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Charge calculation does not work for multiple molecules. #16

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cisert opened this issue Jun 22, 2021 · 2 comments · Fixed by #17
Closed

Charge calculation does not work for multiple molecules. #16

cisert opened this issue Jun 22, 2021 · 2 comments · Fixed by #17

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@cisert
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cisert commented Jun 22, 2021

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@josejimenezluna
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Oh.

@cisert cisert linked a pull request Jun 22, 2021 that will close this issue
Fix processing of xTB output for charge prediction. #17
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@cisert
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cisert commented Jun 22, 2021

@josejimenezluna: please check PR :)

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Fix processing of xTB output for charge prediction. josejimenezluna/delfta
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@josejimenezluna @cisert