west-code-development / West
WEST code
☆14Updated 7 months ago
Related projects: ⓘ
- software package for tight-binding DFT calculations on ground and excited states of molecules☆9Updated 4 years ago
- n2v: Density-to-potential Inversion Suite☆21Updated 2 years ago
- SPMS table of pseudopotentials☆19Updated last year
- ☆14Updated 3 weeks ago
- Lecture materials for: Ab initio methods in solid state physics.☆20Updated 2 months ago
- Crawford's Quantum Chemistry Exercises by Python approach☆28Updated 2 years ago
- TDEP Tutorials☆18Updated 10 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆23Updated 9 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆17Updated 4 years ago
- Mathematica modules for electronic structure calculations☆24Updated last year
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆18Updated this week
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 2 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆16Updated 3 years ago
- Hartree-Fock Python☆17Updated last year
- systematic molecular fragmentation by annihilation☆11Updated 4 years ago
- ☆20Updated last year
- Toolkit using the Atomistic Simulation Environment (ASE)☆18Updated 4 years ago
- Amateurish molecular electronic structure program.(for linux)☆21Updated 7 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆31Updated 2 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated 10 months ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆25Updated last month
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated last year
- Tight Binding Machine Learning Toolkit☆35Updated last month
- ☆13Updated last year
- Real-time TDDFT for Quantum-Espresso☆23Updated last year
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆16Updated 3 years ago
- Interactive tutorials for the PIMD Massive Open Online Course☆16Updated last year
- QuAcK: a software for emerging quantum electronic structure methods☆23Updated this week