gmp007 / elastoolLinks
A toolkit for automatic calculation and analysis of elastic constants
☆14Updated 7 months ago
Alternatives and similar repositories for elastool
Users that are interested in elastool are comparing it to the libraries listed below
Sorting:
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Updated 5 years ago
- POST code for second order elastic constant☆46Updated 5 years ago
- 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。☆50Updated 4 years ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆78Updated 3 months ago
- A toolkit for automatic calculation and analysis of elastic constants☆54Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆43Updated 4 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆32Updated 6 years ago
- A grain boundary generation code☆79Updated 2 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆20Updated 8 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.☆37Updated 3 weeks ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- Some scripting tools used for lammps input or output☆62Updated 8 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Updated 3 years ago
- Files used in tutorials☆46Updated 5 years ago
- Generate random alloys and compute various properties☆64Updated last year
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆29Updated 8 months ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆90Updated this week
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 6 years ago
- ☆16Updated last year
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Updated 3 years ago
- generator of simple atomistic models☆28Updated 7 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Updated 4 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.