OpenMD 3.1
Molecular Dynamics in the Open
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OpenMD::UniformField Class Reference

Applies a uniform (vector) electric field to the system. More...

#include <UniformField.hpp>

+ Inheritance diagram for OpenMD::UniformField:

Public Member Functions

 UniformField (SimInfo *info)
 

Additional Inherited Members

- Protected Member Functions inherited from OpenMD::ForceModifier
 ForceModifier (SimInfo *info)
 
- Protected Attributes inherited from OpenMD::ForceModifier
SimInfoinfo_ {nullptr}
 

Detailed Description

Applies a uniform (vector) electric field to the system.

The field is applied as an external perturbation. The user specifies

uniformField = (a, b, c);

in the .omd file where the values of a, b, and c are in units of \( V / \AA \)

The electrostatic potential corresponding to this uniform field is

\( \phi(\mathbf{r}) = - a x - b y - c z \)

which grows unbounded and is not periodic. For these reasons, care should be taken in using a Uniform field with point charges.

The field itself is

\( \mathbf{E} = \left( \begin{array}{c} a \\ b \\ c \end{array} \right) \)

The external field applies a force on charged atoms, \( \mathbf{F} = C \mathbf{E} \). For dipolar atoms, the field applies both a potential, \( U = - \mathbf{D} \cdot \mathbf{E} \) and a torque, \( \mathbf{\tau} = \mathbf{D} \times \mathbf{E} \).

Definition at line 83 of file UniformField.hpp.

Constructor & Destructor Documentation

◆ UniformField()

OpenMD::UniformField::UniformField ( SimInfo * info)

Definition at line 61 of file UniformField.cpp.


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