Exploration Functions

Utility Functions

HDF5 File Compression

You can use the following function to compress an existing HDF5 file that already contains a trajectory. This only works under Linux.


Simple progressbar that can be used during a for-loop (no initialisation necessary). It displays progress and estimates remaining time.

Multiprocessing Directory Creation

Function that calls os.makedirs but takes care about race conditions if multiple processes or threads try to create the directories at the same time.

Merging many Trajectories

You can easily merge several trajectories located in one directory into one with

Manual Runs

If you don’t want to use an Environment but manually schedule runs, take a look at the following decorator:

General Equality Function and Comparisons of Parameters and Results