FreeEnergyEnums.h File Reference

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Enumerations
enum	Bool_t { kFalse =0, kAlsoTrue =1, kTrue =!kFalse }
enum	Bound_t { kLower, kUpper, kUnknownBound }
enum	feptask_t {   kUp, kDown, kStop, kGrow,   kFade, kNoGrow, kStepUp, kStepDown,   kStepGrow, kStepFade, kUnknownTask }
enum	Error_t { kNoProblem, kParsingProblem, kNAMD_Problem }

Variables
const double	kAlmostOne = 0.9999999999
const double	kAlmostMinusOne = -0.9999999999
const double	kALittle = 0.0000000001
const double	kPi = 3.1415926536

Enumeration Type Documentation

enum Bool_t

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Enumerator
kFalse
kAlsoTrue
kTrue

Definition at line 10 of file FreeEnergyEnums.h.

{kFalse=0, kAlsoTrue=1, kTrue=!kFalse};

enum Bound_t

Enumerator
kLower
kUpper
kUnknownBound

Definition at line 11 of file FreeEnergyEnums.h.

{kLower, kUpper, kUnknownBound};

enum Error_t

Enumerator
kNoProblem
kParsingProblem
kNAMD_Problem

Definition at line 14 of file FreeEnergyEnums.h.

{kNoProblem, kParsingProblem, kNAMD_Problem};

enum feptask_t

Enumerator
kUp
kDown
kStop
kGrow
kFade
kNoGrow
kStepUp
kStepDown
kStepGrow
kStepFade
kUnknownTask

Definition at line 12 of file FreeEnergyEnums.h.

                {kUp, kDown, kStop, kGrow, kFade, kNoGrow,
              kStepUp, kStepDown, kStepGrow, kStepFade, kUnknownTask};

Variable Documentation

const double kALittle = 0.0000000001

Definition at line 18 of file FreeEnergyEnums.h.

Referenced by ReadPmfBlock().

const double kAlmostMinusOne = -0.9999999999

Definition at line 17 of file FreeEnergyEnums.h.

Referenced by ADiheRestraint::GetGrad().

const double kAlmostOne = 0.9999999999

Definition at line 16 of file FreeEnergyEnums.h.

Referenced by AnAngleRestraint::GetGrad(), and ADiheRestraint::GetGrad().

const double kPi = 3.1415926536

Definition at line 19 of file FreeEnergyEnums.h.

Referenced by GetRestraint(), AnAngleRestraint::PrintInfo(), and ADiheRestraint::PrintInfo().