OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
Public Member Functions | List of all members
mcpdft::IWrite Class Referenceabstract

#include <IWrite.h>

Inheritance diagram for mcpdft::IWrite:
mcpdft::HDF5WriteChunked mcpdft::HDF5WriteCompact mcpdft::HDF5WriteContiguous

Public Member Functions

virtual void write_rdms (const arma::mat &D1a, const arma::mat &D1b, const arma::mat &D2ab)=0
 Calls write_opdm() and write_tpdm() fxns. More...
 
virtual void write_opdm (const arma::mat &D1a, const arma::mat &D1b)=0
 Write 1RDM into memory/disk. More...
 
virtual void write_tpdm (const arma::mat &D2ab)=0
 Write 2RDM into memory/disk. More...
 

Member Function Documentation

virtual void mcpdft::IWrite::write_opdm ( const arma::mat &  D1a,
const arma::mat &  D1b 
)
pure virtual

Write 1RDM into memory/disk.

Implemented in mcpdft::HDF5WriteChunked, mcpdft::HDF5WriteCompact, and mcpdft::HDF5WriteContiguous.

virtual void mcpdft::IWrite::write_rdms ( const arma::mat &  D1a,
const arma::mat &  D1b,
const arma::mat &  D2ab 
)
pure virtual

Calls write_opdm() and write_tpdm() fxns.

Implemented in mcpdft::HDF5WriteChunked, mcpdft::HDF5WriteCompact, and mcpdft::HDF5WriteContiguous.

virtual void mcpdft::IWrite::write_tpdm ( const arma::mat &  D2ab)
pure virtual

Write 2RDM into memory/disk.

Implemented in mcpdft::HDF5WriteChunked, mcpdft::HDF5WriteCompact, and mcpdft::HDF5WriteContiguous.

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