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bernstei
reviewed
Jun 16, 2025
| Tutorial 2: Lennard-Jones surface adsorption | ||
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| In this tutorial, you will be guide to use more advanced functions within Pymatpest package including the function that keeps selected atoms fixed and the function that restricts the permitted area for atoms. |
bernstei
reviewed
Jun 16, 2025
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| #!/usr/bin/env python | |||
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I suggest explicitly using python3 here, to avoid systems where python is still v2
bernstei
reviewed
Jun 16, 2025
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I don't think a script that is specific to the particular application should live in the top level directory of pymatnest, especially not with this generic a name. Can you move it into some directory that's specific to the tutorial, perhaps under docs?
bernstei
reviewed
Jun 16, 2025
| install.rst | ||
| getstart.rst | ||
| tutorial.rst | ||
| tutorial2.rst |
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is this really the correct name? I don't see an actual tutorial2.rst file anyplace
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Upload tutorial for adsorption on LJ surface