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Allow to calc energy contrib for single bond #5040

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merged 1 commit into from
Feb 11, 2025

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@RudolfWeeber RudolfWeeber commented Feb 6, 2025

via system.analysis.particle_bond_energy(particle,bond).

This also makes sure _bond_id is set on BondedInteraction instances once the bond has been added to the system, and for instances returned by particle.bonds.

@RudolfWeeber RudolfWeeber requested a review from jngrad February 7, 2025 13:07
@jngrad jngrad added this to the ESPResSo 4.3.0 milestone Feb 11, 2025
@jngrad jngrad added New Feature automerge Merge with kodiak labels Feb 11, 2025
@kodiakhq kodiakhq bot merged commit 91fa77a into espressomd:python Feb 11, 2025
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