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Adding RMSD#38

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AlexandreDeCamargo wants to merge 4 commits intotheochem:masterfrom
AlexandreDeCamargo:alex_PyCI
Open

Adding RMSD#38
AlexandreDeCamargo wants to merge 4 commits intotheochem:masterfrom
AlexandreDeCamargo:alex_PyCI

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@AlexandreDeCamargo
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@AlexandreDeCamargo AlexandreDeCamargo commented Apr 9, 2024

Adding the calculation of the root mean square deviation (RMSD) for AP1roG and pCCD+S wavefunction.

@RichRick1 RichRick1 self-requested a review April 11, 2024 13:58
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