src/UseTheForce/fForceOptions.h

#ifdef __C
#ifndef __FFORCEOPTIONS
#define __FFORCEOPTIONS

#define GEOMETRIC_MIXING_RULE  1
#define ARITHMETIC_MIXING_RULE 2
#define CUBIC_MIXING_RULE 3
#define HHG_MIXING_RULE 4

typedef  struct{
  int DistanceMixingRule;
  int EnergyMixingRule;
  RealType vdw14scale;
  RealType electrostatic14scale;  
  RealType GayBerneMu;  
  RealType GayBerneNu;  
} ForceOptions;


#endif
#endif /*__C*/

#ifdef  __FORTRAN90

  INTEGER, PARAMETER:: GEOMETRIC_MIXING_RULE  = 1
  INTEGER, PARAMETER:: ARITHMETIC_MIXING_RULE = 2
  INTEGER, PARAMETER:: CUBIC_MIXING_RULE = 3
  INTEGER, PARAMETER:: HHG_MIXING_RULE = 4

  type :: ForceOptions
    SEQUENCE
    integer :: DistanceMixingRule
    integer :: EnergyMixingRule
    real(kind=dp) :: vdw14scale
    real(kind=dp) :: electrostatic14scale
    real(kind=dp) :: GayBerneMu
    real(kind=dp) :: GayBerneNu
  end type ForceOptions

#endif
Revision:	2787
Committed:	Mon Jun 5 18:24:45 2006 UTC (18 years, 1 month ago) by gezelter
Content type:	text/plain
File size:	879 byte(s)
Log Message:	Massive changes for GB code with multiple ellipsoid types (a la Cleaver's paper). Also, changes in hydrodynamics code to make HydroProp a somewhat smarter class (rather than just a struct).
#	Content
1	#ifdef __C
2	#ifndef __FFORCEOPTIONS
3	#define __FFORCEOPTIONS
4
5	#define GEOMETRIC_MIXING_RULE 1
6	#define ARITHMETIC_MIXING_RULE 2
7	#define CUBIC_MIXING_RULE 3
8	#define HHG_MIXING_RULE 4
9
10	typedef struct{
11	int DistanceMixingRule;
12	int EnergyMixingRule;
13	RealType vdw14scale;
14	RealType electrostatic14scale;
15	RealType GayBerneMu;
16	RealType GayBerneNu;
17	} ForceOptions;
18
19
20	#endif
21	#endif /__C/
22
23	#ifdef __FORTRAN90
24
25	INTEGER, PARAMETER:: GEOMETRIC_MIXING_RULE = 1
26	INTEGER, PARAMETER:: ARITHMETIC_MIXING_RULE = 2
27	INTEGER, PARAMETER:: CUBIC_MIXING_RULE = 3
28	INTEGER, PARAMETER:: HHG_MIXING_RULE = 4
29
30	type :: ForceOptions
31	SEQUENCE
32	integer :: DistanceMixingRule
33	integer :: EnergyMixingRule
34	real(kind=dp) :: vdw14scale
35	real(kind=dp) :: electrostatic14scale
36	real(kind=dp) :: GayBerneMu
37	real(kind=dp) :: GayBerneNu
38	end type ForceOptions
39
40	#endif