COMSpring Class Reference

#include <interaction.hpp>

Inheritance diagram for COMSpring:

Public Member Functions
	COMSpring (AtomGroup *g1, AtomGroup *g2, flt k, flt x0=0)
flt	energy (Box &box)
	Potential energy due to this Interaction. More...
void	set_forces (Box &box)
flt	pressure (Box &box)
	Partial pressure due to this Interaction. More...
Public Member Functions inherited from Interaction
virtual flt	set_forces_get_pressure (Box &box)
	Set forces (Atom.f) and return \(P = \sum_{\left<i,j \right>} \vec r_{ij} \cdot \vec F_{ij}\) at the same time (see pressure()). More...
virtual Matrix	stress (Box &box)
	The force-moment tensor for the current simulation: More...
virtual	~Interaction ()

Protected Attributes
AtomGroup *	g1
AtomGroup *	g2
flt	k
flt	x0
flt	m1
flt	m2

Constructor & Destructor Documentation

COMSpring::COMSpring ( AtomGroup *  g1, AtomGroup *  g2, flt  k, flt  x0 = 0  )

inline

Member Function Documentation

flt COMSpring::energy ( Box &  box )

inlinevirtual

Potential energy due to this Interaction.

Implements Interaction.

flt COMSpring::pressure ( Box &  box )

inlinevirtual

Partial pressure due to this Interaction.

\(P = \sum_{\left<i,j \right>} \vec r_{ij} \cdot \vec F_{ij}\), or equivalently \(P = \sum_i \vec r_i \cdot \vec F_i\)

Note that the full pressure involves all interactions and temperature, and needs to be normalized by \( \frac{1}{dV} \) where \(d\) is the number of dimensions and \(V\) is the volume.

Implements Interaction.

void COMSpring::set_forces ( Box &  box )

inlinevirtual

Implements Interaction.

Member Data Documentation

AtomGroup* COMSpring::g1

protected

AtomGroup* COMSpring::g2

protected

flt COMSpring::k

protected

flt COMSpring::m1

protected

flt COMSpring::m2

protected

flt COMSpring::x0

protected

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The documentation for this class was generated from the following file:

• src/interaction.hpp