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Negative Force Constants #272

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jthorton opened this issue Jul 20, 2021 · 0 comments
Open

Negative Force Constants #272

jthorton opened this issue Jul 20, 2021 · 0 comments
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question Further information is requested

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@jthorton
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In some cases, we can calculate negative force constants using the modified Seminario method for bonds. This seems to be when we are not at the true minimum and we should probably raise an error if the force constants are calculated to be negative.
@jthorton jthorton added the question Further information is requested label Apr 11, 2022
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