gmp007 / elastool
A toolkit for automatic calculation and analysis of elastic constants
☆12Updated 4 months ago
Related projects ⓘ
Alternatives and complementary repositories for elastool
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆15Updated 7 years ago
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆46Updated 4 months ago
- A toolkit for automatic calculation and analysis of elastic constants☆46Updated 8 months ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆28Updated 4 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆25Updated 10 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆36Updated 3 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆27Updated 5 years ago
- POST code for second order elastic constant☆39Updated 4 years ago
- ☆15Updated 3 years ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆59Updated this week
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆33Updated 3 years ago
- Calculate 3rd order elastic constant.☆13Updated 3 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆24Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 3 weeks ago
- An efficient deterministic solver for phonon BTE☆28Updated 11 months ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆61Updated this week
- 针对开源模拟软件Lammps导出的数据文件,个人采用Python脚本进行数据处理并科研绘图,并取得相关的论文成果。☆38Updated 3 years ago
- Generate random alloys and compute various properties☆46Updated 5 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- Phase field model for material science applications.☆23Updated 5 years ago
- Examples demonstrating how to reproduce the results in the paper.☆49Updated 2 weeks ago
- The phase field code of simulation about reversible domain switch phenomena in ferroelectric material.☆15Updated 3 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 2 years ago
- ELATE: Elastic tensor analysis☆70Updated 7 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 9 months ago
- ParaDiS (Parallel Dislocation Simulator) is a massively parallel Discrete Dislocation Dynamics simulation tool to simulate motion and int…☆44Updated last month
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- LAMMPS code for stacking fault energy calculation☆10Updated 4 years ago
- Computational Materials Science(Book)☆69Updated last month