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
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

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

Member Function Documentation

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(), and to_json().

model

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

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

nfreeze

long madness::CISResults::nfreeze =-1

Referenced by CISResults(), and to_json().

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

• Results.h