Exchange force digestor. More...
#include <eri_digest.h>
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. | |
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ForceDigestor () | |
Constructor. | |
virtual | ~ForceDigestor () |
Destructor. | |
Private Attributes | |
arma::mat | P |
Density matrix. | |
double | kfrac |
Fraction of exact exchange. | |
double | fac |
Degeneracy factor. | |
Exchange force digestor.