ParM  parm
A molecular dynamics library
Public Member Functions | Protected Attributes | List of all members
FixedForceRegion Class Reference

#include <interaction.hpp>

Inheritance diagram for FixedForceRegion:

Public Member Functions

 FixedForceRegion (vector< FixedForceRegionAtom > atoms=vector< FixedForceRegionAtom >())
void add (FixedForceRegionAtom a)
void add (AtomID a, Vec dir, vector< flt > bound, vector< flt > F)
uint size () const
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

vector< FixedForceRegionAtomatoms

Constructor & Destructor Documentation

FixedForceRegion::FixedForceRegion ( vector< FixedForceRegionAtom atoms = vector<FixedForceRegionAtom>())

Member Function Documentation

void FixedForceRegion::add ( FixedForceRegionAtom  a)
void FixedForceRegion::add ( AtomID  a,
Vec  dir,
vector< flt bound,
vector< flt F 
flt FixedForceRegion::energy ( Box box)

Potential energy due to this Interaction.

Implements Interaction.

flt FixedForceRegion::pressure ( Box box)

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 FixedForceRegion::set_forces ( Box box)

Implements Interaction.

uint FixedForceRegion::size ( ) const

Member Data Documentation

vector<FixedForceRegionAtom> FixedForceRegion::atoms

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