Skip to content

Commit 8b445ee

Browse files
committed
Clarify the bit on modifying the grid; remove remaining to-do item
1 parent 9ac306d commit 8b445ee

File tree

1 file changed

+1
-3
lines changed

1 file changed

+1
-3
lines changed

paper/basic_training.tex

Lines changed: 1 addition & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1098,9 +1098,7 @@ \subsubsection{Grid based Ewald summation}
10981098

10991099
\item Transformation of the grid to reciprocal space: A Fast Fourier Transform (FFT) is used to convert the charges on the grid to their equivalent Fourier space structure factors.
11001100

1101-
\item Energy calculation: The reciprocal space potential is calculated by solving the Poisson equation in Fourier space. At the same time, the grid is modified to store the reciprocal space potential.
1102-
\todo[inline, color={yellow!20}]{DLM: What does ``the grid is modified'' mean here and is it important? Does this mean just that the potential is stored at for each grid point?}
1103-
1101+
\item Energy calculation: The reciprocal space potential is calculated by solving the Poisson equation in Fourier space, and the reciprocal space potential is then stored on the grid.
11041102

11051103
\item Transformation of the grid back to real space: An Inverse FFT is used to convert the reciprocal space potential back to the real space.
11061104
\item Force calculation: The force is given by the gradient of the potential.

0 commit comments

Comments
 (0)