */
13
14namespace q3 {
15
16struct [[nodiscard]] BandExcludedFromFreeze {
17 /// Zero-based, within the captured window.
18 int band_index = 0;
19 int number_of_kpoints = 0;
20};
21
22} // namespace q3