#include <math.h>
#include <stddef.h>
#include "functionals.h"
Defines | |
#define | _XOPEN_SOURCE 600 |
#define | _XOPEN_SOURCE_EXTENDED 1 |
#define | __CVERSION__ |
Functions | |
static int | p86c_isgga (void) |
static int | p86c_read (const char *conf_line) |
static real | p86c_energy (const FunDensProp *dp) |
static void | p86c_first (FunFirstFuncDrv *ds, real factor, const FunDensProp *dp) |
static void | p86c_second (FunSecondFuncDrv *ds, real factor, const FunDensProp *dp) |
static void | p86c_third (FunThirdFuncDrv *ds, real factor, const FunDensProp *dp) |
Variables | |
Functional | P86cFunctional |
Automatically generated code implementing p86c functional and its derivatives. Generated by func-codegen.pl being a part of a "Automatic code generation framework for analytical functional derivative evaluation", Pawel Salek, 2004
This functional is connected by making following changes: 1. add "extern Functional p86cFunctional;" to 'functionals.h' 2. add "&p86cFunctional," to 'functionals.c' 3. add "fun-p86c}.c" to 'Makefile.am', 'Makefile.in' or 'Makefile'.
This functional has been generated from following input: ------ cut here ------- c0: 1.667e-3; cn1: 2.568e-3; cn2: 2.3266e-2; cn3: 7.389e-6; cd1: 1.0; cd2: 8.723; cd3: 0.472; cd4: 1.0e4*cn3; cinf: c0+cn1/cd1; phi1: (9.0*PI)^(1/6); phi2: 0.11;
rho: rhoa + rhob; grad: sqrt(grada*grada + gradb*gradb + 2*gradab); zeta: (rhoa-rhob)/(rhoa+rhob); dzet: 2^(1/3)*sqrt(((1+zeta)/2)^(5/3) + ((1-zeta)/2)^(5/3));
rs: (3/(4*PI*rho))^(1/3); crho: c0 + (cn1+cn2*rs+cn3*rs^2)/(1+cd2*rs+cd3*(rs^2)+cd4*(rs^3)); phi: phi1*phi2*(cinf/crho)*grad*(rho^(-7.0/6.0));
K(rhoa,rhob,grada,gradb,gradab):=exp(-phi)*crho*(grad^2)*(rho^(-4.0/3.0))/dzet;
------ cut here -------
#define __CVERSION__ |
#define _XOPEN_SOURCE 600 |
#define _XOPEN_SOURCE_EXTENDED 1 |
static real p86c_energy | ( | const FunDensProp * | dp | ) | [static] |
static void p86c_first | ( | FunFirstFuncDrv * | ds, | |
real | factor, | |||
const FunDensProp * | dp | |||
) | [static] |
static int p86c_isgga | ( | void | ) | [static] |
static int p86c_read | ( | const char * | conf_line | ) | [static] |
static void p86c_second | ( | FunSecondFuncDrv * | ds, | |
real | factor, | |||
const FunDensProp * | dp | |||
) | [static] |
static void p86c_third | ( | FunThirdFuncDrv * | ds, | |
real | factor, | |||
const FunDensProp * | dp | |||
) | [static] |
Initial value:
{ "P86c", p86c_isgga, p86c_read, NULL, p86c_energy, p86c_first, p86c_second, p86c_third }