PytLab / VASPy
Manipulating VASP files with Python.
☆282Updated 2 years ago
Alternatives and similar repositories for VASPy:
Users that are interested in VASPy are comparing it to the libraries listed below
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆244Updated this week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆172Updated 8 years ago
- Solvation model for the plane wave DFT code VASP.☆149Updated 9 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆232Updated last week
- Heavyweight plotting tools for ab initio calculations☆220Updated last month
- New ASE compliant Python interface to VASP☆128Updated 2 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆167Updated last week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆157Updated last week
- p4vasp, the VASP Visualization Tool☆141Updated 2 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆252Updated 9 months ago
- A Python package for manipulating atomistic data of software in computational science☆209Updated last week
- A suite of computational materials science tools.☆136Updated last year
- Phonon code☆389Updated this week
- A Python library for electronic structure pre/post-processing☆181Updated last week
- C library for finding and handling crystal symmetries☆315Updated last week
- Useful scripts for VASP☆187Updated 3 years ago
- A book on modeling materials using VASP, ase and vasp☆385Updated 9 months ago
- Public repo for Materials API documentation☆140Updated 2 years ago
- atomate2 is a library of computational materials science workflows☆216Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆124Updated 6 months ago
- Electronic transport properties from first-principles calculations☆145Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆182Updated this week
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆148Updated last year
- band plot using python matplotlib☆161Updated 6 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- ab-initio nonadiabatic molecular dynamics program☆105Updated 11 months ago
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆169Updated last month
- A simulation package of phonon-phonon interaction related properties☆137Updated this week
- A code to generate atomic structure with symmetry☆310Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆284Updated last month