Shared files and documentation for the Keeling/Lovett groups
Computing documentation and useful notes
- cirrus/
- cirrus_guide.pdf - guide to using the Cirrus HPC (EPCC)
- monitor-memory.sh - script to monitor memory of a Cirrus job
- submit-example.slurm - example submission script
- run-example.sh - example job script
- python_profiling_howto.pdf - 2-minute guide to profiling Python scripts
Files for public engagement or other publishing
- logos/- logos for: Uni. St Andrews, CM-CDT, QM-CDT, SUPA, UKRI/EPSRC, OQuPy
Notes and scripts relating to physics/maths
- cumulant_expansion.pdf - terms in the cumulant expansion up to fifth order
- fftfreqs.pdf - notes on using numpy.fft to compute discrete Fourier transforms to approximate integrals
- ffv2t.py - improved fft interpolation with endpoint corrections
- figtools.py - function to extract data from matplotlib axes objects
- mf-tempo_two_molecule_example.py - script to demonstrate use of MF-TEMPO for the case of two molecules, with dynamics and two-time correlation calculations
- molecular_spectrum.py - plot the spectrum of a single molecule with a power law spectral density
- quantum_cumulants.jl - single atom example using the QuantumCumulants.jl Julia package
Guides to submission and publication in journals
- how_to_publish.pdf - overview of publishing a paper, plus guide to submitting in Physical Review Letters with Supplementary Material
- prl_arxiv_outdated.pdf - old guide to create a PRL (or APS) submission with Supplementary Material (SM), plus an arXiv submission. NOT RECOMMEND.
- helper_scripts/ - scripts used in outdated PRL+SM/arXiv workflow