DFTAtom
KKR
Our great sponsors
DFTAtom | KKR | |
---|---|---|
3 | 6 | |
23 | 17 | |
- | - | |
4.7 | 5.7 | |
about 1 month 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.
DFTAtom
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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?
KKR
- Creative block si harababura din open source
- Cum faceti lucruri dificile?
- ChatGPT, azi programator, maine somer?
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Niște sfaturi?
Proiectul asta: https://github.com/aromanro/KKR poate fi extins: https://github.com/aromanro/KKR/issues
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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?
DFTQuantumDot - Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK
EventMolecularDynamics - A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
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
turbulucid - A Python package for visualising 2D CFD datasets.
VQMCMolecule - Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
MuST - Multiple Scattering Theory code for first principles calculations
EmpiricalPseudopotential - Band structure computation using empirical pseudopotentials