Top 3 C++ orbital Projects

HartreeFock

15 49 7.1 C++

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

Project mention: Help making plot for experiment | /r/cpp_questions | 2023-06-02

For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock
DFTAtom

3 22 4.7 C++

Density Functional Theory in real space, for atoms, LDA and LSDA (by aromanro)
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DFTQuantumDot

3 22 5.4 C++

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

Project mention: Help making plot for experiment | /r/cpp_questions | 2023-06-02

In this one I used VTK to plot 3D data: https://github.com/aromanro/DFTQuantumDot

NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020). The latest post mention was on 2023-06-02.