Sh jl/lammps #501
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Sh jl/lammps #501
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mgastegger
previously approved these changes
Mar 3, 2023
Fix: link to tutorial was deprecated
typo
mgastegger
previously approved these changes
Mar 3, 2023
Fixes after review of tutorial.
Changed environment instructions.
Added examples from readthedocs and updated lammps part with link.
|
should be ready for merge now |
mgastegger
requested changes
Mar 7, 2023
README.md
Outdated
| @@ -25,6 +20,7 @@ extensible to custom atomistic architectures. | |||
| - Atomic Simulation Environment (ASE) 3.21 | |||
| - NumPy | |||
| - PyTorch 1.9 | |||
| - PyTorch Lightning 1.4.5 | |||
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Versions should match setup.py (1.9)
NiklasGebauer
requested changes
Mar 7, 2023
Fixed version number for PyTorch Lightning and typo in Tensorboard part.
The "installing using pip" part was gone, fixed the syntax to have it in the guide again and also fixed a typo in tensorboard.
Added "torch>=1.9" to the requirements.
NiklasGebauer
approved these changes
Mar 7, 2023
mgastegger
approved these changes
Mar 7, 2023
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LAMMPS Interface