madness::ZnemoResults Class Reference

#include <Results.h>

Inheritance diagram for madness::ZnemoResults:

Collaboration diagram for madness::ZnemoResults:

Public Member Functions
	ZnemoResults ()=default
	ZnemoResults (const nlohmann::json &j)
	construct from JSON
nlohmann::json	to_json () const override
	serialize the results to a JSON object
Public Member Functions inherited from madness::SCFResults
	SCFResults ()=default
	SCFResults (const nlohmann::json &j)
	construct from JSON
std::string	key () const override
Public Member Functions inherited from madness::ResultsBase
	ResultsBase ()=default
virtual	~ResultsBase ()=default

Public Attributes
double	B =0.0
Public Attributes inherited from madness::SCFResults
Tensor< double >	aeps
Tensor< double >	afock
Tensor< double >	beps
Tensor< double >	bfock
std::string	model ="scf"
PropertyResults	properties
double	scf_total_energy =0.0

Constructor & Destructor Documentation

ZnemoResults() [1/2]

madness::ZnemoResults::ZnemoResults ( )

default

ZnemoResults() [2/2]

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

inline

construct from JSON

Member Function Documentation

to_json()

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

inlineoverridevirtual

serialize the results to a JSON object

Reimplemented from madness::SCFResults.

References B, and madness::SCFResults::to_json().

Member Data Documentation

B

double madness::ZnemoResults::B =0.0

Referenced by to_json().

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

• Results.h