NAME

       ccframe - cclib script for writing data tables from computational chemistry files

DESCRIPTION

       usage: ccframe [-h] [-O OUTPUT] [--identifier IDENTIFIER] [-f]

              compchemlogfile [compchemlogfile ...]

   positional arguments:
       compchemlogfile
              one or more computational chemistry output files to parse and convert

   options:
       -h, --help
              show this help message and exit

       -O, --output OUTPUT
              the  output document to write, including an extension supported by pandas (csv, h5/hdf/hdf5, json,
              pickle/pkl, xlsx)

       --identifier IDENTIFIER
              name of sheet which will contain DataFrame, if writing to an Excel file,  or  identifier  for  the
              group in HDFStore, if writing a HDF file

       -f, --force
              overwrite output file in case it already exists

ccframe 1.8.1                                     December 2025                                       CCFRAME(1)