calc.h

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/* This file is part of the 'atomes' software
 
'atomes' is free software: you can redistribute it and/or modify it under the terms
of the GNU Affero General Public License as published by the Free Software Foundation,
either version 3 of the License, or (at your option) any later version.
 
'atomes' is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY;
without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
See the GNU General Public License for more details.
 
You should have received a copy of the GNU Affero General Public License along with 'atomes'.
If not, see <https://www.gnu.org/licenses/>
 
Copyright (C) 2022-2024 by CNRS and University of Strasbourg */
 
/*
* This header file: 'calc.h'
*
* Contains:
 
 - Variable declarations for the MD input preparation assistants
 
*/
 
#ifndef CALC_H_
#define CALC_H_
 
#define MAXDATAQM 7
 
extern GtkWidget * qm_assistant;
extern project * qm_proj;
extern glwin * qm_view;
extern coord_info * qm_coord;
extern GtkTextBuffer * qmbuffer[MAXDATAQM+2];
 
extern gboolean force_mol;
 
extern int idopt;
extern int icalc;
extern int ident;
extern int icomb;
 
extern gboolean selection_confirmed;
extern G_MODULE_EXPORT void confirm_selection (GtkDialog * dialog, gint response_id, gpointer data);
extern void field_question (gchar * question, GCallback handler, gpointer data);
 
#endif