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193 read the s2 operator expectation value and spin contamination for adf calculations #194

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YHordijk
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@YHordijk YHordijk commented Apr 3, 2024

Added reading of the properties as well as some tests

@YHordijk YHordijk added the enhancement New feature or request label Apr 3, 2024
@YHordijk YHordijk requested a review from SiebeLeDe April 3, 2024 00:00
@YHordijk YHordijk self-assigned this Apr 3, 2024
@YHordijk YHordijk merged commit f4f629f into main Apr 4, 2024
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@YHordijk YHordijk deleted the 193-read-the-s2-operator-expectation-value-and-spin-contamination-for-adf-calculations branch April 29, 2024 13:30
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Read the S^2-operator expectation value and spin-contamination for ADF calculations
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