generalization of output + adding tddft example #21
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This PR aims to:
replace the tiny parsing of
cclib
in plugin parser with full parsed data. Initially, I have done that the other way as there was an issue storing dictionary withnan
values. For more detail see:Migration for Inf / NaN float values. aiidateam/aiida-core#3450
Float no longer supports Inf aiidateam/aiida-core#2412
I have put a function in parser which removes such values and therefore, decided to have all parsed data by
cclib
stored inoutput_parameters
. Then, we can do more parsing and filtering and any other logic at the workchain level.It also solves Adding TDDFT example #17