Bulk deleting spam GitHub Issues
A short article about using GitHub's command line interface tools to bulk-delete spam issues in a repository.
Blog
A blog of Python-related topics and code.
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Higher Orders of Rainbow
The different orders of rainbow caused by different number of internal reflections of light in a rain droplet are simulated and a derivation of their angular size given. The provided code simulates the rainbow orders that would be observed away from and towards the sun, …
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Modelling a Phase Change with Kawasaki Dynamics
The Kawasaki dynamics formalism from statistical physics provides a simple model of a phase change (for example, the condensation of a gas at low enough temperature). Considering a gas of particles on a two-dimensional lattice of cells, a given configuration's energy can be calculated as …
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Which is the most intense line in a rotational spectrum?
Abstract Most textbooks and lecture notes on molecular spectroscopy assert that the most intense transition in the pure rotational (microwave) absorption spectrum () of a closed-shell, diatomic molecule is given, as a function of temperature, by the formula (where is the molecule's rotational constant and …
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Converting between an OS grid reference and longitude/latitude
The UK Ordnance Survey is the national mapping agency for Great Britain. Its maps refer to locations using a grid of easting and northing coordinates (the British National Grid) instead of a graticule of longitude and latitude, but there is an algorithm for converting between …
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Highlighting a country on a Cartopy map
Cartopy is a Python package for geospatial data processing, map production and other geospatial data analyses. This short script plots a map of the world using an orthographic projection and highlights a specified country.
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Making a map out of dots
A Python script to generate stylised maps with land regions depicted by spaced markers (circles, polygons, etc).
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Transforming the molecular kinetic energy operator to an origin at the centre of mass of the nuclei
This previous article derived the form of the kinetic energy operator for a diatomic molecule with the space-fixed origin at the molecular centre of mass: where is the reduced mass of the nuclei, is the electron mass, is the total molecular mass (including the electrons), …
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Two's complement and Python indexing
This blog post explains how computers represent signed integers using two's complement, where negative numbers are stored by inverting all bits of the positive number and adding 1 (e.g. -13 becomes 11110011). This system simplifies arithmetic operations and avoids dual representations of zero.This can be …
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Transforming the molecular kinetic energy operator to an origin at the molecular centre of mass
The molecular kinetic energy operator for a diatomic molecule may be written where and are the momentum operators for the two nuclei and electrons, respectively. are the masses of the nuclei and is the electron mass. The vector differential operator del is and being the …
