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Add Bondi and Alvarez Radii #46

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merged 2 commits into from
Mar 19, 2021
Merged

Add Bondi and Alvarez Radii #46

merged 2 commits into from
Mar 19, 2021

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rsdefever
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@rsdefever rsdefever commented Mar 19, 2021

Closes #10.

Adds van der Waals radii with two options, the Bondi radii and Alvarez radii.

Links to papers:
Alvarez (Table 1)
Bondi 1 (Tables I and XIV) and 2 (Table 1).

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@jennyfothergill jennyfothergill left a comment

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LGTM! I only found two differences and they had to do with the precision. Thanks for doing this. :)

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@justinGilmer justinGilmer left a comment

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lgtm, just a few edits/double checks needed.

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@rsdefever
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@justinGilmer can you confirm that the numbers were correct?

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Ok those numbers for Cd and Hg are correct in the json file. I was not using the updated values from the 2nd Bondi paper.

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Add atomic radii?
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