published Published 5 months ago
pyCADMium: Chemical Atoms in Diatomic Molecules. A prolate spheroidal Python module for embedding calculations
Python
published Published about 1 year ago
cRacklet: a spectral boundary integral method library for interfacial rupture simulation
Fortran Python
published Published almost 2 years ago
AutoFunc: A Python package for automating and verifying functional modeling
Python
published Published over 2 years ago
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
Python
published Published over 2 years ago
Tamaas: a library for elastic-plastic contact of periodic rough surfaces
Python C++
published Published almost 3 years ago
The MFrontGenericInterfaceSupport project
C C++ Fortran Python
published Published over 3 years ago