Pinned

1. HartreeFock HartreeFock Public

   A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

   C++ 52 16

2. RayTracer RayTracer Public

   A ray tracing program

   C++ 118 17

3. DFTAtom DFTAtom Public

   Density Functional Theory in real space, for atoms, LDA and LSDA

   C++ 24 6

4. QCSim QCSim Public

   Quantum computing simulator

   C++ 25 5

5. MachineLearning MachineLearning Public

   From linear regression towards neural networks...

   C++ 17

6. KKR KKR Public

   Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

   C++ 18 6