exchange-correlation-functionals
Here are 6 public repositories matching this topic...
Skala exchange-correlation functional
- Updated Aug 28, 2026
- Python
XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
- Updated Nov 30, 2022
- C++
This is a mirror. Please check our main website on gitlab.
- Updated Jan 14, 2026
- C++
Julia bindings to the libxc library for exchange-correlation functionals
- Updated Aug 25, 2026
- Julia
Atomic structure calculations
- Updated Aug 13, 2026
- Python
Siam Quantum 2: An open-source C toolbox for quantum modeling and electronic structure development.
- Updated Feb 7, 2026
- C
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