Re: [AMBER-Developers] gpu_update_box

From: Scott Le Grand <varelse2005.gmail.com>
Date: Fri, 18 Mar 2022 09:29:44 -0700

Okeydokey, nobody cares. Therefore it's a bug and I'm going to fix it. Test
will be updated to reflect this. What SM revision should I use for the test
reference files?

On Thu, Mar 17, 2022, 13:14 Scott Le Grand <varelse2005.gmail.com> wrote:

> So, I *think* this routine is buggy...
>
> It takes the same arguments as gpu_pressure_scale, but it doesn't
> recalculate a, b, or c from the new unit cell like gpu_pressure_scale does.
> Tell me why this isn't a raging bug?
>
>
>
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Received on Fri Mar 18 2022 - 10:00:02 PDT
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