OBWfnRDMTwo is a 2-RDM from a OneBodyWavefunction. More...
#include <chemistry/qc/wfn/rdm.h>
Inheritance diagram for sc::OBWfnRDMTwo:
Public Member Functions | |
| OBWfnRDMTwo (const Ref< KeyVal > &kv) | |
| A KeyVal constructor is used to generate a OBWfnRDMTwo object from the input. | |
| OBWfnRDMTwo (StateIn &si) | |
| OBWfnRDMTwo (const Ref< OneBodyWavefunction > &wfn) | |
| void | save_data_state (StateOut &so) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. | |
| Ref< OneBodyWavefunction > | wfn () const |
| the corresponding Wavefunction | |
| Ref< OrbitalSpace > | orbs (SpinCase1 s) const |
| the orbital space of spincase s in which the density is reported | |
| RefSymmSCMatrix | scmat (SpinCase2 spincase) const |
| Ref< cumulant_type > | cumulant () const |
| cumulant of rank R | |
| Ref< rdm_m_1_type > | rdm_m_1 () const |
| RDM of rank decreased by 1. | |
Detailed Description
OBWfnRDMTwo is a 2-RDM from a OneBodyWavefunction.
Constructor & Destructor Documentation
| sc::OBWfnRDMTwo::OBWfnRDMTwo | ( | const Ref< KeyVal > & | kv | ) |
A KeyVal constructor is used to generate a OBWfnRDMTwo object from the input.
The full list of keywords that are accepted is below.
| Keyword | Type | Default | Description |
wfn | OneBodyWavefunction | none | the OneBodyWavefunction object |
Member Function Documentation
| void sc::OBWfnRDMTwo::save_data_state | ( | StateOut & | ) | [virtual] |
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
This must be implemented by the derived class if the class has data.
Reimplemented from sc::RDM< Two >.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/wfn/rdm.h