[SOLVED] Typos in manual under **RESPONSE/*LINEAR

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ejberquist
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First name(s): Eric
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[SOLVED] Typos in manual under **RESPONSE/*LINEAR

Post by ejberquist » 20 Apr 2016, 21:06

For at least the 2015 and 2016 versions of the manual, under the selection of linear response operators:
.FERMI Sets A and B to be all spin-dipole operators found on the file AOPROPER, i.e. all
spin-dipole operators requested in the **INTEGRALS input module.
1. .FERMI should actually be .SPIN-D.

2. .ECD and .OECD are not valid selections.

hjaaj
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Re: Typos in manual under **RESPONSE/*LINEAR

Post by hjaaj » 21 Apr 2016, 09:02

Thank you for your bug report.

The .FERMI error is clearly a cut and paste error, and I have now corrected it to .SPIN-D for the coming Dalton2016.2 release.

I believe the .ECD and the .OECD should be valid (and functioning) selections, although I can see they do not enter in any test in the test suite. Note that they are only valid together with the .SINGLE keyword -- something which is clearly not obvious from the manual. This is true for many more of the keywords, we should restructure that part of the manual to make that clear. I have created a "to-do" for that.

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