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initializing an ARCSpecies with is_ts=True and xyz results in an Error #71

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alongd opened this issue Feb 26, 2019 · 1 comment

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alongd commented Feb 26, 2019

It doesn't crush, but prints an error that "no method has converged". Instead, ARC should probably create a TSGuess object with a user guess method.

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alongd commented May 1, 2019

addressed by #124

alongd closed this as completed

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