ParM  parm
A molecular dynamics library
Classes | Macros | Enumerations | Functions
interaction.hpp File Reference
#include "trackers.hpp"

Go to the source code of this file.

Classes

class  Interaction
 The basic Interaction class, used to represent a potential function. More...
 
class  InteractPair
 
class  LJRepulsive
 
class  LJAttract
 
class  LJAttractCut
 
class  LennardJonesCut
 
class  Spring
 
class  BondAngle
 
struct  DihedralDerivs
 
class  Dihedral
 
class  ElectricScreened
 
struct  FixedForceAtom
 
class  FixedForce
 
struct  FixedForceRegionAtom
 
class  FixedForceRegion
 
struct  FixedSpringAtom
 
class  FixedSpring
 
class  COMSpring
 
struct  RandomForceAtom
 
class  RandomForce
 
struct  BondGrouping
 
class  BondPairs
 
struct  AngleGrouping
 
class  AngleTriples
 
struct  DihedralGrouping
 
class  Dihedrals
 
struct  ForcePair
 
struct  ForcePairX
 
class  FPairXFunct
 
class  InteractionPairsX
 
struct  Charged
 
struct  ChargePair
 
struct  EpsSigAtom
 
struct  LJRepulsePair
 Repulsive LJ: \(V(r) = \epsilon \left(\frac{\sigma^6}{r^6} - 1\right)^2\). More...
 
struct  EpsSigCutAtom
 
struct  IEpsISigCutAtom
 
struct  LennardJonesCutPair
 Truncated and shifted Lennard-Jones, in the form \(V(r) = \epsilon \left(\frac{\sigma^6}{r^6} - 1\right)^2\). More...
 
struct  IEpsSigCutAtom
 
struct  LJAttractCutPair
 
struct  IEpsRepsSigExpCutAtom
 
struct  LJishPair
 
struct  LJAttractRepulsePair
 
struct  IEpsRepsSigCutAtom
 
struct  LJAttractFixedRepulsePair
 
struct  EisMclachlanAtom
 
struct  EisMclachlanPair
 
struct  EpsSigExpAtom
 
struct  EnergyForce
 
struct  IEpsISigExpAtom
 
struct  RepulsionPair
 Repulsion potential, with ε = √(ε₁ ε₂) and σ = (σ₁ + σ₂)/2 Potential is V(r) = ε/n (1 - r/σ)^n, with n = 5/2 usually cutoff at r = σ More...
 
struct  EpsSigExpDragAtom
 Repulsion potential with drag, with ε = √(ε₁ ε₂) and σ = (σ₁ + σ₂)/2 Potential is V(r) = ε/n (1 - r/σ)^n, with n = 5/2 usually cutoff at r = σ drag is f = -γv in the normal direction. More...
 
struct  RepulsionDragPair
 
struct  LoisOhernAtom
 
struct  LoisOhernPair
 
struct  LoisOhernPairMinCLs
 
struct  LoisLinAtom
 
struct  LoisLinPair
 
struct  LoisLinPairMin
 
class  SCBoxed< A, P >
 
class  SimpleListed< A, P >
 
class  NListed< A, P >
 
class  NListedVirial< A, P >
 
class  Charges
 
struct  WallAtom
 
class  SoftWall
 
class  SoftWallCylinder
 
class  WalledBox2D
 
class  SCAtomVec
 
struct  SpheroCylinderDiff
 
struct  SCPair
 
struct  SCSpringPair
 
class  SCSpringList
 

Macros

#define sptr   boost::shared_ptr
 

Enumerations

enum  RandomForceType { FIXED, UNIFORM, GAUSSIAN }
 
enum  BondDiffType { BOXED, UNBOXED, FIXEDBOX }
 

Functions

flt confine_range (flt minimum, flt val, flt maximum)
 

Macro Definition Documentation

#define sptr   boost::shared_ptr

Enumeration Type Documentation

Enumerator
BOXED 
UNBOXED 
FIXEDBOX 
Enumerator
FIXED 
UNIFORM 
GAUSSIAN 

Function Documentation

flt confine_range ( flt  minimum,
flt  val,
flt  maximum 
)
inline