PEXSI
 All Classes Namespaces Files Functions Variables Friends Pages
pole.hpp
Go to the documentation of this file.
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.
8 
9  Redistribution and use in source and binary forms, with or without
10  modification, are permitted provided that the following conditions are met:
11 
12  (1) Redistributions of source code must retain the above copyright notice, this
13  list of conditions and the following disclaimer.
14  (2) Redistributions in binary form must reproduce the above copyright notice,
15  this list of conditions and the following disclaimer in the documentation
16  and/or other materials provided with the distribution.
17  (3) Neither the name of the University of California, Lawrence Berkeley
18  National Laboratory, U.S. Dept. of Energy nor the names of its contributors may
19  be used to endorse or promote products derived from this software without
20  specific prior written permission.
21 
22  THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
23  ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
24  WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
25  DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
26  ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
27  (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
28  LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
29  ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
30  (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
31  SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
32 
33  You are under no obligation whatsoever to provide any bug fixes, patches, or
34  upgrades to the features, functionality or performance of the source code
35  ("Enhancements") to anyone; however, if you choose to make your Enhancements
36  available either publicly, or directly to Lawrence Berkeley National
37  Laboratory, without imposing a separate written license agreement for such
38  Enhancements, then you hereby grant the following license: a non-exclusive,
39  royalty-free perpetual license to install, use, modify, prepare derivative
40  works, incorporate into other computer software, distribute, and sublicense
41  such enhancements or derivative works thereof, in binary and source code form.
42 */
46 #ifndef _POLE_HPP_
47 #define _POLE_HPP_
48 
49 #include "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 }
251 
252 #endif
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:469
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:498
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:483
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:491
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:476