1 |
#ifdef __C |
2 |
#ifndef TYPES_ATOMTYPEPROPERTIES_H |
3 |
#define TYPES_ATOMTYPEPROPERTIES_H |
4 |
|
5 |
/** |
6 |
* This header provides dual access for the AtomTypeProperties between |
7 |
* fortran and C. NOTE: The sequence of struct components MUST match |
8 |
* between C and Fortran and in general be packed double,int,char. |
9 |
*/ |
10 |
typedef struct{ |
11 |
int ident; |
12 |
int is_Directional; |
13 |
int is_LennardJones; |
14 |
int is_Charge; |
15 |
int is_Dipole; |
16 |
int is_SplitDipole; |
17 |
int is_Quadrupole; |
18 |
int is_Sticky; |
19 |
int is_GayBerne; |
20 |
int is_EAM; |
21 |
int is_Shape; |
22 |
int is_FLARB; |
23 |
} AtomTypeProperties; |
24 |
#endif |
25 |
#endif |
26 |
|
27 |
#ifdef __FORTRAN90 |
28 |
|
29 |
type :: AtomTypeProperties |
30 |
SEQUENCE |
31 |
integer :: ident |
32 |
integer :: is_Directional |
33 |
integer :: is_LennardJones |
34 |
integer :: is_Charge |
35 |
integer :: is_Dipole |
36 |
integer :: is_SplitDipole |
37 |
integer :: is_Quadrupole |
38 |
integer :: is_Sticky |
39 |
integer :: is_GayBerne |
40 |
integer :: is_EAM |
41 |
integer :: is_Shape |
42 |
integer :: is_FLARB |
43 |
end type AtomTypeProperties |
44 |
#endif |