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pole.hpp
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1 /*
2  Copyright (c) 2012 The Regents of the University of California,
3  through Lawrence Berkeley National Laboratory.
4 
5 Author: Lin Lin
6 
7 This file is part of PEXSI. All rights reserved.
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10 modification, are permitted provided that the following conditions are met:
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18 National Laboratory, U.S. Dept. of Energy nor the names of its contributors may
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42  */
46 #ifndef _PEXSI_POLE_HPP_
47 #define _PEXSI_POLE_HPP_
48 
49 #include "pexsi/environment.hpp"
50 
51 namespace PEXSI{
52 
88 int GetPoleDensity(Complex* zshift, Complex* zweight,
89  int Npole, double temp, double gap, double deltaE,
90  double mu);
91 
129 int GetPoleDensityDrvMu(Complex* zshift, Complex* zweight,
130  int Npole, double temp, double gap, double deltaE,
131  double mu);
132 
170 int GetPoleDensityDrvT(Complex* zshift, Complex* zweight,
171  int Npole, double temp, double gap, double deltaE,
172  double mu);
173 
207 int GetPoleHelmholtz(Complex* zshift, Complex* zweight,
208  int Npole, double temp, double gap, double deltaE,
209  double mu);
210 
211 
246 int GetPoleForce(Complex* zshift, Complex* zweight,
247  int Npole, double temp, double gap, double deltaE,
248  double mu);
249 
250 
285 int GetPoleDensityUpdate(Complex* zshift, Complex* zweight,
286  int Npole, double temp, double gap, double deltaE,
287  double mu, double dmu);
288 
293 int GetPoleHelmholtzUpdate(Complex* zshift, Complex* zweight,
294  int Npole, double temp, double gap, double deltaE,
295  double mu, double dmu);
296 
301 int GetPoleForceUpdate(Complex* zshift, Complex* zweight,
302  int Npole, double temp, double gap, double deltaE,
303  double mu, double dmu);
304 
305 }
306 
307 #endif //_PEXSI_POLE_HPP_
int GetPoleForceUpdate(Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu)
Pole expansion for the energy density function.
Definition: pole.cpp:602
Environmental variables.
int GetPoleDensity(Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
Pole expansion for the Fermi-Dirac operator.
Definition: pole.cpp:551
int GetPoleForce(Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
Pole expansion for the energy density function.
Definition: pole.cpp:580
int 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.
Definition: pole.cpp:588
int 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 ...
Definition: pole.cpp:565
int 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.
Definition: pole.cpp:595
int GetPoleHelmholtz(Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
Pole expansion for the Helmholtz free energy function.
Definition: pole.cpp:573
int 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 ...
Definition: pole.cpp:558