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Add tutorial on how to use 3c methods #125

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awvwgk opened this issue Nov 30, 2024 · 0 comments
Open

Add tutorial on how to use 3c methods #125

awvwgk opened this issue Nov 30, 2024 · 0 comments
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documentation Improvements or additions to documentation

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@awvwgk
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awvwgk commented Nov 30, 2024

Now that support of the geometric counter-poise correction is available, we should provide a tutorial on how to create a 3c method like PBEh-3c or B97-3c using the available APIs. One possibility would be to create a walkthrough for PySCF.
@awvwgk awvwgk added the documentation Improvements or additions to documentation label Nov 30, 2024
@awvwgk awvwgk changed the title Add tutorial on how to create 3c methods Add tutorial on how to use 3c methods Nov 30, 2024
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