| 7:59:37 AM PST - Mon, Jan 24th 2011 |
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Hello,
I'd like to upload the file with the changes, but I have no idea how. So I send it to you by mail.
As I mentioned they are rather crude. Especially the part that introduce user defined c6 coefficients. I set it to print some more information in medium print level.
You may unpack the file in your NWCHEM_TOP directory and the files will pop to the right places. All old files are stored as file-org. When recompiling you may have to remove the $NWCHEM_TOP/lib/LINUX64/libnwdft.a file.
Best Regards,
Karol Strutynski
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