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Copy file name to clipboardExpand all lines: paper/basic_training.tex
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@@ -1098,9 +1098,7 @@ \subsubsection{Grid based Ewald summation}
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\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.
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\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.
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\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?}
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\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.
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\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.
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\item Force calculation: The force is given by the gradient of the potential.
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