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Merge pull request #11 from MDIL-SNU/YutackPark-patch-1
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Update README.md
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YutackPark authored Nov 23, 2023
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Expand Up @@ -17,7 +17,7 @@ The installation and usage of SEVENNet are split into two parts: training (handl

## Known issues

* The stress of parallel version lammps is not supported yet.
* The pressure of parallel version in lammps is not supported yet. (The pressure on lammps log is wrong)
* When using parallel MD, if the simulation cell is too small (one of cell dimension < cutoff radius), the calculated force is incorrect.

## Requirements for Training
Expand All @@ -27,7 +27,7 @@ The installation and usage of SEVENNet are split into two parts: training (handl
* [`TorchGeometric`](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html)
* [`pytorch_scatter`](https://github.com/rusty1s/pytorch_scatter)

You can find the installation guides for these packages from the [`PyTorch official`](https://pytorch.org/get-started/locally/), [`TorchGeometric docs`](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html`) and [`pytorch_scatter`](https://github.com/rusty1s/pytorch_scatter). Remember that these packages have dependencies on your CUDA version.
You can find the installation guides for these packages from the [`PyTorch official`](https://pytorch.org/get-started/locally/), [`TorchGeometric docs`](https://pytorch-geometric.readthedocs.io/en/latest/install/installation.html) and [`pytorch_scatter`](https://github.com/rusty1s/pytorch_scatter). Remember that these packages have dependencies on your CUDA version.

## Installation for Training

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