Allow using vesin in ASE calculator #659
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Luthaf
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Jun 21, 2024
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I added it to the docstring, but I didn't find a good place to add it to the ASE tutorial, simply because it doesn't use a NL :) |
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Good point for the tutorial 😄 |
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The ASE calculator is annoying for very simple potentials (I'm playing with a Morse potential) because the NL becomes slow for dense systems.
EDIT: the speed-up is crazy
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