Convert C struct/union definitions into Python classes with methods for serializing/deserializing. The usage is very simple: create a class subclassing cstruct ...

Numerov’s numerical method is developed in a didactic way by using Python in its Jupyter Notebook version 6.0.3 for three different quantum physical systems: the hydrogen atom, a molecule governed by ...

f90wrap is a tool to automatically generate Python extension modules which interface to Fortran code that makes use of derived types. It builds on the capabilities of the popular f2py utility by ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Programming is a key transferable skill within the chemical sciences with applications ...

Python is rapidly becoming the de facto standard language for systems integration. Python has a large user and developer-base external to the neuroscience community, and a vast module library that ...

We report an educational tool for the upper level undergraduate quantum chemistry or quantum physics course that uses a symbolic approach via the PySyComp Python library. The tool covers both ...