49extern GtkWidget *
cpmd_box (GtkWidget * box, gchar *
lab,
int v_space,
int h_space,
int dim);
62 i = GPOINTER_TO_INT(data);
99 int i = GPOINTER_TO_INT(data);
102 j = gtk_check_button_get_active (but);
104 j = gtk_toggle_button_get_active (but);
106 tmp_cpmd -> restart[i] = (j) ? 1 : 0;
107 if (i == 3 || i == 6)
126 tmp_cpmd -> restart[0] = gtk_combo_box_get_active (box);
142 gtk_widget_set_size_request (
vbox, 525, 350);
145 hbox =
cpmd_box (
vbox,
"<u>Initialization for the Wavefunction:</u>", 20, 5, 230);
152 gtk_combo_box_set_active (GTK_COMBO_BOX(box),
tmp_cpmd -> restart[0]);
157 hbox =
cpmd_box (
vbox,
"Save the information required for a restart every:", 5, 5, 340);
206 gchar * print_str[3]={
"Information",
"Coordinates",
"Forces"};
GtkTextBuffer * qmbuffer[MAXDATAQM+2]
Variable declarations for the MD input preparation assistants.
Callback declarations for main window.
Variable declarations for the creation of the CPMD input file.
GtkWidget * cpmd_box(GtkWidget *box, gchar *lab, int v_space, int h_space, int dim)
prepare a labelled box widget for the CPMD input creation assistant
G_MODULE_EXPORT void update_restart_check(GtkToggleButton *but, gpointer data)
CPMD input file restart option toggle callback GTK3.
G_MODULE_EXPORT void update_restart_parameter(GtkEntry *res, gpointer data)
CPMD input file update restart parameter value entry callback.
GtkWidget * restart_box()
prepare the CPMD input preparation assistant restart widgets
void print_the_section(int s, int p, GtkTextBuffer *buffer)
print CPMD input section
G_MODULE_EXPORT void changed_restart_box(GtkComboBox *box, gpointer data)
CPMD input file change restart type.
Global variable declarations Global convenience function declarations Global data structure defin...
GtkWidget * create_entry(GCallback handler, int dim, int cdim, gboolean key_release, gpointer data)
Create a GtkEntry.
const gchar * entry_get_text(GtkEntry *entry)
get the text in a GtkEntry
void update_entry_int(GtkEntry *entry, int intval)
update the content of a GtkEntry as int
GtkWidget * check_button(gchar *text, int dimx, int dimy, gboolean state, GCallback handler, gpointer data)
create a check button
GtkWidget * create_combo()
create a GtkCombox widget, note deprecated in GTK4
void add_box_child_start(int orientation, GtkWidget *widg, GtkWidget *child, gboolean expand, gboolean fill, int padding)
Add a GtkWidget in a GtkBox at the initial position.
void widget_set_sensitive(GtkWidget *widg, gboolean sensitive)
Set sensitivity for a GtkWidget, ensuring it is a GtkWidget.
GtkWidget * create_hbox(int spacing)
create a GtkBox with horizontal orientation
void combo_text_append(GtkWidget *combo, gchar *text)
append text in GtkComboBox widget
GtkWidget * create_vbox(int spacing)
create a GtkBox with vertical orientation
Messaging function declarations.