Installation¶
Download¶
To download MonteCoffee , simply clone the git:
git clone https://gitlab.com/ChemPhysChalmers/MonteCoffee.git
or download a .zip archive:
https://gitlab.com/ChemPhysChalmers/MonteCoffee/-/archive/master/MonteCoffee-master.zip
Setup¶
MonteCoffee is presently installed, simply by copying (or linking) the base-file folder to the run-directory which contains the user-specific files.
To verify that the code runs successfully on your current workstation, you can run:
python3 test.py
in one of the tutorial folders.
Dependencies¶
- MonteCoffee depends on the following Python packages:
Numpy used for array manipulations.
Matplotlib for plotting results.
ASE for handling atomic structures.
h5py for handling file output and compression
mpi4py for running various kMC simulations in parallel
