init.hpp

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#pragma once
 
/**
 * PlanewaveKohnShamQuantumSystemCheckpoint — planewave-level base + snapshot.
 *
 * PlanewaveKohnShamQuantumSystemSnapshot extends KohnShamQuantumSystemSnapshot
 * with planewave-specific wavefunction coefficients.
 *
 * PlanewaveKohnShamQuantumSystemCheckpoint inherits save/load from the
 * KS level — format-specific implementations (Q3, HDF5, etc.) override there.
 */
 
#include <vector>
 
#include "io/quantum_system/kohn_sham/init.hpp"
 
namespace q3 {
 
/**
 * Planewave extension of the KS snapshot.
 *
 * Adds the full wavefunction expansion coefficients in the planewave basis,
 * indexed as [kpoint_state][band][plane_wave].
 */
struct PlanewaveKohnShamQuantumSystemSnapshot : KohnShamQuantumSystemSnapshot {
    std::vector<std::vector<std::vector<Complex>>> wavefunction_coefficients;
};
 
/**
 * Planewave-level checkpoint base.
 *
 * Inherits save/load interface from KohnShamQuantumSystemCheckpoint.
 * Leaf implementations (Q3, HDF5, etc.) provide the actual I/O.
 */
class PlanewaveKohnShamQuantumSystemCheckpoint : public KohnShamQuantumSystemCheckpoint {
  public:
    ~PlanewaveKohnShamQuantumSystemCheckpoint() override = default;
};
 
} // namespace q3