Invoke Release has been tested on Python 2.7 and 3.5 and on Mac OS X and Ubuntu. It has not been tested on Windows at this time, but pull requests are welcome if issues are found with Windows. It ...

This fix allows you to call a Python function during a simulation run. The callback is either executed after forces have been applied to atoms or at the end of every N time steps. Callback functions ...

The Windows version of the Python interpreter can be run from the command line the same way it’s run in other operating systems, by typing python or python3 at the prompt. But there’s a feature unique ...