Kane Shenton's repositories
castep_outputs
Parser for CASTEP output files
soprano
Soprano - a Python library to crack crystals!
cif2cell
Generating geometries for electronic structure calculations from CIF files.
magresview-2
MagresView 2.0 - NMR crystallography visualisation app
three-bmfont-text
renders BMFont files in ThreeJS with word-wrapping
soprano-tools
Galaxy tool wrappers for Soprano tools for NMR crystallography
jks_python
Python scripts and modules to help with common tasks
spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
csd-python-api-scripts
Example scripts using the CSD Python API
dotfiles
My basic messy configuration files
pymuon-suite
Collection of scripts and utilities for muon spectroscopy
CASMcode
First-principles statistical mechanical software for the study of multi-component crystalline solids
cp2k
Quantum chemistry and solid state physics software package
Muons_in_MnF2
Supplemental material for "Covalent charge-neutral muon state in antiferromagnetic MnF2"
PyXtal
A code to generate atomic structure with symmetry
crystvis-js
A Three.js based crystallographic visualisation tool
matsci-docker
Docker files for various materials science software
muesr
A python package containing tools and functions to evaluate local fields at the muon site for muon spin rotation and relaxation spectroscopy
jkshenton.github.io
Build a beautiful and simple website in literally minutes. Demo at http://deanattali.com/beautiful-jekyll
Muons_in_Cr2O3
Supplemental material for _Observation of a charge-neutral muon polaron complex in antiferromagnetic Cr$_2$O$_3$_
BFO_effective_mass_SI
Supplementary material for our study on factors influencing effective mass in BiFeO3.
CodingTrainWebsite
Coding Train website
BFO_dftu_SI
DFT+U study of BiFeO3 using VASP and pymatgen
conquest_utilities
A set of utilities to work with the linear-scaling DFT code CONQUEST.
atomistic_playground
Learning and making things with ASE
quantum_problems
Some jupyter notebooks with quantum information/computation problems sheets and my attempts at their solutions.