Tingliangstu / Lammps_toolsLinks
Some scripting tools used for lammps input or output
☆59Updated 2 months ago
Alternatives and similar repositories for Lammps_tools
Users that are interested in Lammps_tools are comparing it to the libraries listed below
Sorting:
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 8 months ago
- VASPKIT_manual markdown source!☆79Updated 6 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…☆55Updated 6 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆121Updated 6 years ago
- A python interface of NEP☆57Updated 7 months ago
- A grain boundary generation code☆69Updated last year
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 8 months ago
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- 新生入学培训资料☆19Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- ☆39Updated 5 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆68Updated last week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆52Updated 7 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆85Updated 3 years ago
- Tutorials on atomic simulations related to my research☆29Updated 3 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- 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☆76Updated 4 years ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆28Updated 3 weeks ago
- potfit force-matching code☆40Updated last year
- A lite tool for monitoring convergence in VASP relaxation☆16Updated last year
- ☆57Updated 3 months ago
- ☆57Updated 7 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago