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Bond Valence implementation #9

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skirklin opened this issue Apr 12, 2014 · 0 comments
Open

Bond Valence implementation #9

skirklin opened this issue Apr 12, 2014 · 0 comments

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@skirklin
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The basic functions of the bond-valence-sum method are implemented, but more work needs to be done to decide what parameters to use, and how to implement the sum most efficiently. Most likely by first calling the Structure.find_nearest_neighbors() method, and looping over already identified nearest neighbors, but more testing should be done.

mohanliu pushed a commit that referenced this issue Sep 18, 2019
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