mlxtk

Toolkit to design, run and analyze ML-MCTDH(X) simulations

Description

mlxtk gives the user a simple interface to setup physical systems and provides common simulation tasks to be used as building blocks to set up rather complex simulations. Data is automatically stored in efficient formats (i.e. HDF5 and gzipped files).

Simulations can also be used in the context of parameter scans where each simulation is executed for each specified parameter combination. Submission of simulation jobs to computing clusters is easily achieved from the command line.

Furthermore, analysis and plotting tools are provided to interpret the simulation outcome.