src/brains/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 
    RealType,int,char. 
*/
typedef  struct{
  int SIM_uses_PBC;
  int SIM_uses_DirectionalAtoms;
  int SIM_uses_LennardJones;
  int SIM_uses_Electrostatics;
  int SIM_uses_Charges;
  int SIM_uses_Dipoles;
  int SIM_uses_Sticky;
  int SIM_uses_StickyPower;
  int SIM_uses_GayBerne;
  int SIM_uses_EAM;
  int SIM_uses_Shapes;
  int SIM_uses_FLARB;
  int SIM_uses_RF;
  int SIM_uses_SF;
  int SIM_uses_SP;
  int SIM_uses_SC;
  int SIM_uses_MEAM;
  int SIM_uses_BoxDipole;
} simtype;
#endif /*__FSIMULATION*/
#endif /*__C*/

#ifdef  __FORTRAN90

  type, public :: simtype
    PRIVATE
    SEQUENCE
    !! Periodic Boundry Conditions
    logical :: SIM_uses_PBC
    logical :: SIM_uses_DirectionalAtoms
    logical :: SIM_uses_LennardJones
    logical :: SIM_uses_Electrostatics
    logical :: SIM_uses_Charges
    logical :: SIM_uses_Dipoles
    logical :: SIM_uses_Sticky
    logical :: SIM_uses_StickyPower
    logical :: SIM_uses_GayBerne
    logical :: SIM_uses_EAM
    logical :: SIM_uses_Shapes
    logical :: SIM_uses_FLARB
    logical :: SIM_uses_RF
    logical :: SIM_uses_SF
    logical :: SIM_uses_SP
    logical :: SIM_uses_SC
    logical :: SIM_uses_MEAM
    logical :: SIM_uses_BoxDipole
  end type simtype

#endif
  
Revision:	1050
Committed:	Fri Sep 22 22:19:59 2006 UTC (18 years, 7 months ago) by chrisfen
Content type:	text/plain
Original Path:	*trunk/src/brains/fSimulation.h*
File size:	1504 byte(s)
Log Message:	refined the reaction field dielectric passing
#	User	Rev	Content
1	gezelter	2	#ifdef __C
2	gezelter	246
3	gezelter	2	#ifndef __FSIMULATION
4	gezelter	246
5	gezelter	2	#define __FSIMULATION
6			/** This header provides dual access for the simulation structure between
7			fortran and C for the simtype structure. NOTE: Sequence of struct
8			components must match between C and fortran and in general be packed
9	tim	963	RealType,int,char.
10	gezelter	2	*/
11			typedef struct{
12			int SIM_uses_PBC;
13	gezelter	141	int SIM_uses_DirectionalAtoms;
14			int SIM_uses_LennardJones;
15			int SIM_uses_Electrostatics;
16			int SIM_uses_Charges;
17			int SIM_uses_Dipoles;
18			int SIM_uses_Sticky;
19	chrisfen	523	int SIM_uses_StickyPower;
20	gezelter	141	int SIM_uses_GayBerne;
21			int SIM_uses_EAM;
22			int SIM_uses_Shapes;
23			int SIM_uses_FLARB;
24	gezelter	2	int SIM_uses_RF;
25	chrisfen	720	int SIM_uses_SF;
26	chrisfen	998	int SIM_uses_SP;
27	chuckv	734	int SIM_uses_SC;
28	chuckv	728	int SIM_uses_MEAM;
29	chrisfen	998	int SIM_uses_BoxDipole;
30	gezelter	2	} simtype;
31	tim	564	#endif /__FSIMULATION/
32			#endif /__C/
33	gezelter	2
34			#ifdef __FORTRAN90
35
36	gezelter	507	type, public :: simtype
37			PRIVATE
38			SEQUENCE
39			!! Periodic Boundry Conditions
40			logical :: SIM_uses_PBC
41			logical :: SIM_uses_DirectionalAtoms
42			logical :: SIM_uses_LennardJones
43			logical :: SIM_uses_Electrostatics
44			logical :: SIM_uses_Charges
45			logical :: SIM_uses_Dipoles
46			logical :: SIM_uses_Sticky
47	chrisfen	523	logical :: SIM_uses_StickyPower
48	gezelter	507	logical :: SIM_uses_GayBerne
49			logical :: SIM_uses_EAM
50			logical :: SIM_uses_Shapes
51			logical :: SIM_uses_FLARB
52			logical :: SIM_uses_RF
53	chrisfen	720	logical :: SIM_uses_SF
54	chrisfen	998	logical :: SIM_uses_SP
55	chuckv	734	logical :: SIM_uses_SC
56			logical :: SIM_uses_MEAM
57	chrisfen	998	logical :: SIM_uses_BoxDipole
58	gezelter	507	end type simtype
59
60	gezelter	2	#endif
61	gezelter	507