Restricted solver info. More...
#include <scf.h>
Public Attributes | |
arma::mat | C |
Orbitals. | |
arma::vec | E |
Orbital energies. | |
arma::mat | H |
Fock operator. | |
arma::mat | P |
Density matrix. | |
arma::mat | J |
Coulomb operator. | |
arma::mat | K |
Exchange operator. | |
arma::mat | XC |
KS-XC matrix. | |
arma::cx_mat | cC |
Complex orbitals (for SIC) | |
arma::mat | P_im |
Imaginary part of complex-CMO density matrix (for complex exchange contribution) | |
arma::mat | K_im |
Imaginary exchange. | |
energy_t | en |
Energy information. | |
Restricted solver info.