DFTQuantumDot
Optimization-Codes-by-ChatGPT
| DFTQuantumDot | Optimization-Codes-by-ChatGPT | |
|---|---|---|
| 3 | 2 | |
| 23 | 5 | |
| - | - | |
| 5.4 | 5.4 | |
| about 2 months ago | 11 months ago | |
| C++ | Fortran | |
| 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?
Optimization-Codes-by-ChatGPT
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Fortran tutorial using ChatGPT
Another experiment with ChatGPT was using it to generate subroutines for numerical optimization: https://github.com/Beliavsky/Optimization-Codes-by-ChatGPT .
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How can I integrate ChatGPT with a compiler?
I have used ChatGPT-4 to generate Fortran code, for example for numerical optimization. Often it produces working code on the first try, but sometimes it produces code that won't compile but which it can fix after I feed it the error messages from the compiler. I have gcc (includes compilers for C, C++, Fortran, and other programming languages) installed on my Windows PC. How could I create a program that
What are some alternatives?
KKR - Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
Fortran-with-ChatGPT - Questions about Fortran answered by ChatGPT-4, reviewed by a human
Poisson - Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects
prima - PRIMA is a package for solving general nonlinear optimization problems without using derivatives. It provides the reference implementation for Powell's derivative-free optimization methods, i.e., COBYLA, UOBYQA, NEWUOA, BOBYQA, and LINCOA. PRIMA means Reference Implementation for Powell's methods with Modernization and Amelioration, P for Powell.
EmpiricalPseudopotential - Band structure computation using empirical pseudopotentials
WRF - The official repository for the Weather Research and Forecasting (WRF) model
LatticeBoltzmann - A 2D Lattice Boltzmann program
stdlib - Fortran Standard Library
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
cg-sys - Rust binding of fortran CG+ subroutine
DFTAtom - Density Functional Theory in real space, for atoms, LDA and LSDA
util - My machine learning, optimization, and data science utilities package.