madness::CISResults Class Reference

#include <Results.h>

Inheritance diagram for madness::CISResults:

Collaboration diagram for madness::CISResults:

Classes
struct	excitation_info

Public Member Functions
	CISResults ()=default
	CISResults (const nlohmann::json &j)
	construct from JSON
	CISResults (long nfreeze, const std::string &model)
	constructor with nfreeze and model
void	from_json (const nlohmann::json &j) override
std::string	key () const override
nlohmann::json	to_json () const override
	serialize the results to a JSON object
Public Member Functions inherited from madness::ResultsBase
	ResultsBase ()=default
virtual	~ResultsBase ()=default

Public Attributes
std::vector< excitation_info >	excitations
std::string	model = "unknown"
long	nfreeze = -1

Constructor & Destructor Documentation

CISResults() [1/3]

madness::CISResults::CISResults ( )

default

Referenced by madness::CC2Results::CC2Results(), madness::CC2Results::CC2Results(), and madness::CC2Results::CC2Results().

CISResults() [2/3]

madness::CISResults::CISResults ( const nlohmann::json & j )

inline

construct from JSON

References madness::CISResults::excitation_info::current_error, excitations, madness::CISResults::excitation_info::irrep, model, nfreeze, madness::CISResults::excitation_info::omega, madness::CISResults::excitation_info::oscillator_strength_length, and madness::CISResults::excitation_info::oscillator_strength_velocity.

CISResults() [3/3]

madness::CISResults::CISResults ( long nfreeze, const std::string & model )

inline

constructor with nfreeze and model

References model, and nfreeze.

Member Function Documentation

from_json()

void madness::CISResults::from_json ( const nlohmann::json & j )

inlineoverridevirtual

Implements madness::ResultsBase.

References madness::CISResults::excitation_info::current_error, excitations, madness::CISResults::excitation_info::irrep, model, nfreeze, madness::CISResults::excitation_info::omega, madness::CISResults::excitation_info::oscillator_strength_length, and madness::CISResults::excitation_info::oscillator_strength_velocity.

Referenced by madness::CC2Results::from_json().

key()

std::string madness::CISResults::key ( ) const

inlineoverridevirtual

Implements madness::ResultsBase.

References model.

to_json()

nlohmann::json madness::CISResults::to_json ( ) const

inlineoverridevirtual

serialize the results to a JSON object

Implements madness::ResultsBase.

References excitations, model, and nfreeze.

Referenced by madness::CC2Results::to_json().

Member Data Documentation

excitations

std::vector<excitation_info> madness::CISResults::excitations

Referenced by CISResults(), from_json(), and to_json().

model

std::string madness::CISResults::model = "unknown"

Referenced by madness::CC2Results::CC2Results(), madness::CC2Results::CC2Results(), madness::CC2Results::CC2Results(), CISResults(), CISResults(), madness::CC2Results::from_json(), from_json(), key(), madness::CC2Results::set_model(), madness::CC2Results::to_json(), and to_json().

nfreeze

long madness::CISResults::nfreeze = -1

Referenced by madness::CC2Results::CC2Results(), CISResults(), CISResults(), from_json(), and to_json().

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

• Results.h