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WIP add cutoff by type#4826

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christophlohrmann wants to merge 5 commits intoespressomd:pythonfrom
christophlohrmann:cutoffs
Open

WIP add cutoff by type#4826
christophlohrmann wants to merge 5 commits intoespressomd:pythonfrom
christophlohrmann:cutoffs

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@christophlohrmann
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Fixes #4819

Description of changes:

  • Added cutoffs by type
  • no guarantees with regards to execution speed

@christophlohrmann
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@RudolfWeeber does this look like what you had in mind?

@RudolfWeeber
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LGTM. Just please rename the functions working on type lists to make it clear that they only concern non_bonded interactions

  • Dipoles are also a non-central interation.

@RudolfWeeber
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Once this is merged, the hzbrid decompositoin can be adapted to determine the cutoff automtically. However, then, electrostatics and dipolar and collision cutoffs need to be taken into account.

@christophlohrmann
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LGTM. Just please rename the functions working on type lists to make it clear that they only concern non_bonded interactions

  • Dipoles are also a non-central interaction.
  1. Is the rename really necessary if the functions are members of InteractionsNonBonded
  2. which of the nonbonded interactions is "dipoles"?

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Interface for querying non-bonded interactions

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