bjmorgan
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mchammer-pt Public
Parallel tempering / replica exchange orchestrator for mchammer Monte Carlo simulations with icet cluster expansions
Python MIT License UpdatedMay 16, 2026 -
mchammer-moves Public
Custom Monte Carlo moves for icet/mchammer canonical sampling
Python MIT License UpdatedMay 14, 2026 -
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chainorder Public
Chain decomposition and order parameters for ReO3-type anion ordering
Python MIT License UpdatedMay 7, 2026 -
hofmann Public
Ball-and-stick crystal structure viewer for Python. Publication-quality vector output (SVG, PDF) and trajectory animations (GIF, MP4) via matplotlib, with ASE and pymatgen interoperability.
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vasppy Public
A Python suite for manipulating VASP input and output
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site-analysis Public
Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites
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lattice_mc Public
Lattice gas Monte Carlo simulation code
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ch22013_intro Public
Lecture notes for the CH22013 introductory lecture at the University of Bath
CSS Other UpdatedFeb 2, 2026 -
py-sc-fermi Public
py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic equilibrium (or quasi-equilibrium) given defect formation ener…
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Lecture notes for the Neutrons for Sustainable Energy SwedNess training school
TeX Other UpdatedDec 9, 2025 -
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revelsmd Public
Forked from user200000/revelsmdRevels MD is a developmental code for calculating structural quantities from atomistic simulations with reduced variance
Python MIT License UpdatedOct 21, 2025 -
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pengWann Public
Forked from PatrickJTaylor/pengWannA lightweight Python package for calculating well-established descriptors of chemical bonding from Wannier functions.
Python GNU General Public License v3.0 UpdatedFeb 14, 2025 -
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latex_tools Public
Command line scripts for helping wrangle LaTeX files
Python MIT License UpdatedJul 6, 2024 -
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