GitHub topics: orbitals
gap-packages/OrbitalGraphs
Computations with orbital graphs in GAP
Language: Jupyter Notebook - Size: 128 KB - Last synced at: about 1 month ago - Pushed at: about 2 months ago - Stars: 3 - Forks: 4
radi0sus/orca_orb
Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.
Language: Python - Size: 520 KB - Last synced at: 25 days ago - Pushed at: about 6 years ago - Stars: 7 - Forks: 0
vlvovch/hydrogen-atom-orbitals
Source code of the Hydrogen Atom Orbitals app for Android
Language: Java - Size: 193 KB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 8 - Forks: 0
liam-ilan/electron-orbitals
Hydrogen electron orbitals, and the software to render them.
Language: Python - Size: 339 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 37 - Forks: 1
dom128/Atomic-Orbitals-in-Blender
Use Blender's powerfull raytracing engine to plot atomic wavefunctions and probability densities in 3D space.
Size: 39.6 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 1 - Forks: 0
JFurness1/AtomicOrbitals
A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.
Language: Python - Size: 311 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 16 - Forks: 7
derekharrison/hydrogen-orbitals
Visualization of the hydrogen atom orbitals using the analytical solution of the time independent Schrodinger equation for the hydrogen atom
Language: C++ - Size: 2.94 MB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 3 - Forks: 0
yangwangmadrid/mbfo
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
Size: 937 KB - Last synced at: over 1 year ago - Pushed at: almost 2 years ago - Stars: 4 - Forks: 0
rafaariza/Orbitales
Python script to visualize spherical harmonics.
Language: Python - Size: 110 KB - Last synced at: over 1 year ago - Pushed at: almost 5 years ago - Stars: 3 - Forks: 0
bakhshiali/nanophotonic-simulation
Here we are trying to model & simulate the band structures (tightbinding, FDTD, PWE (plane wave expansion), Density Functional theory (DFT), ...)
Language: Jupyter Notebook - Size: 4.43 MB - Last synced at: almost 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 0
piotrfutymski/Hartree-Fock-App-Linux
Hartree fock method implementation
Language: C++ - Size: 21.5 MB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0
dsvatunek/cube_phasechange
Changes the phases in a Gaussian cube file
Language: Python - Size: 7.81 KB - Last synced at: almost 2 years ago - Pushed at: over 6 years ago - Stars: 0 - Forks: 0
