Quantum 3xplorer (Q3)
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init.hpp
Go to the documentation of this file.
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#pragma once
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/**
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* KohnShamQuantumSystemCheckpoint — Kohn-Sham level quantum system checkpoint.
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*
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* Provides the typed save/load interface for persisting SCF state
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* using the KohnShamQuantumSystemSnapshot DTO.
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*/
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#include <string>
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#include "
io/quantum_system/init.hpp
"
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#include "
io/quantum_system/kohn_sham/snapshot.hpp
"
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namespace
q3
{
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class
KohnShamQuantumSystemCheckpoint
:
public
QuantumSystemCheckpoint
{
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public
:
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~KohnShamQuantumSystemCheckpoint
()
override
=
default
;
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/**
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* Save a quantum system snapshot to file.
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*/
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virtual
bool
save
(
const
std::string& filename,
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const
KohnShamQuantumSystemSnapshot
& snapshot,
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bool
save_wavefunctions =
false
)
const
= 0;
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/**
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* Load a quantum system snapshot from file.
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*/
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virtual
bool
load
(
const
std::string& filename,
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KohnShamQuantumSystemSnapshot
& snapshot)
const
= 0;
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};
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}
// namespace q3
q3::KohnShamQuantumSystemCheckpoint
Definition
init.hpp:17
q3::KohnShamQuantumSystemCheckpoint::save
virtual bool save(const std::string &filename, const KohnShamQuantumSystemSnapshot &snapshot, bool save_wavefunctions=false) const =0
q3::KohnShamQuantumSystemCheckpoint::load
virtual bool load(const std::string &filename, KohnShamQuantumSystemSnapshot &snapshot) const =0
q3::KohnShamQuantumSystemCheckpoint::~KohnShamQuantumSystemCheckpoint
~KohnShamQuantumSystemCheckpoint() override=default
q3::QuantumSystemCheckpoint
Definition
init.hpp:15
init.hpp
q3
Definition
q3_core_api.hpp:33
snapshot.hpp
q3::KohnShamQuantumSystemSnapshot
Definition
snapshot.hpp:18
src
io
quantum_system
kohn_sham
init.hpp
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