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init.hpp
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1#pragma once
2
3/**
4 * KohnShamQuantumSystemCheckpoint — Kohn-Sham level quantum system checkpoint.
5 *
6 * Provides the typed save/load interface for persisting SCF state
7 * using the KohnShamQuantumSystemSnapshot DTO.
8 */
9
10#include <string>
11
14
15namespace q3 {
16
18 public:
20
21 /**
22 * Save a quantum system snapshot to file.
23 */
24 virtual bool save(const std::string& filename,
25 const KohnShamQuantumSystemSnapshot& snapshot,
26 bool save_wavefunctions = false) const = 0;
27
28 /**
29 * Load a quantum system snapshot from file.
30 */
31 virtual bool load(const std::string& filename,
32 KohnShamQuantumSystemSnapshot& snapshot) const = 0;
33};
34
35} // namespace q3
virtual bool save(const std::string &filename, const KohnShamQuantumSystemSnapshot &snapshot, bool save_wavefunctions=false) const =0
virtual bool load(const std::string &filename, KohnShamQuantumSystemSnapshot &snapshot) const =0
~KohnShamQuantumSystemCheckpoint() override=default