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Interface for querying non-bonded interactions #4819

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RudolfWeeber opened this issue Nov 14, 2023 · 0 comments · May be fixed by #4826

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RudolfWeeber commented Nov 14, 2023

It should be possible to find out

if only pairwise central forces are active (for struct-of-arrays based force calculation)
What is the maximum required cutoff for a given list of particle types, or for all particle types except a given list of types (for automoatically determining the cutoff for the RegularDecompoistoin which is part of the HybridDecompositoin)

jngrad assigned christophlohrmann

jngrad added the Core label

christophlohrmann linked a pull request

that will close this issue

WIP add cutoff by type #4826

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