VQMCMolecule
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach (by aromanro)
KKR
Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation (by aromanro)
| VQMCMolecule | KKR | |
|---|---|---|
| 2 | 6 | |
| 13 | 18 | |
| - | - | |
| 5.6 | 5.7 | |
| 3 months ago | 3 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.
VQMCMolecule
Posts with mentions or reviews of VQMCMolecule.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-08-29.
-
What language is best for a chemistry simulator?
You could also go with Quantum Monte Carlo, here is one such project, but limited to max 2 atoms: https://github.com/aromanro/VQMCMolecule (the general case is more difficult).
- Did I just understand Quantum Theory?
KKR
Posts with mentions or reviews of KKR.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2023-06-22.
- Creative block si harababura din open source
- Cum faceti lucruri dificile?
- ChatGPT, azi programator, maine somer?
-
Niște sfaturi?
Proiectul asta: https://github.com/aromanro/KKR poate fi extins: https://github.com/aromanro/KKR/issues
-
Approximately how many hours do you spend on one personal project?
For example, I've made this https://github.com/aromanro/KKR in a matter of days.
- Programatori care NU ati terminat o facultate, v-a incurcat vreodata cu ceva acest aspect?
What are some alternatives?
When comparing VQMCMolecule and KKR you can also consider the following projects:
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
EventMolecularDynamics - A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
DFTAtom - Density Functional Theory in real space, for atoms, LDA and LSDA
turbulucid - A Python package for visualising 2D CFD datasets.
DFTQuantumDot - Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
MuST - Multiple Scattering Theory code for first principles calculations
EmpiricalPseudopotential - Band structure computation using empirical pseudopotentials