dftcxx
C++ based DFT program for educational purposes (by ifilot)
DFTAtom
Density Functional Theory in real space, for atoms, LDA and LSDA (by aromanro)
dftcxx | DFTAtom | |
---|---|---|
1 | 3 | |
52 | 24 | |
- | - | |
1.4 | 4.7 | |
about 1 year ago | about 2 months ago | |
C++ | C++ | |
GNU General Public License v3.0 only | GNU General Public License v3.0 only |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
dftcxx
Posts with mentions or reviews of dftcxx.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-07-18.
DFTAtom
Posts with mentions or reviews of DFTAtom.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-08-29.
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What language is best for a chemistry simulator?
DFT in real space, but only for an atom: https://github.com/aromanro/DFTAtom (for a molecule it's much harder, you cannot go with 1D as in that project).
- Did I just understand Quantum Theory?
- Voi la ce produs propriu lucrati?
What are some alternatives?
When comparing dftcxx and DFTAtom you can also consider the following projects:
DFTQuantumDot - Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
HartreeFock - 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
KKR - Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
VQMCMolecule - Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach