PytLab / VASPyLinks
Manipulating VASP files with Python.
☆291Updated 3 years ago
Alternatives and similar repositories for VASPy
Users that are interested in VASPy are comparing it to the libraries listed below
Sorting:
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆179Updated last month
- p4vasp, the VASP Visualization Tool☆152Updated 3 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆264Updated 9 months ago
- New ASE compliant Python interface to VASP☆144Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆181Updated last week
- Solvation model for the plane wave DFT code VASP.☆171Updated 4 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆274Updated this week
- band plot using python matplotlib☆179Updated last year
- Useful scripts for VASP☆199Updated 4 years ago
- A Python library for electronic structure pre/post-processing☆201Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 4 months ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- ☆128Updated 6 years ago
- Phonon code☆454Updated 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
- Ab initio simulator for thermal transport and lattice anharmonicity☆185Updated 2 weeks ago
- Heavyweight plotting tools for ab initio calculations☆241Updated 8 months 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☆124Updated 3 years ago
- Fix lattice component(s) during relaxation in VASP☆136Updated 2 months ago
- Public repo for Materials API documentation☆143Updated 3 years ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- C library for finding and handling crystal symmetries☆353Updated last month
- Electronic transport properties from first-principles calculations☆158Updated this week
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆77Updated 2 years ago
- ☆232Updated 5 years ago
- A Python package for manipulating atomistic data of software in computational science☆243Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆152Updated last week
- A suite of computational materials science tools.☆142Updated last year
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆234Updated this week
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Updated 10 months ago