fun-pw91x.c File Reference

#include <math.h>
#include <stddef.h>
#include "functionals.h"

Defines
#define	_XOPEN_SOURCE   600
#define	_XOPEN_SOURCE_EXTENDED   1
#define	__CVERSION__
Functions
static int	pw91x_isgga (void)
static int	pw91x_read (const char *conf_line)
static real	pw91x_energy (const FunDensProp *dp)
static void	pw91x_first (FunFirstFuncDrv *ds, real factor, const FunDensProp *dp)
static void	pw91x_second (FunSecondFuncDrv *ds, real factor, const FunDensProp *dp)
static void	pw91x_third (FunThirdFuncDrv *ds, real factor, const FunDensProp *dp)
static void	pw91x_fourth (FunFourthFuncDrv *ds, real factor, const FunDensProp *dp)
static void	pw91x_first_helper (real rhoa, real grada, real *res)
static void	pw91x_second_helper (real rhoa, real grada, real *res)
static void	pw91x_third_helper (real rhoa, real grada, real *res)
static void	pw91x_fourth_helper (real rhoa, real grada, real *res)
Variables
Functional	Pw91xFunctional

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Define Documentation

#define __CVERSION__

#define _XOPEN_SOURCE   600

#define _XOPEN_SOURCE_EXTENDED   1

---

Function Documentation

static real pw91x_energy

(

const FunDensProp *

dp

)

[static]

static void pw91x_first	(	FunFirstFuncDrv *	ds,
		real	factor,
		const FunDensProp *	dp
	)			[static]

static void pw91x_first_helper	(	real	rhoa,
		real	grada,
		real *	res
	)			[static]

static void pw91x_fourth	(	FunFourthFuncDrv *	ds,
		real	factor,
		const FunDensProp *	dp
	)			[static]

static void pw91x_fourth_helper	(	real	rhoa,
		real	grada,
		real *	res
	)			[static]

static int pw91x_isgga

(

void

)

[static]

static int pw91x_read

(

const char *

conf_line

)

[static]

static void pw91x_second	(	FunSecondFuncDrv *	ds,
		real	factor,
		const FunDensProp *	dp
	)			[static]

static void pw91x_second_helper	(	real	rhoa,
		real	grada,
		real *	res
	)			[static]

static void pw91x_third	(	FunThirdFuncDrv *	ds,
		real	factor,
		const FunDensProp *	dp
	)			[static]

static void pw91x_third_helper	(	real	rhoa,
		real	grada,
		real *	res
	)			[static]

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Variable Documentation

Functional Pw91xFunctional

Initial value:

 {
  "PW91X",       
  pw91x_isgga,   
  pw91x_read,
  NULL,
  pw91x_energy,
  pw91x_first,
  pw91x_second,
  pw91x_third,
  pw91x_fourth
}

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