libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
Fortran 405 131
Materials science with Python at the atomic-scale
Python 251 70
Testing framework for silicon interatomic potentials
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Fast neighbour list for particle simulations on CPUs and GPUs
Nested Sampling code
Extended XYZ specification and parsers
Python Nested Sampling for Materials, the Next Generation
python workflow toolkit
Display Atoms with Python
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