1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
|
/*
Copyright (C) 2000 by Sean David Fleming
sean@ivec.org
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
This program 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 General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
The GNU GPL can also be found at http://www.gnu.org
*/
void zmat_debug(gpointer);
void zmat_mol_print(FILE *, gpointer);
void zmat_var_print(FILE *, gpointer);
void zmat_const_print(FILE *, gpointer);
void zmat_coord_print(FILE *, GSList *, gpointer);
gpointer zmat_new(void);
void zmat_build(void);
void zmat_free(gpointer);
gpointer zval_new(void);
gint zmat_entries_get(gpointer);
void zmat_cartesian_set(gpointer);
void zmat_fractional_set(gpointer);
void zmat_distance_units_set(gpointer, gint);
void zmat_angle_units_set(gpointer, gint);
const gchar *zmat_distance_units_get(gpointer);
const gchar *zmat_angle_units_get(gpointer);
void zmat_core_add(const gchar *, gpointer);
void zmat_var_add(const gchar *, gpointer);
void zmat_const_add(const gchar *, gpointer);
void zmat_type(gpointer, GSList *);
void zmat_process(gpointer, struct model_pak *);
void gui_zmat_dialog(void);
/* a SIESTA special... */
struct species_pak
{
gint number; /* can be -ve -> ghost */
gchar *label; /* same as core->label */
};
|