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Thermostats need better documentation #4812

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christophlohrmann opened this issue Oct 18, 2023 · 2 comments · Fixed by #4914
Closed

Thermostats need better documentation #4812

christophlohrmann opened this issue Oct 18, 2023 · 2 comments · Fixed by #4914
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@christophlohrmann
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The documentation for the brownian thermostat should mention the equation of motion and the way it is solved numerically.
Use the Langevin doc as inspiration.

Well suited for espresso newcomers at their first coding day
@jngrad
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jngrad commented Nov 21, 2023

Some of the other thermostats are also quite poorly documented.

Feel free to recycle the LaTeX equations written down in #4015 (comment)

@jngrad jngrad changed the title Brownian thermostat needs better documentation Thermostats need better documentation Nov 21, 2023
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jngrad commented Apr 3, 2024

In addition, the notation for the particle position is inconsistent and is missing arrows, so it's not always obvious whether equations relate to the 1D case or 3D case. See #4898 (comment) for more details.

@christophlohrmann christophlohrmann mentioned this issue Apr 26, 2024
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@kodiakhq kodiakhq bot closed this as completed in #4914 Apr 26, 2024
kodiakhq bot added a commit that referenced this issue Apr 26, 2024
@kodiakhq
Improve documentation of integrators and thermostats (#4914)
8e2ef76 
Fixes #4812 

Changes:
- Shuffle paragraphs around.
- General clean-up
- vector notation
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Improve documentation of integrators and thermostats christophlohrmann/espresso
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