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huahuazan

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6Â¥: Originally posted by dxcharlary at 2012-03-18 13:09:48:
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7Â¥: Originally posted by huahuazan at 2012-03-19 10:09:59:
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7Â¥: Originally posted by huahuazan at 2012-03-19 10:09:59:
BFGS: WARNING - Geometry optimization failed to converge after        100 steps

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