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Sun Mar 17 09:18:24 2019 UTC (5 years, 2 months ago) by tsscds File size: 210 byte(s) dat files updates --General section-- charge 0 mult 1 LowLevel pm7 threads=1 --CDS section-- sampling association A= cat B= co rotate 2 com 2.0 1.0 --Screening of the structures section-- avgerr 0.0001 bigerr 5 thdiss 0.1
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