Installation Manual PyOrbb v0.12.19#

PyOrbb Graphical User Interface#

Download and install the latest PyOrbb version here:

Select the appropriate installer for your operating system and follow the installation instructions.

PyOrbb Python Library#

Installation of PyOrbb for use with Python is straightforwardly done via pip:

python -m "pip install pyorbb"

Expert users who would like to work on the code may also install the source code:

git clone git@github.com:TheoChem-VU/PyOrbb.git
cd PyOrbb
python -m "pip install -e ."

To check if PyOrbb is correctly installed try to run the following:

pyorbb --help

which should output:

usage: pyorbb [-h] {excel,open} ...

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

PyOrbb command-line scripts:
  {excel,open}
    excel       Read orbital information from an ADF calculation and write them to an Excel file.
    open        Start the PyOrbb analysis program