functionals.c File Reference

General functional selection and input processing. More...

#include <stdarg.h>
#include <stddef.h>
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include "functionals.h"

Defines
#define	_BSD_SOURCE   1
#define	__CVERSION__
Functions
static int	my_printf (const char *fmt,...)
static void	set_hf_weight (real w)
static real	get_hf_weight (void)
static void	set_cam_param (real w, real b)
enum FunError	fun_select_by_name (const char *conf_string)
void	drv1_clear (FunFirstFuncDrv *gga)
void	drv2_clear (FunSecondFuncDrv *gga)
void	drv3_clear (FunThirdFuncDrv *gga)
void	drv4_clear (FunFourthFuncDrv *gga)
int	fun_true (void)
int	fun_false (void)
void	dftreport_ (void)
	dftreport: report the selected functional and its configuration.
void	dftlistfuncs_ (void)
int	dft_isgga_ (void)
int	dft_isgga__ (void)
Variables
Functional *	available_functionals []
Functional *	selected_func = &LDAFunctional
int(*)	fun_printf (const char *fmt,...) = my_printf
void(*)	fun_set_hf_weight (real w) = set_hf_weight
real(*)	fun_get_hf_weight (void) = get_hf_weight
void(*)	fun_set_cam_param (real w, real b) = set_cam_param

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Detailed Description

General functional selection and input processing.

(c) Pawel Salek, pawsa@theochem.kth.se, 2001-08-02

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Define Documentation

#define __CVERSION__

#define _BSD_SOURCE   1

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Function Documentation

int dft_isgga_

(

void

)

int dft_isgga__

(

void

)

void dftlistfuncs_

(

void

)

void dftreport_

(

void

)

dftreport: report the selected functional and its configuration.

void drv1_clear

(

FunFirstFuncDrv *

gga

)

void drv2_clear

(

FunSecondFuncDrv *

gga

)

void drv3_clear

(

FunThirdFuncDrv *

gga

)

void drv4_clear

(

FunFourthFuncDrv *

gga

)

int fun_false

(

void

)

enum FunError fun_select_by_name

(

const char *

conf_string

)

int fun_true

(

void

)

static real get_hf_weight

(

void

)

[static]

static int my_printf	(	const char *	fmt,
			...
	)			[static]

static void set_cam_param	(	real	w,
		real	b
	)			[static]

static void set_hf_weight

(

real

w

)

[static]

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Variable Documentation

Functional* available_functionals[]

real(*) fun_get_hf_weight(void) = get_hf_weight

int(*) fun_printf(const char *fmt,...) = my_printf

void(*) fun_set_cam_param(real w, real b) = set_cam_param

void(*) fun_set_hf_weight(real w) = set_hf_weight

Functional* selected_func = &LDAFunctional

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