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Add default_gamma and default_gamma_r to rattle methods #1589

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joaander opened this issue Jul 21, 2023 · 1 comment
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Add default_gamma and default_gamma_r to rattle methods #1589

joaander opened this issue Jul 21, 2023 · 1 comment
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@melodyyzh
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enhancement New feature or request good first issue Good for newcomers md MD component

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@joaander
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Description

Add default_gamma and default_gamma_r arguments to the constructors of:

  • hoomd.md.methods.rattle.Brownian
  • hoomd.md.methods.rattle.Langevin
  • hoomd.md.methods.rattle.OverdampedViscous

Proposed solution

method = hoomd.md.methods.rattle.Brownian(..., default_gamma=1.0, default_gamma_r=(1.0, 1.0, 1.0))

Additional context

Include these arguments for consistency with the non-rattle methods:
https://hoomd-blue--1586.org.readthedocs.build/en/1586/module-md-methods.html#hoomd.md.methods.Brownian
@joaander joaander added enhancement New feature or request good first issue Good for newcomers md MD component labels Jul 21, 2023
@melodyyzh melodyyzh self-assigned this Jul 27, 2023
@melodyyzh melodyyzh mentioned this issue Jul 28, 2023
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@joaander
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joaander commented Aug 4, 2023

Fixed in #1596.

@joaander joaander closed this as completed Aug 4, 2023
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