Add documentation for using command line interface - Githubissues

dftd3 / simple-dftd3

reimplementation of the DFT-D3 program

https://dftd3.readthedocs.io

GNU Lesser General Public License v3.0

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Add documentation for using command line interface #67

Closed awvwgk closed 2 days ago

awvwgk commented 1 month ago

Improve documentation for command line interface (currently at https://github.com/dftd3/simple-dftd3/blob/main/man/s-dftd3.1.adoc).

[ ] include reference for command line arguments
[ ] add tutorial for computing dispersion correction for dimer system
[ ] add tutorial for using pairwise resolved dispersion energies
[ ] add recipes for using custom parameters