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Does anybody know if there exists a code that calculates the potential energy for a system with both point charges and point dipoles using Ewald summation?

This would be a great help to my Master thesis.

I appreciate all contributions, this includes any suggestion to good codes that are only for point charges (but can easily be extended to dipoles).

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    $\begingroup$ If you haven't already gotten an answer (or you have and want to post it somewhere), you might want to try the new Materials Modeling SE $\endgroup$
    – Tyberius
    Commented May 16, 2020 at 18:47
  • $\begingroup$ There is also an "ewald-summation" tag on the Materials Modeling Stack Exchange. $\endgroup$
    – user1271772
    Commented May 17, 2020 at 2:03
  • $\begingroup$ Thank you for your suggestions. I have not seen any open-source codes that considers both point-charges and point dipoles and have therefore had to work around the issue in my master thesis. I'll definitely check out the Materials Modeling SE for future works. $\endgroup$
    – Lodin Ellingsen
    Commented May 18, 2020 at 9:47

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You probably don't need this code anymore, but I figured someone else might, so I put it like this Ewald sum code for Kspace. Any other questions about Ewald Sum feel free to ask me.

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