Skip to content

Commit 5995aeb

Browse files
committed
fixed the figure
1 parent 05ae19e commit 5995aeb

File tree

3 files changed

+6
-2
lines changed

3 files changed

+6
-2
lines changed

paper/basic_training.pdf

-183 Bytes
Binary file not shown.

paper/basic_training.tex

Lines changed: 6 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1051,13 +1051,17 @@ \subsubsection{Motivation}
10511051

10521052
\subsubsection{ Ewald Summation}
10531053

1054-
One way of handling the aforementioned issues in an efficient manner is to use the Ewald summation technique (ref, Ewald 1921). To understand this technique, lets represent the relation between the charge distriution and the coulombic potential in the differntial form (Poisson equation) :
1054+
One way of handling the aforementioned issues in an efficient manner is to use the Ewald summation technique (ref, Ewald 1921). To understand this technique, lets represent the relation between the charge distribution and the coulombic potential in the differential form (Poisson equation) :
10551055

10561056
\[
10571057
\Delta \phi(\boldsymbol{x}) = - \frac{1}{\epsilon} \rho(\boldsymbol{x})
10581058
\]
10591059

1060-
where, $ \boldsymbol{x} \epsilon R^3 $ , $\phi(\boldsymbol{x})$ is the potential at point $\boldsymbol{x}$, $\rho(\boldsymbol{x})$ is the charge at point $\boldsymbol{x}$ and $\epsilon$ is the permissivity of the medium. This equation is an elliptical partial differential equation(pde) of the second order. The standard way to determine the potential from this equation is a two step method - discretization of the equation followed by solution. These techniques however depend on the smoothness of the functions - $\rho$ and $\phi$ - involved. However, in the case of charge distribution in our simulation system, $\rho$ is a set of delta functions which are clearly not smooth! As $\rho$ is not smooth, $\phi$ is not smooth either. \\
1060+
where, $\phi(\boldsymbol{x})$ is the potential at point $\boldsymbol{x}$, $\rho(\boldsymbol{x})$ is the charge density at point $\boldsymbol{x}$ and $\epsilon$ is the permissivity of the medium.
1061+
This equation is an elliptical partial differential equation(pde) of the second order.
1062+
The standard way to determine the potential from this equation is a two step method - discretization of the equation followed by solution. These techniques however depend on the smoothness of the functions - $\rho$ and $\phi$ - involved.
1063+
However, in the case of charge distribution in our simulation system, $\rho$ is a set of delta functions which are clearly not smooth!
1064+
As $\rho$ is not smooth, $\phi$ is not smooth either. \\
10611065

10621066

10631067
Ewald method is based on replacing the point charge distributions by smooth charge distributions in order to use the fast solvation techniques of the pde. The most common smooth function used in Ewald method is the gaussian distribution although other distributions have been used as well. Thus,

paper/ewald.pdf

21 Bytes
Binary file not shown.

0 commit comments

Comments
 (0)