OpenMD 3.1
Molecular Dynamics in the Open
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Applies a uniform (vector) electric field to the system. More...
#include <UniformField.hpp>
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 | |
SimInfo * | info_ {nullptr} |
Applies a uniform (vector) electric field to the system.
The field is applied as an external perturbation. The user specifies
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.
OpenMD::UniformField::UniformField | ( | SimInfo * | info | ) |
Definition at line 61 of file UniformField.cpp.