Parsed data (version 1.8)

This is a list of all the data parsed by the current official release of cclib (namely version 1.8). For the same list for the development version, see development parsed data. For details and miscellaneous notes on these attributes, see the data notes page.

Description of parsed data

Click the attribute name in the table below to go the notes and specifications for a particular attribute. All arrays are Numpy arrays of type ‘d’ (if containing floats) or ‘i’ (if containing integers).

Details of current implementation

The autogenerated table below details which attributes are supported by which parsers based on unit tests. Note that only actively maintained parsers are listed here, although legacy parsers are still testing with old data as regressions. To see the full list of parsers, see the summary page.

N/A = not applicable, N/P = applicable, but not possible, T/D = to do