Quantum-Dynamics-Hub / libra-codeLinks
☆52Updated 3 weeks ago
Alternatives and similar repositories for libra-code
Users that are interested in libra-code are comparing it to the libraries listed below
Sorting:
- Tutorials showcasing various capabilities of Libra☆23Updated last month
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆19Updated 4 years ago
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆42Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆26Updated 7 months ago
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- Analysis of quantum chemical interactions in molecules and solids.☆110Updated last week
- Repository for all summer program related programs☆47Updated last month
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆73Updated 4 months ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆23Updated 7 months ago
- ☆23Updated 2 months ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆73Updated 3 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- ☆32Updated last year
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated last month
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Updated 3 months ago
- ☆33Updated 11 months ago
- Open-source stochastic GW software☆13Updated 5 months ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 10 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 4 months ago
- Python-based plane wave density functional theory code for educational purposes☆31Updated 6 months ago
- Coupled-cluster package written in Python.☆46Updated last month
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated 2 months ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆65Updated last month
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆40Updated last month
- ☆11Updated 7 months ago
- Interactive tutorials for the PIMD Massive Open Online Course☆24Updated 2 years ago