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6 contributions in the last year

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Contribution activity

November 2022

Created an issue in nwchemgit/nwchem that received 5 comments

XYZ file output improper format

I am using the DFT module in NWChem 7.0.0 with the input below which produces an XYZ file of the optimized geometry. However the first two lines of…

5 comments

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