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Central chapter for thermostats and integrators #3913

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jngrad opened this issue Sep 25, 2020 · 1 comment · Fixed by #4080
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Central chapter for thermostats and integrators #3913

jngrad opened this issue Sep 25, 2020 · 1 comment · Fixed by #4080
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Espresso 4.2.0

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jngrad commented Sep 25, 2020 •
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The number of thermostats and integrators has increased in 4.2, and their documentation has improved substantially. They are currently documented in chapters "3. Setting up the system" and "5. Running the simulation", respectively. However, they are tightly coupled to each other. I think the user guide would be more intuitive if thermostats were moved into chapter "5. Running the simulation".

The restructured user guide would look like this:

  1. Setting up the system
    1. Setting global variables in Python
    2. Cellsystems
    3. CUDA
  2. Setting up particles
  3. Running the simulation
    1. Thermostats
      • Langevin
      • LB
      • DPD
      • Isotropic
      • Brownian
      • Stokesian
    2. Integrators
      • Velocity Verlet
      • Isotropic NPT
      • Steepest descent
      • Stokesian Dynamics
    3. Rotational degrees of freedom and particle anisotropy
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jngrad commented Sep 27, 2020

The Brownian integrator is not documented in the user guide.

@jngrad jngrad added this to the Espresso 4.2 milestone Dec 4, 2020
@jngrad jngrad changed the title Dedicated chapters for thermostats and integrators Central chapter for thermostats and integrators Dec 4, 2020
@jngrad jngrad self-assigned this Dec 30, 2020
@jngrad jngrad mentioned this issue Jan 1, 2021
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@kodiakhq kodiakhq bot closed this as completed in #4080 Jan 4, 2021
kodiakhq bot added a commit that referenced this issue Jan 4, 2021
@kodiakhq
Central chapter for thermostats and integrators (#4080)
6a6af4e 
Fixes #3913

Description of changes:
- move thermostats and integrators to the same chapter
- mention the Brownian integrator (links to the Brownian thermostat)
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