XuhaoWan / CN-related-SACs
☆18Updated 3 years ago
Alternatives and similar repositories for CN-related-SACs:
Users that are interested in CN-related-SACs are comparing it to the libraries listed below
- ☆25Updated 3 years ago
- ☆19Updated 3 months ago
- ☆18Updated last year
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- ☆185Updated 9 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆24Updated last year
- ☆23Updated 2 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.☆19Updated last month
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆47Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆17Updated 3 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 5 years ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 3 weeks ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆54Updated 5 years ago
- Generate random alloys and compute various properties☆48Updated 2 months ago
- Visualize vibrational modes from VASP calculations☆37Updated last week
- ☆18Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated last month
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- ☆48Updated 2 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆28Updated last week
- ASE interface for fully constant potential with VASP☆29Updated 3 months ago
- A collection of examples for running different types of VASP calculations.☆29Updated 8 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆53Updated 2 years ago
- Practical guide on how to use VASP☆18Updated 4 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…☆52Updated 5 years ago