Collection of notebooks demonstrating various multicanonical sampling strategies on a simple bead-spring single chain polymer.
- Basic_MMC.ipynb : Simple canonical (single temperature) MC
- MUCA.ipynb : Multicanonical sampling with iteratively refined weights
- WL.ipynb : Wang-Landau method based on density of states in energy
- TMMC.ipynb : Transition matrix MC method
Requirements are Jupyter, Numpy and Matplotlib.
If using the SCRTP managed Linux computers then:
module load GCC/11.3.0 OpenMPI/4.1.4 SciPy-bundle/2022.05 matplotlib/3.5.2 IPython/8.5.0
will get you everything you need. See:
https://docs.scrtp.warwick.ac.uk/taskfarm-pages/applications-pages/jupyter.html
for how to launch a remotely accessible Jupyter server on a shared SCRTP server.