postopus 0.4.0

Postopus (the POST-processing of OctoPUS data) is an environment, written in python, that can help with the analysis of data that was computed using the Octopus package.

Postopus

Postopus (the POST-processing of OctoPUS data) is an environment that can help with the analysis of data that was computed using the Octopus TDDFT package.

• Documentation of Postopus: https://octopus-code.gitlab.io/postopus/index.html
• Quick start guide of Postopus on the MPCDF Binder:
• Run parts of the documentation interactivly:
• Run the Octopus tutorials re-written using Postopus:

Version support

Source	Octopus versions supported	Python versions supported
main branch	Octopus@13, 14, 15, 16	3.9, 3.10, 3.11, 3.12, 3.13
PyPI – postopus 0.4.0	Octopus@13, 14, 15, 16	3.9, 3.10, 3.11, 3.12, 3.13
PyPI – postopus 0.3.0	Octopus@13, 14, 15	3.9, 3.10, 3.11, 3.12
PyPI – postopus 0.2.0	Octopus@12	3.8, 3.9, 3.10
PyPI – postopus 0.1.0	Octopus@12	3.8, 3.9, 3.10

Installation

Install and update using pip:

pip install postopus[recommended]

Using pip install postopus[recommended] instead of pip install postopus will install some optional dependencies (like matplotlib and jupyter) which are highly recommended for all users. See DEVELOPERNOTES.md for an editable installation.

How to cite

Zenodo entry

Binder and MPCDF Gitlab repository clone

The MPCDF Binder service we use only accepts repositories on the MPCDF Gitlab. The authoritative Postopus source is at https://gitlab.com/octopus/postopus. We thus have a clone of the Postopus repository at the MPCDF Gitlab. The main branch of the repo at gitlab.com is pushed to the MPCDF repository regularly. See DEVELOPERNOTES.md for details.