Pinned Repositories
bsym
A Basic Symmetry Module (Python)
kinisi
A Python package for estimating diffusion properties from molecular dynamics simulations.
lattice_mc
Lattice gas Monte Carlo simulation code
py-sc-fermi
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 energies.
pyscses
PYthon Space-Charge Site-Explicit Solver
python_in_chemistry
site-analysis
Tools for analysing molecular dynamics simulations using site occupations
VASP-Utilities
A collection of command line utilities for manipulating VASP input / outpu
vasppy
A Python suite for manipulating VASP input and output
bjmorgan's Repositories
bjmorgan/kinisi
A Python package for estimating diffusion properties from molecular dynamics simulations.
bjmorgan/vasppy
A Python suite for manipulating VASP input and output
bjmorgan/lattice_mc
Lattice gas Monte Carlo simulation code
bjmorgan/py-sc-fermi
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 energies.
bjmorgan/VASP-Utilities
A collection of command line utilities for manipulating VASP input / outpu
bjmorgan/bsym
A Basic Symmetry Module (Python)
bjmorgan/python_in_chemistry
bjmorgan/site-analysis
Tools for analysing molecular dynamics simulations using site occupations
bjmorgan/pyscses
PYthon Space-Charge Site-Explicit Solver
bjmorgan/polyhedral-analysis
bjmorgan/advent-of-code-2022
bjmorgan/data_argyrodite_disorder
bjmorgan/figure_formatting
bjmorgan/manuscript_latex_template
bjmorgan/pimaim
PIMAIM molecular dynamics code
bjmorgan/2d_percolation
bjmorgan/advent-of-code-2023
bjmorgan/beagle
bjmorgan/CH22008
bjmorgan/codecov-action
GitHub Action that uploads coverage to Codecov :open_umbrella:
bjmorgan/data_TiOF2
TiOF2 calculations
bjmorgan/jupyter_cc_1
bjmorgan/jupyterbook_test
bjmorgan/kroger-vink
LaTeX macros for Kröger-Vink notation
bjmorgan/latex_tools
Command line scripts for helping wrangle LaTeX files
bjmorgan/PFBot
bjmorgan/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
bjmorgan/sc-fermi
Calculates self-consistent Fermi level given defect formation energies and the density of states.
bjmorgan/vasprun
quick analysis of vasp calculation
bjmorgan/version_information
IPython magic command for showing version information for dependency modules in a notebook.