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.\" DO NOT MODIFY THIS FILE! It was generated by help2man 1.49.3.
.TH CCFRAME "1" "December 2025" "ccframe 1.8.1" "User Commands"
.SH NAME
ccframe \- cclib script for writing data tables from computational chemistry files
.SH DESCRIPTION
usage: ccframe [\-h] [\-O OUTPUT] [\-\-identifier IDENTIFIER] [\-f]
.IP
compchemlogfile [compchemlogfile ...]
.SS "positional arguments:"
.TP
compchemlogfile
one or more computational chemistry output files to
parse and convert
.SS "options:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-O\fR, \fB\-\-output\fR OUTPUT
the output document to write, including an extension
supported by pandas (csv, h5/hdf/hdf5, json,
pickle/pkl, xlsx)
.TP
\fB\-\-identifier\fR 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
.TP
\fB\-f\fR, \fB\-\-force\fR
overwrite output file in case it already exists
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