published Published 3 months ago
SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases
Python
published Published 8 months ago
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
Python
published Published 10 months ago
J2suscep: Calculation of magnetic exchange coupling and temperature dependence of magnetic susceptibility
Fortran Awk
published Published over 1 year ago
GIMS: Graphical Interface for Materials Simulations
Python JavaScript
published Published over 1 year ago
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
Python
published Published about 2 years ago
PyZFS: A Python package for first-principles calculations of zero-field splitting tensors
Python
published Published almost 4 years ago