#include <init.hpp>

Inheritance diagram for q3::QuantumSystemProvenanceRecord:

Public Member Functions
	QuantumSystemProvenanceRecord (const InputData &input)

virtual	~QuantumSystemProvenanceRecord ()=default

nlohmann::json	to_json () const
	The provenance block, grouped the way the consumer's record is.

Protected Member Functions
virtual void	add_representation_method_details (nlohmann::json &) const

const InputData &	input () const
	The input the calculation consumed, for a subclass to report on in turn.

Detailed Description

Definition at line 69 of file init.hpp.

Constructor & Destructor Documentation

◆ QuantumSystemProvenanceRecord()

q3::QuantumSystemProvenanceRecord::QuantumSystemProvenanceRecord ( const InputData & input )

inlineexplicit

Definition at line 71 of file init.hpp.

◆ ~QuantumSystemProvenanceRecord()

virtual q3::QuantumSystemProvenanceRecord::~QuantumSystemProvenanceRecord ( )

virtualdefault

Member Function Documentation

◆ add_representation_method_details()

virtual void q3::QuantumSystemProvenanceRecord::add_representation_method_details ( nlohmann::json & ) const

inlineprotectedvirtual

Hook: add what the concrete representation contributes to "method".

The base record describes a quantum system that has been solved; it cannot say what a basis set or a dataset was, because at this level there is none. A subclass that knows one adds it here.

Reimplemented in q3::PlanewaveProvenanceRecord, and q3::PseudopotentialProvenanceRecord.

Definition at line 103 of file init.hpp.

◆ input()

const InputData & q3::QuantumSystemProvenanceRecord::input ( ) const

inlineprotected

The input the calculation consumed, for a subclass to report on in turn.

Definition at line 92 of file init.hpp.

Referenced by q3::PlanewaveProvenanceRecord::add_representation_method_details().

◆ to_json()

nlohmann::json q3::QuantumSystemProvenanceRecord::to_json ( ) const

inline

The provenance block, grouped the way the consumer's record is.

Definition at line 75 of file init.hpp.

References q3::InputData::is_relaxation_step, q3::InputData::relax_energy_threshold, q3::InputData::relax_force_threshold, and q3::InputData::relax_maximum_steps.

The documentation for this class was generated from the following file:

src/io/provenance/init.hpp

Public Member Functions

Protected Member Functions