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throw error for bonded interactions if particles are at the same posi… #4471

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christophlohrmann
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…tion

Fixes #4453

Description of changes:

  • if particle dist is 0 and the equilibrium extension of the bond is nonzero, throw error (because direction of the force cannot be determined)
  • affects FENE, harmonic and quartic bond

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@jngrad jngrad left a comment

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LGTM

@jngrad jngrad added this to the Espresso 4.2 milestone Mar 14, 2022
@jngrad jngrad added Core automerge Merge with kodiak labels Mar 14, 2022
@kodiakhq kodiakhq bot merged commit 9307467 into espressomd:python Mar 14, 2022
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Fene bond for distance=0 and r_0 != 0 wrong
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