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   ) 

References Functional_::is_gga.

int dft_isgga__ ( void   ) 

References Functional_::is_gga.

void dftlistfuncs_ ( void   ) 

References fun_printf.

Referenced by dft_setfunc().

void dftreport_ ( void   ) 

dftreport: report the selected functional and its configuration.

References fun_printf, Functional_::name, and Functional_::report.

Referenced by es_run().

void drv1_clear ( FunFirstFuncDrv gga  ) 
void drv2_clear ( FunSecondFuncDrv gga  ) 

Referenced by dftpot1_(), test_second(), and test_third().

void drv3_clear ( FunThirdFuncDrv gga  ) 
void drv4_clear ( FunFourthFuncDrv gga  ) 

Referenced by test_fourth().

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

Referenced by cam_read(), combine_read(), and main().

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

Referenced by camb3lyp_read(), and dft_setfunc().

void(* fun_set_hf_weight)(real w) = set_hf_weight

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