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As mentioned by @kvhuguenin in #70, the change of the interpolation scheme from the P3M one to the Lagrange should make things converge faster, while actually the error of the force become larger (relative error from 3.5e-3 to 5.0e-3). Further tests are needed to see if Lagrange does converge faster, and if there is potential bug in the implementation.
The way how to do it is not determined for now.
The text was updated successfully, but these errors were encountered:
Perhaps to add to this: the error estimates we use (or will use for PME) are also coupled to the interpolation schemes. Thus, one of the next PRs we will do on implementing the error bounds for PME will probably be the ideal place to investigate this further.
As mentioned by @kvhuguenin in #70, the change of the interpolation scheme from the P3M one to the Lagrange should make things converge faster, while actually the error of the force become larger (relative error from
3.5e-3
to5.0e-3
). Further tests are needed to see if Lagrange does converge faster, and if there is potential bug in the implementation.The way how to do it is not determined for now.
The text was updated successfully, but these errors were encountered: