Question regarding the Turbomole parser - cclib user

[Eline Desmedt]

Dear cclib developers,

I am currently using cclib to parse my data to then perform my data analysis of various quantum-chemistry software. I really enjoy the package!
Today tried to parse the CCSD, ADC2 and CC2 excitation energies and oscillator strengths from one Turbomole output, more specifically from the RICC2 program.
However, I observe that the Turbomole parser does not consistently parse out all the oscillator strengths, excitation energies etc at the different level of theory and skips some of the results for some files and not for some other generated files.

I was wondering whether this behaviour has already been observed and whether there are some recommendations to overcome this problem.

Thanks in advance!

Kind regards,

Eline Desmedt

[Eric Berquist]

Hello Eline,

Do you have an example of an output (for Turbomole, I suppose a collection of files) you can share where the parser doesn't work as expected? There aren't any open issues right now that deal with Turbomole. If you need help creating an issue (https://github.com/cclib/cclib/issues/new), please let us know.

Eric