PytLab / VASPyLinks
Manipulating VASP files with Python.
☆290Updated 3 years ago
Alternatives and similar repositories for VASPy
Users that are interested in VASPy are comparing it to the libraries listed below
Sorting:
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆271Updated last week
- Solvation model for the plane wave DFT code VASP.☆168Updated 2 months ago
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆258Updated 7 months ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆180Updated 9 years ago
- p4vasp, the VASP Visualization Tool☆150Updated 3 years ago
- Phonon code☆443Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆175Updated last month
- A Python library for electronic structure pre/post-processing☆195Updated 2 weeks ago
- Heavyweight plotting tools for ab initio calculations☆235Updated 7 months ago
- band plot using python matplotlib☆177Updated last year
- Useful scripts for VASP☆194Updated 3 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated this week
- ☆127Updated 6 years ago
- A Python package for manipulating atomistic data of software in computational science☆237Updated this week
- C library for finding and handling crystal symmetries☆347Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- Electronic transport properties from first-principles calculations☆157Updated last week
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具☆75Updated 5 years ago
- A book on modeling materials using VASP, ase and vasp☆414Updated last year
- Public repo for Materials API documentation☆143Updated 3 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆223Updated last week
- ☆228Updated 5 years ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆125Updated 3 years ago
- Fix lattice component(s) during relaxation in VASP☆128Updated 2 weeks ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆376Updated last month
- A code to generate atomic structure with symmetry☆346Updated this week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆147Updated 8 months ago