Installation

PyPWDFT is available via both Anaconda as well as PyPi. If you are using Windows and have little experience with Python, we recommend to use Anaconda. Anaconda is a complete Python package containing many modules and useful programs. Anaconda can be obtained via this link.

Note

If you run into trouble installing PyPWDFT in Anaconda, an easy solution can be to create a separate environment for Anaconda. Please consult the “Troubleshooting” section as seen below.

Anaconda

Open a Anaconda command prompt and run the following command:

conda install -c ifilot pypwdft mendeleev pyfftw

PyPi

Open a terminal and run the following command:

pip install pypwdft mendeleev pyfftw

Testing

To test that your installation is working, you can run the following snippet of code

import pypwdft
print(pypwdft.__version__)

The version number should be returned.