QMCPACK
Functionals.h
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1 //////////////////////////////////////////////////////////////////////////////////////
2 // This file is distributed under the University of Illinois/NCSA Open Source License.
3 // See LICENSE file in top directory for details.
4 //
5 // Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
6 //
7 // File developed by: Paul R. C. Kent, kentpr@ornl.gov, Oak Ridge National Laboratory
8 //
9 // File created by: Paul R. C. Kent, kentpr@ornl.gov, Oak Ridge National Laboratory
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 
13 // http://pathintegrals.info //
14 /////////////////////////////////////////////////////////////
15 
16 #ifndef FUNCTIONALS_H
17 #define FUNCTIONALS_H
18 
19 void ExchangePotential(double nup, double ndown, double& Vup, double& Vdown);
20 void CorrelationPotential(double nup, double ndown, double& Vup, double& Vdown);
21 
22 void CPPExCorr(double nup, double ndown, double& Vup, double& Vdown);
23 
24 void FortranExCorr(double nup, double ndown, double& Vup, double& Vdown);
25 
26 void FortranExCorr(double n, double& Exc, double& Vxc);
27 
28 
29 double FortranXCE(double nup, double ndown);
30 
31 #endif
void FortranExCorr(double nup, double ndown, double &Vup, double &Vdown)
double FortranXCE(double nup, double ndown)
void ExchangePotential(double nup, double ndown, double &Vup, double &Vdown)
void CorrelationPotential(double nup, double ndown, double &Vup, double &Vdown)
void CPPExCorr(double nup, double ndown, double &Vup, double &Vdown)