#include <HDF5_Write_Compact.h>
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... | |
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virtual |
Write 1RDM into disk.
Implements mcpdft::IWrite.
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virtual |
Calls write_opdm() and write_tpdm() fxns.
Implements mcpdft::IWrite.
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virtual |
Write 2RDM into disk.
Implements mcpdft::IWrite.