published Published about 1 year ago
LobsterPy: A package to automatically analyze LOBSTER runs
Python
published Published over 1 year ago
easyunfold: A Python package for unfolding electronic band structures
Python
published Published almost 2 years ago
Atomic Simulation Interface (ASI): application programming interface for electronic structure codes
C
published Published over 2 years ago
pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations
Python
published Published over 3 years ago
cRacklet: a spectral boundary integral method library for interfacial rupture simulation
Fortran Python
published Published over 4 years ago
AutoFunc: A Python package for automating and verifying functional modeling
Python
published Published over 4 years ago
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
Python
published Published almost 5 years ago
Tamaas: a library for elastic-plastic contact of periodic rough surfaces
Python C++
published Published about 5 years ago