#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]
|
default |
◆ ZnemoResults() [2/2]
|
inline |
construct from JSON
Member Function Documentation
◆ to_json()
|
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().
The documentation for this class was generated from the following file:
