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Implement manual trigger of bond breakage #4995

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merged 1 commit into from
Feb 19, 2025

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1234somesh
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@1234somesh 1234somesh commented Sep 25, 2024

Fixes #4665

RudolfWeeber
RudolfWeeber previously approved these changes Feb 7, 2025
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@jngrad jngrad left a comment

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The feature is missing a test. The feature throws an exception.

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The probelm was that

  • bond breakage handlers return true if they did something
  • but kernels to cell_strucutre::bonded_loop (and short_range_loop) return true if a bond is broken

I.e. the return value of the former has to be discarded in the latter.

@jngrad jngrad changed the title bond breakage Implement manual trigger of bond breakage Feb 19, 2025
Co-authored-by: Rudolf Weeber <weeber@icp.uni-stuttgart.de>
Co-authored-by: Jean-Noël Grad <jgrad@icp.uni-stuttgart.de>
@jngrad jngrad added this to the ESPResSo 4.3.0 milestone Feb 19, 2025
@kodiakhq kodiakhq bot merged commit 585ded2 into espressomd:python Feb 19, 2025
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Implement manual trigger of bond breakage (for use with Lees-Edwards)
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