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

Functionalavailable_functionals []
Functionalselected_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


Detailed Description

General functional selection and input processing.

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


Define Documentation

#define __CVERSION__

#define _BSD_SOURCE   1


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]


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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