SimParameters.h File Reference

#include "common.h"
#include "Vector.h"
#include "Lattice.h"
#include "MGridforceParams.h"

Go to the source code of this file.

Classes
class	SimParameters
Defines
#define	NONE   0
#define	ONETWO   1
#define	ONETHREE   2
#define	ONEFOUR   3
#define	SCALED14   4
#define	NAIVE   0
#define	VERLETI   1
#define	SHARP   0
#define	XPLOR   1
#define	C1   2
#define	C2   3
#define	LDBSTRAT_NONE   0
#define	LDBSTRAT_REFINEONLY   1
#define	LDBSTRAT_ALG7   2
#define	LDBSTRAT_ASB8   3
#define	LDBSTRAT_OTHER   99
#define	SPLIT_PATCH_POSITION   0
#define	SPLIT_PATCH_HYDROGEN   1
#define	RIGID_NONE   0
#define	RIGID_ALL   1
#define	RIGID_WATER   2
Typedefs
typedef int	ExclusionSettings
typedef int	MTSChoices

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Define Documentation

#define C1   2

Definition at line 56 of file SimParameters.h. Referenced by ComputeNonbondedUtil::select().

#define C2   3

Definition at line 57 of file SimParameters.h. Referenced by ComputeNonbondedUtil::select().

#define LDBSTRAT_ALG7   2

Definition at line 63 of file SimParameters.h.

#define LDBSTRAT_ASB8   3

Definition at line 64 of file SimParameters.h.

#define LDBSTRAT_NONE   0

Definition at line 61 of file SimParameters.h.

#define LDBSTRAT_OTHER   99

Definition at line 65 of file SimParameters.h.

#define LDBSTRAT_REFINEONLY   1

Definition at line 62 of file SimParameters.h.

#define NAIVE   0

Definition at line 49 of file SimParameters.h.

#define NONE   0

Definition at line 39 of file SimParameters.h. Referenced by buildExclusions().

#define ONEFOUR   3

Definition at line 42 of file SimParameters.h. Referenced by buildExclusions().

#define ONETHREE   2

Definition at line 41 of file SimParameters.h. Referenced by buildExclusions().

#define ONETWO   1

Definition at line 40 of file SimParameters.h. Referenced by buildExclusions().

#define RIGID_ALL   1

Definition at line 75 of file SimParameters.h.

#define RIGID_NONE   0

Definition at line 74 of file SimParameters.h.

#define RIGID_WATER   2

Definition at line 76 of file SimParameters.h.

#define SCALED14   4

Definition at line 43 of file SimParameters.h. Referenced by buildExclusions().

#define SHARP   0

Definition at line 54 of file SimParameters.h. Referenced by ComputeNonbondedUtil::select().

#define SPLIT_PATCH_HYDROGEN   1

Definition at line 70 of file SimParameters.h.

#define SPLIT_PATCH_POSITION   0

Definition at line 69 of file SimParameters.h.

#define VERLETI   1

Definition at line 50 of file SimParameters.h.

#define XPLOR   1

Definition at line 55 of file SimParameters.h. Referenced by ComputeNonbondedUtil::select().

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Typedef Documentation

typedef int ExclusionSettings

Definition at line 37 of file SimParameters.h.

typedef int MTSChoices

Definition at line 47 of file SimParameters.h.

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