Welcome to Quantarhei’s Documentation!#
Qrhei is a Molecular Open Quantum Systems Simulator written predominantly in Python. Its name is derived from the famous aphorism “Panta rhei” of the Greek philosopher Heraclitus of Ephesus. “Panta rhei” means “Everything flows” or “Everything is in flux”, which is quite fitting when you change Panta into Quanta.
In “Quantarhei” the last four letter (“rhei”) should be written in Greek, i.e. (using LateX convention) “\rho \epsilon \iota”.
This page is meant to be the complete source of documentation for the Qrhei package. As the documentation project progresses, we will describe Qrhei’s main features and the philosophy behind them, together with a complete description of its functionality and content.
Large part of this documentation is based directly on Qrhei’s source code. Inspecting the source code should be an important part of learning to use Qrhei. Not only that you can learn to use Qrhei better by inspecting the source code, but, in a better case, you learn something usefull from how open quantum systems’ problems are solved in Qrhei. In a worse case, you will be motivated to fix Qrhei’s deficiencies.
There are two types of deficiencies that one can expect in Qrhei - a mild one: things work well but programming style is terrible, or things are not implemented in a general enough manner. In this case you are most welcome to fix the code. Make sure that your improvement is equipped with tests and that the coded passes all existing automatic tests.
A more serious defficiency is when you find that something is really implemented wrongly. The best approach then is to write an alternative test code which demonstrates the errors. Submit this to the maintainers and when they agree that the error is real, go ahead to fix it (or get it fixed by the maintainers).
Current status of Quantarhei#
Qrhei’s source code is available on Github. Binary packages are
published on PyPI and installable with pip install quantarhei.
The test suite runs on Python 3.10, 3.11, and 3.12 via GitHub Actions,
with coverage reported on Codecov.
Documentation is hosted on Readthedocs and built directly from the
source code.
Qrhei is Open Source software published under the MIT license.
Detailed Documentation#
Dive into Qrhei documentation below: