Pole expansion subroutines. More...
#include "pexsi/environment.hpp"
Go to the source code of this file.
Namespaces | |
PEXSI | |
The main namespace. | |
Functions | |
int | PEXSI::GetPoleDensity (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
Pole expansion for the Fermi-Dirac operator. More... | |
int | PEXSI::GetPoleDensityDrvMu (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
Pole expansion for the derivative of the Fermi-Dirac operator with respect to the chemical potential mu. More... | |
int | PEXSI::GetPoleDensityDrvT (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
Pole expansion for the derivative of the Fermi-Dirac operator with respect to the temperature T \((1/\beta)\). More... | |
int | PEXSI::GetPoleHelmholtz (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
Pole expansion for the Helmholtz free energy function. More... | |
int | PEXSI::GetPoleForce (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
Pole expansion for the energy density function. More... | |
int | PEXSI::GetPoleDensityUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu) |
Pole expansion for the Fermi-Dirac operator and update the weight at mu+dmu. More... | |
int | PEXSI::GetPoleHelmholtzUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu) |
Pole expansion for the Helmholtz free energy function. More... | |
int | PEXSI::GetPoleForceUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu) |
Pole expansion for the energy density function. More... | |
Pole expansion subroutines.