atomes 1.1.15
atomes: an atomic scale modeling tool box
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grcall.c File Reference

Callbacks for the g(r)/g(k) calculation dialog. More...

#include <gtk/gtk.h>
#include <string.h>
#include <stdlib.h>
#include "global.h"
#include "curve.h"
#include "bind.h"
#include "interface.h"
#include "callbacks.h"
#include "project.h"
+ Include dependency graph for grcall.c:

Go to the source code of this file.

Functions

void initgr (int r)
 initialize the curve widgets for the g(r)/g(k)
 
void update_rdf_view (project *this_proj, int rdf)
 update the project text view for the g(r)/g(k) calculation
 
G_MODULE_EXPORT void on_calc_gr_released (GtkWidget *widg, gpointer data)
 compute g(r)
 
void sendcutoffs_ (int *nc, double *totc, double partc[*nc][*nc])
 bond cutoff from Fortran90
 
G_MODULE_EXPORT void on_cutcheck_toggled (GtkToggleButton *but, gpointer data)
 
int recup_data_ (int *cd, int *rd)
 Sending data back to Fortran90.
 
G_MODULE_EXPORT void on_calc_gq_released (GtkWidget *widg, gpointer data)
 compute g(k)
 

Variables

int fitc = 0
 

Detailed Description

Callbacks for the g(r)/g(k) calculation dialog.

Author
Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file grcall.c.

Function Documentation

◆ initgr()

void initgr ( int r)

initialize the curve widgets for the g(r)/g(k)

Parameters
rGR = real space, GK = FFT

Definition at line 65 of file grcall.c.

◆ on_calc_gq_released()

G_MODULE_EXPORT void on_calc_gq_released ( GtkWidget * widg,
gpointer data )

compute g(k)

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 324 of file grcall.c.

◆ on_calc_gr_released()

G_MODULE_EXPORT void on_calc_gr_released ( GtkWidget * widg,
gpointer data )

compute g(r)

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 199 of file grcall.c.

◆ on_cutcheck_toggled()

G_MODULE_EXPORT void on_cutcheck_toggled ( GtkToggleButton * but,
gpointer data )

Definition at line 269 of file grcall.c.

◆ recup_data_()

int recup_data_ ( int * cd,
int * rd )

Sending data back to Fortran90.

Parameters
cdthe curve id
rdthe analysis id

Definition at line 296 of file grcall.c.

◆ sendcutoffs_()

void sendcutoffs_ ( int * nc,
double * totc,
double partc[ *nc][ *nc] )

bond cutoff from Fortran90

Parameters
ncnumber of species
totctotal cutoff
partcpartials cutoff

Definition at line 235 of file grcall.c.

◆ update_rdf_view()

void update_rdf_view ( project * this_proj,
int rdf )

update the project text view for the g(r)/g(k) calculation

Parameters
this_projthe target project
rdfthe calculation GR / GK

Definition at line 128 of file grcall.c.

Variable Documentation

◆ fitc

int fitc = 0

Definition at line 56 of file grcall.c.