HartreeFock
EmpiricalPseudopotential
| HartreeFock | EmpiricalPseudopotential | |
|---|---|---|
| 15 | 1 | |
| 51 | 5 | |
| - | - | |
| 6.2 | 4.2 | |
| 5 days ago | 3 months ago | |
| C++ | C++ | |
| GNU General Public License v3.0 only | GNU General Public License v3.0 only |
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.
HartreeFock
-
Help making plot for experiment
For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock
- Algoritm pentru verificare daca reshape este posibil fara copiere de date la array multidimensional
-
GPT3 is a sad reality
Try to obtain this https://github.com/aromanro/HartreeFock from GPT3 and see what you really get out of it.
- Ce parere aveti despre Chat-GPT? Tocmai ce am creat un mic "shopping" website cu ajutorul lui:
-
The connection between math and CS
I have some projects on that topic here: https://github.com/aromanro?tab=repositories since it's one of my hobbies. If I would have to point out one of them for the usage of maths, I could point out this one: https://github.com/aromanro/HartreeFock but there are plenty of other projects there that requires quite a bit of mathematics to understand and implement.
-
Where does the math in quantum mechanics get "hard"?
Here is my implementation of that algorithm (together with some other stuff, like perturbation theory, coupled-cluster, configuration-interaction and so on): https://github.com/aromanro/HartreeFock
- Sa iau o pauza de la proiecte personale?
- Did I just understand Quantum Theory?
-
What’s your favourite programming project that you’ve completed?
From the open source ones, probably this one: https://github.com/aromanro/HartreeFock It started 'small' then I extended it based on tutorials from here: https://github.com/CrawfordGroup/ProgrammingProjects (and not only).
-
Proiecte
Cel mai complex proiect personal e asta: https://github.com/aromanro/HartreeFock
EmpiricalPseudopotential
What are some alternatives?
nwchem - NWChem: Open Source High-Performance Computational Chemistry
nrg - A simple program implementing the numerical renormalization group
RayTracer - A ray tracing program
DFTQuantumDot - Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
matplotplusplus - Matplot++: A C++ Graphics Library for Data Visualization 📊🗾
BzMeshBandsDos - Band Structure and Density of States computation of the Brillouin Zone.
psi4 - Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
turbulucid - A Python package for visualising 2D CFD datasets.
EventMolecularDynamics - A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
Poisson - Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects
cexprtk - cexprtk is a cython wrapper around "C++ Mathematical Expression Toolkit Library (ExprTk)". Using cexprtk a powerful mathematical expression engine can be incorporated into your python project.
KKR - Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation