From NWChem
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Gets Around
Threads 16
Posts 115
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4:14:52 AM PDT - Tue, Jun 5th 2012 |
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Cheers Gary,
I think the most important factor is that people know about the quirks ref SCF/DFT and atom order. Fixes can come a lot later. Since I'm not entirely foreign to python I might even be able to make an active contribution.
On behalf of the community, thank you for your hard work,
Andy
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