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NNPOps 0.3 #73

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raimis opened this issue Dec 7, 2022 · 6 comments
Closed

NNPOps 0.3 #73

raimis opened this issue Dec 7, 2022 · 6 comments
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Accelerated NNP in OpenMM

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@raimis
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raimis commented Dec 7, 2022

It is time for the next release.

I think we are missing just an example for getNeighborPairs, so users can easily discover that operation.
@raimis raimis added this to In progress in Accelerated NNP in OpenMM via automation Dec 7, 2022
@raimis
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raimis commented Dec 7, 2022 •
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Ping @peastman @giadefa @jchodera

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peastman commented Dec 7, 2022

Let's also get in #70. It makes getNeighborPairs() more useful.

@raimis
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raimis commented Jan 12, 2023

We should go with a release. Users are hitting (#76) a bug, which we already fixed, but have not released.

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raimis commented Jan 12, 2023

We can make another release when #70 is finished.

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raimis commented Jan 12, 2023

OK! #70 is merged. I'll make a release.

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raimis commented Jan 13, 2023

NNPOps 0.3 has been released.

@raimis raimis closed this as completed Jan 13, 2023
Accelerated NNP in OpenMM automation moved this from In progress to Done Jan 13, 2023
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