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NWChem/QA/tests/dmo_tddft_cd
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Jochen Autschbach ee22f46557 It appears that much of the functionality of 
the response / aoresponse module was not subject to QA testing.
Also missing: Rotatory strengths from the TDDFT code. I modified
nwparse.pl to include some of these data. The output format
for the average polarizability and optical rotation was changed,
prompting the replacement of some of the reference outputs in
QA/tests, based on running doafewqmtests.mpi. There may be 
more outputs that need to be replaced. 
The test udft_aoresp has incorrect response data because inconsistent
input options are specified. This needs to be looked into.
2016-01-26 19:51:48 +00:00
..
dmo_tddft_cd.nw It appears that much of the functionality of 2016-01-26 19:51:48 +00:00
dmo_tddft_cd.out It appears that much of the functionality of 2016-01-26 19:51:48 +00:00