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Unite BROWNIAN_PER_PARTICLE and LANGEVIN_PER_PARTICLE #4057

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merged 7 commits into from
Jan 14, 2021

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@jngrad jngrad commented Dec 17, 2020

Fixes #4008

Description of changes:

  • merge BROWNIAN_PER_PARTICLE and LANGEVIN_PER_PARTICLE into THERMOSTAT_PER_PARTICLE
  • remove per-particle temperature

The feature was introduced for visualization purposes and is no
longer used. Improper use of that feature can lead to unphysical
results. It also makes testing the thermostats a lot more difficult.
@jngrad jngrad added this to the Espresso 4.2 milestone Dec 17, 2020
@jngrad jngrad marked this pull request as draft December 17, 2020 18:16
This replaces BROWNIAN_PER_PARTICLE and LANGEVIN_PER_PARTICLE.
@jngrad jngrad marked this pull request as ready for review December 27, 2020 18:15
KaiSzuttor
KaiSzuttor previously approved these changes Jan 13, 2021
@KaiSzuttor KaiSzuttor added the automerge Merge with kodiak label Jan 14, 2021
@kodiakhq kodiakhq bot merged commit edf4d1d into espressomd:python Jan 14, 2021
@jngrad jngrad deleted the fix-4008 branch January 18, 2022 12:15
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Can BROWNIAN_PER_PARTICLE and LANGEVIN_PER_PARTICLE be united?
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