LAMMPS code for stacking fault energy calculation
☆11Sep 23, 2020Updated 5 years ago
Alternatives and similar repositories for Intrinsic-Stacking-Fault-Energy
Users that are interested in Intrinsic-Stacking-Fault-Energy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 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.☆38Dec 23, 2025Updated 3 months ago
- APEX: Alloy Properties EXplorer using simulations☆42May 7, 2025Updated 10 months ago
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 2 years ago
- some toolkits for VASP☆34Apr 30, 2021Updated 4 years ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 5 years ago
- ☆22Jul 25, 2021Updated 4 years ago
- Thermodynamics of solids in the quasiharmonic approximation.☆39Mar 1, 2026Updated 3 weeks 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。☆50Jun 9, 2021Updated 4 years ago
- An application for designing Al-Fe-Co-Cr-Ni high-entropy alloys by combining first-principles calculations and machine learning.☆28Nov 17, 2025Updated 4 months ago
- Matlab code for calculation of geometrically necessary dislocation densities from EBSD data☆37Aug 8, 2019Updated 6 years ago
- Use Neper to create an input file and update it to include materials and sections for each generated grain☆26Dec 16, 2019Updated 6 years ago
- Pyrough - a tool to build 3D samples with rough surfaces for atomistic and finite-element simulations☆28Mar 12, 2026Updated last week
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 8 months ago
- 登陆大连理工大学校园网的脚本☆20Dec 6, 2019Updated 6 years ago
- A grain boundary generation code☆83Sep 12, 2023Updated 2 years ago
- Multiple Scattering Theory code for first principles calculations☆75Mar 17, 2026Updated last week
- 基于python的PLUMED的可视化界面开发☆12Jan 8, 2025Updated last year
- ☆12Updated this week
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆15Aug 15, 2025Updated 7 months ago
- A Julia package for fitting the equation of state of solids, and more☆15Sep 18, 2025Updated 6 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 6 months ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 4 months ago
- Machine Learning Interatomic Potential Predictions☆94Feb 15, 2024Updated 2 years ago
- A pytorch toolbox designed for experimentation using a generalization of the Resnet design.☆15Jul 6, 2023Updated 2 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Feb 25, 2026Updated last month
- ☆13Nov 16, 2022Updated 3 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Atomistic Manipulation Toolkit☆95Aug 4, 2025Updated 7 months ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated last year
- Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools☆11Aug 2, 2024Updated last year
- Python tools for working with LAMMPS files☆15Jan 5, 2026Updated 2 months ago
- High-throughput workflows to calculate surface energies of solids.☆11Jun 24, 2024Updated last year
- Link Neper polycrystal generator with Abaqus CAE☆42Aug 1, 2020Updated 5 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago