| 9:35:26 AM PDT - Mon, May 28th 2018 |
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I have just installed the updates of the oprating system, and have not recompile NWCHEM6.8, and now the calculation gave different excitation orbitals.
I have put the log files on github, and you can refer to them.
I will recompile it and see.
They are also different on macOS High Sierra.
I have put the log files on github.
Recompilation of NWCHEM6.8 on Ubuntu makes the double contribution different.
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