Installation

Stable release

To install the DFTB+ Step, run this command in your terminal:

$ pip install dftbplus_step

This is the preferred method to install DFTB+ Step, as it will always install the most recent stable release.

If you don’t have pip installed, this Python installation guide can guide you through the process.

From sources

The sources for DFTB+ Step can be downloaded from the Github repo.

You can either clone the public repository:

$ git clone git://github.com/molssi-seamm/dftbplus_step

Or download the tarball:

$ curl  -OL https://github.com/molssi-seamm/dftbplus_step/tarball/master

Once you have a copy of the source, you can install it with:

$ python setup.py install