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Signed-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>
@MtoLStoN MtoLStoN requested a review from awvwgk June 24, 2022 14:49
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Thanks for sharing. Looks good to me.

@awvwgk awvwgk added bug Something isn't working method: GFN-FF Related to the GFN-FF method driver: optimization Related to the geometry optimization driver labels Jun 24, 2022
@awvwgk awvwgk added this to the v6.5.1 milestone Jun 24, 2022
Signed-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>
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Should now also raise less errors with the default hessian.

@awvwgk awvwgk merged commit 1b49065 into grimme-lab:main Jun 27, 2022
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bug Something isn't working driver: optimization Related to the geometry optimization driver method: GFN-FF Related to the GFN-FF method
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2 participants