MabinogiX / VASP-scriptLinks
☆124Updated 6 years ago
Alternatives and similar repositories for VASP-script
Users that are interested in VASP-script are comparing it to the libraries listed below
Sorting:
- Useful scripts for VASP☆193Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Fix lattice component(s) during relaxation in VASP☆124Updated 3 years ago
- ab-initio nonadiabatic molecular dynamics program☆114Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆132Updated last week
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- band plot using python matplotlib☆175Updated 11 months ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆176Updated 9 years ago
- Solvation model for the plane wave DFT code VASP.☆162Updated 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☆77Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Updated 6 years ago
- ☆66Updated 5 months ago
- ☆57Updated 3 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☆123Updated 3 years ago
- Some scripting tools used for lammps input or output☆60Updated 4 months ago
- A lite tool for monitoring convergence in VASP relaxation☆17Updated last year
- A collection of scripts to interpret/organize VASP output files☆24Updated 8 years ago
- ☆44Updated 7 years ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆83Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆127Updated last month
- 新生入学培训资料☆18Updated 3 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆169Updated 2 months ago
- ASE interface for fully constant potential with VASP☆36Updated 11 months ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- ☆29Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- ☆57Updated 10 months ago
- A grain boundary generation code☆76Updated 2 years ago