atomes 1.3.1
atomes: an atomic scale modeling tool box
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sktcall.c File Reference

Callbacks for the dynamic structure factor S(k,t) calculation dialog. More...

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

Go to the source code of this file.

Functions

void alloc_analysis_curves (int pid, atomes_analysis *this_analysis)
 allocating analysis curve data
void update_sq_view (project *this_proj, int sqk)
 update the text view for s(q) / s(k) calculation
void update_dynamic_view (project *this_proj, GtkTextBuffer *calc_buffer)
 print molecular dynamics information
void init_sqw (project *this_proj)
 initialize the curve widgets for the s(k,t) and s(q,w) calculations
void recup_sqw_list_ (int nq, double qval[nq])
 retrieve exact q vector values from Fortran
void init_skt (project *this_proj, int opening)
 initialize the curve widgets for the s(k,t) and s(q,w) calculations
void update_skt_view (project *this_proj)
 update the text view for s(k,t) and s(q,w) calculation
G_MODULE_EXPORT void on_calc_skt_released (GtkWidget *widg, gpointer data)
 callback to compute the dynamic structure factor analysis

Variables

gboolean skt_all_sets

Detailed Description

Callbacks for the dynamic structure factor S(k,t) 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 sktcall.c.

Function Documentation

◆ alloc_analysis_curves()

void alloc_analysis_curves ( int pid,
atomes_analysis * this_analysis )
extern

allocating analysis curve data

Parameters
pidthe project id
this_analysisthe target atomes_analysis pointer

Definition at line 134 of file initc.c.

◆ init_skt()

void init_skt ( project * this_proj,
int opening )

initialize the curve widgets for the s(k,t) and s(q,w) calculations

Parameters
this_projthe target project
openingopening project file 1, otherwise 0

Definition at line 158 of file sktcall.c.

◆ init_sqw()

void init_sqw ( project * this_proj)

initialize the curve widgets for the s(k,t) and s(q,w) calculations

Parameters
this_projthe target project

Definition at line 65 of file sktcall.c.

◆ on_calc_skt_released()

G_MODULE_EXPORT void on_calc_skt_released ( GtkWidget * widg,
gpointer data )

callback to compute the dynamic structure factor analysis

Parameters
widgthe GtkWidget sending the signal
datathe associated data pointer

Definition at line 326 of file sktcall.c.

◆ recup_sqw_list_()

void recup_sqw_list_ ( int nq,
double qval[nq] )

retrieve exact q vector values from Fortran

Parameters
nqthe number of q vectors
qvalthe list of q vectors

Definition at line 135 of file sktcall.c.

◆ update_dynamic_view()

void update_dynamic_view ( project * this_proj,
GtkTextBuffer * calc_buffer )
extern

print molecular dynamics information

Parameters
this_projthe target project
calc_bufferthe GtkTextBuffer to print into

Definition at line 124 of file msdcall.c.

◆ update_skt_view()

void update_skt_view ( project * this_proj)

update the text view for s(k,t) and s(q,w) calculation

Parameters
this_projthe target project

Definition at line 248 of file sktcall.c.

◆ update_sq_view()

void update_sq_view ( project * this_proj,
int sqk )
extern

update the text view for s(q) / s(k) calculation

Parameters
this_projthe target project
sqks(q) (SQ) or s(k) (SK)

Definition at line 124 of file sqcall.c.

Variable Documentation

◆ skt_all_sets

gboolean skt_all_sets
extern