Installation of MALADA

Python packages

In order to run MALA you have to have the following packages installed:

• ase
• numpy
• scipy

See also the requirements.txt file. You can install each Python package with

$ pip install packagename

or all with

$ pip install -r requirements.txt

or just install the package along with dependencies

$ pip install -e .

(note: the -e is absolutely crucial, so that changes in the code will be reflected system wide)