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.
#	User	Rev	Content
1	mmeineke	377	#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