OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
Public Member Functions | List of all members
mcpdft::HDF5WriteChunked Class Reference

#include <HDF5_Write_Chunked.h>

Inheritance diagram for mcpdft::HDF5WriteChunked:
mcpdft::IWrite

Public Member Functions

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

Member Function Documentation

void mcpdft::HDF5WriteChunked::write_opdm ( const arma::mat &  D1a,
const arma::mat &  D1b 
)
virtual

Write 1RDM into disk.

Implements mcpdft::IWrite.

void mcpdft::HDF5WriteChunked::write_rdms ( const arma::mat &  D1a,
const arma::mat &  D1b,
const arma::mat &  D2ab 
)
virtual

Calls write_opdm() and write_tpdm() fxns.

Implements mcpdft::IWrite.

void mcpdft::HDF5WriteChunked::write_tpdm ( const arma::mat &  D2ab)
virtual

Write 2RDM into disk.

Implements mcpdft::IWrite.

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