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KFDigestor Class Reference

Exchange force digestor. More...

#include <eri_digest.h>

Inheritance diagram for KFDigestor:
ForceDigestor

Public Member Functions

 KFDigestor (const arma::mat &P, double kfrac, bool restr)
 Construct digestor.
 
 ~KFDigestor ()
 Destruct digestor.
 
void digest (const std::vector< eripair_t > &shpairs, size_t ip, size_t jp, dERIWorker &deriw, arma::vec &f)
 Digest integrals.
 
- Public Member Functions inherited from ForceDigestor
 ForceDigestor ()
 Constructor.
 
virtual ~ForceDigestor ()
 Destructor.
 

Private Attributes

arma::mat P
 Density matrix.
 
double kfrac
 Fraction of exact exchange.
 
double fac
 Degeneracy factor.
 

Detailed Description

Exchange force digestor.


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