Tingliangstu / Lammps_toolsLinks
Some scripting tools used for lammps input or output
☆62Updated 7 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:
- 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…☆57Updated 6 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- A grain boundary generation code☆79Updated 2 years ago
- VASPKIT_manual markdown source!☆81Updated 6 years ago
- Examples demonstrating how to reproduce the results in the paper.☆68Updated last year
- ☆73Updated 8 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆31Updated 4 years ago
- 新生入学培训资料☆18Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆49Updated 6 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 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 postprocessing tools☆74Updated last week
- Fix lattice component(s) during relaxation in VASP☆130Updated 3 weeks ago
- Tutorials related to GPUMD☆73Updated last week
- A python interface of NEP☆67Updated last month
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Updated 3 years ago
- ☆39Updated 2 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆106Updated last week
- 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
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆37Updated 9 years ago
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- ☆127Updated 6 years ago
- ☆60Updated last year
- LAMMPS plugins for thermal conductivity and density of states calculation☆49Updated 6 years ago
- ☆60Updated last year
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago