OOPSE/libmdtools/fSimulation.h

#ifdef __C
#ifndef __FSIMULATION
#define __FSIMULATION
/** This header provides dual access for the simulation structure between 
    fortran and C for the simtype structure. NOTE: Sequence of struct 
    components must match between C and fortran and in general be packed 
    double,int,char. 
*/
typedef  struct{
  double dielect;
  int SIM_uses_PBC;
  int SIM_uses_LJ;
  int SIM_uses_sticky;
  int SIM_uses_dipoles;
  int SIM_uses_RF;
  int SIM_uses_GB;
  int SIM_uses_EAM;
} simtype;
#endif //__FSIMULATION
#endif //__C

#ifdef  __FORTRAN90

type, public :: simtype
   PRIVATE
   SEQUENCE
   !! Dielectric Constant for reaction field
   real ( kind = dp ) :: dielect = 0.0_dp
   !! Periodic Boundry Conditions
   logical :: SIM_uses_PBC
   logical :: SIM_uses_LJ
   logical :: SIM_uses_sticky
   logical :: SIM_uses_dipoles
   logical :: SIM_uses_RF
   logical :: SIM_uses_GB
   logical :: SIM_uses_EAM
end type simtype
#endif
Revision:	626
Committed:	Wed Jul 16 21:30:56 2003 UTC (20 years, 11 months ago) by mmeineke
Content type:	text/plain
File size:	933 byte(s)
Log Message:	Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
#	Content
1	#ifdef __C
2	#ifndef __FSIMULATION
3	#define __FSIMULATION
4	/** This header provides dual access for the simulation structure between
5	fortran and C for the simtype structure. NOTE: Sequence of struct
6	components must match between C and fortran and in general be packed
7	double,int,char.
8	*/
9	typedef struct{
10	double dielect;
11	int SIM_uses_PBC;
12	int SIM_uses_LJ;
13	int SIM_uses_sticky;
14	int SIM_uses_dipoles;
15	int SIM_uses_RF;
16	int SIM_uses_GB;
17	int SIM_uses_EAM;
18	} simtype;
19	#endif //__FSIMULATION
20	#endif //__C
21
22	#ifdef __FORTRAN90
23
24	type, public :: simtype
25	PRIVATE
26	SEQUENCE
27	!! Dielectric Constant for reaction field
28	real ( kind = dp ) :: dielect = 0.0_dp
29	!! Periodic Boundry Conditions
30	logical :: SIM_uses_PBC
31	logical :: SIM_uses_LJ
32	logical :: SIM_uses_sticky
33	logical :: SIM_uses_dipoles
34	logical :: SIM_uses_RF
35	logical :: SIM_uses_GB
36	logical :: SIM_uses_EAM
37	end type simtype
38	#endif