DFTQuantumDot
LatticeBoltzmann
DFTQuantumDot | LatticeBoltzmann | |
---|---|---|
3 | 1 | |
23 | 52 | |
- | - | |
5.4 | 4.9 | |
about 2 months ago | 3 months ago | |
C++ | C++ | |
GNU General Public License v3.0 only | GNU General Public License v3.0 only |
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DFTQuantumDot
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Help making plot for experiment
In this one I used VTK to plot 3D data: https://github.com/aromanro/DFTQuantumDot
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What language is best for a chemistry simulator?
A density functional theory project that could be extended to use non-local pseudopotentials to compute a molecule: https://github.com/aromanro/DFTQuantumDot (there is an example in there on how to compute a molecule but without pseudo potentials, so it works only on simple ones like H2 or so, for an example with a pseudo-potential - but a simple local one - check out the python repository).
- Did I just understand Quantum Theory?
LatticeBoltzmann
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[Programming side-project] Porting Lattice Boltzmann onto graphic card
For now, I have it working on 2D on cpu, but multithreaded, as it's very easy to parallelize: aromanro/LatticeBoltzmann: A 2D Lattice Boltzmann program (github.com)
What are some alternatives?
KKR - Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Blender-FLIP-Fluids - The FLIP Fluids addon is a tool that helps you set up, run, and render high quality liquid fluid effects all within Blender, the free and open source 3D creation suite.
Poisson - Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects
SolarSystem - A solar system simulator with Verlet, using OpenGL for displaying.
EmpiricalPseudopotential - Band structure computation using empirical pseudopotentials
adaptive-mesh-refinement - OpenFoamĀ® motorBike case with adaptive volume & surface mesh refinement based on curl(U) or grad(p)
HartreeFock - A program implementing the HartreeāFock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
nrg - A simple program implementing the numerical renormalization group
DFTAtom - Density Functional Theory in real space, for atoms, LDA and LSDA
EventMolecularDynamics - A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
Optimization-Codes-by-ChatGPT - numerical optimization subroutines in Fortran generated by ChatGPT-4
fluid-engine-dev - Fluid simulation engine for computer graphics applications