src/brains/fSimulation.h

#ifdef __OPENMD_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_MetallicAtoms;
  int SIM_uses_AtomicVirial;
  int SIM_requires_SkipCorrection;
  int SIM_requires_SelfCorrection;
} simtype;
#endif /*__FSIMULATION*/
#endif /*__OPENMD_C*/

#ifdef  __FORTRAN90

  type, public :: simtype
    PRIVATE
    SEQUENCE
    !! Periodic Boundry Conditions
    logical :: SIM_uses_PBC
    logical :: SIM_uses_DirectionalAtoms
    logical :: SIM_uses_MetallicAtoms
    logical :: SIM_uses_AtomicVirial
    logical :: SIM_requires_SkipCorrection
    logical :: SIM_requires_SelfCorrection
  end type simtype

#endif
  
Revision:	1528
Committed:	Fri Dec 17 20:11:05 2010 UTC (14 years, 4 months ago) by gezelter
Content type:	text/plain
File size:	936 byte(s)
Log Message:	Doesn't build yet, but getting much closer...
#	User	Rev	Content
1	gezelter	1390	#ifdef __OPENMD_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	gezelter	1528	int SIM_uses_MetallicAtoms;
15	gezelter	1126	int SIM_uses_AtomicVirial;
16	gezelter	1528	int SIM_requires_SkipCorrection;
17			int SIM_requires_SelfCorrection;
18	gezelter	2	} simtype;
19	tim	564	#endif /__FSIMULATION/
20	gezelter	1390	#endif /__OPENMD_C/
21	gezelter	2
22			#ifdef __FORTRAN90
23
24	gezelter	507	type, public :: simtype
25			PRIVATE
26			SEQUENCE
27			!! Periodic Boundry Conditions
28			logical :: SIM_uses_PBC
29			logical :: SIM_uses_DirectionalAtoms
30	gezelter	1528	logical :: SIM_uses_MetallicAtoms
31	gezelter	1126	logical :: SIM_uses_AtomicVirial
32	gezelter	1528	logical :: SIM_requires_SkipCorrection
33			logical :: SIM_requires_SelfCorrection
34	gezelter	507	end type simtype
35
36	gezelter	2	#endif
37	gezelter	507