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Update customizing potentials notebook for kT change #120

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cwbeitel opened this issue Feb 4, 2021 · 1 comment
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Update customizing potentials notebook for kT change #120

cwbeitel opened this issue Feb 4, 2021 · 1 comment

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@cwbeitel
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cwbeitel commented Feb 4, 2021

Looks like c55ec95 may have broken the customizing potentials notebook. E.g. in various places, simulate.brownian calls need changes of parameterization from T_schedule=1.0 to kT=1.0.

I'll just go ahead and submit a patch and maybe a test to verify notebooks run without error?

Thanks a lot for this work, @sschoenholz and others, it's been really interesting to learn about.
cwbeitel added a commit to cwbeitel/jax-md that referenced this issue Feb 4, 2021
@cwbeitel
Fixes jax-md#120
5053859
sschoenholz added a commit that referenced this issue Feb 5, 2021
@sschoenholz
Updated to be compatible with new Brownian motion temperature convent…
1c0545c 
…ion. (Issue #120).
@sschoenholz
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Thanks for trying out jax md and for quick identification of the issue!

@cwbeitel cwbeitel closed this as completed Feb 5, 2021
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@cwbeitel @sschoenholz