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learningmatter-mit / NeuralForceField

Neural Network Force Field based on PyTorch
MIT License
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Delete top-level __init__.py #1

Closed rsokl closed 3 years ago

rsokl commented 3 years ago

Hello!

There is a __init__.py file in the top-level of this repo (NeuralForceField/__init__.py). This makes the entire repo look like a Python package, whereas nff/ is the proper beginning of your Python package.

Thus this PR deletes NeuralForceField/__init__.py

simonaxelrod commented 3 years ago

Thanks for pointing this out! Will merge now

rsokl commented 3 years ago

@simonaxelrod did you mean to delete EnsembleNFF? (pushed 5 minutes ago)

https://github.com/learningmatter-mit/NeuralForceField/commit/06ec680678684c94a8837245098f9bdcd16a8f95

simonaxelrod commented 3 years ago

Yeah the class was defined twice for some reason. So I just deleted one of the duplicates

On Mon, Nov 1, 2021 at 3:14 PM Ryan Soklaski @.***> wrote:

@simonaxelrod https://github.com/simonaxelrod did you mean to delete EnsembleNFF? (pushed 5 minutes ago)

06ec680 https://github.com/learningmatter-mit/NeuralForceField/commit/06ec680678684c94a8837245098f9bdcd16a8f95

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rsokl commented 3 years ago

Gotchya. Just wanted to make sure! 😄

simonaxelrod commented 3 years ago

Yep - thanks for checking!