LAMMPS code for stacking fault energy calculation
☆12Sep 23, 2020Updated 6 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:
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆15Nov 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.☆40May 15, 2026Updated 5 months ago
- Thermodynamics of solids in the quasiharmonic approximation.☆39Apr 1, 2026Updated 7 months ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Matlab code for calculation of geometrically necessary dislocation densities from EBSD data☆37Aug 8, 2019Updated 7 years ago
- APEX: Alloy Properties EXplorer using simulations☆49Jul 27, 2026Updated 3 months ago
- POST code for second order elastic constant☆47Apr 14, 2020Updated 6 years ago
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- ☆24Jul 25, 2021Updated 5 years ago
- Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools☆11Jun 23, 2026Updated 4 months ago
- An application for designing Al-Fe-Co-Cr-Ni high-entropy alloys by combining first-principles calculations and machine learning.☆30May 7, 2026Updated 5 months ago
- A grain boundary generation code☆88Sep 12, 2023Updated 3 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。☆51Jun 9, 2021Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Use Neper to create an input file and update it to include materials and sections for each generated grain☆27Dec 16, 2019Updated 6 years ago
- Link Neper polycrystal generator with Abaqus CAE☆44Aug 1, 2020Updated 6 years ago
- 登陆大连理工大学校园 网的脚本☆20Dec 6, 2019Updated 6 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated last year
- Pyrough - a tool to build 3D samples with rough surfaces for atomistic and finite-element simulations☆32Jul 24, 2026Updated 3 months ago
- Multiple Scattering Theory code for first principles calculations☆77Oct 24, 2026Updated last week
- Surface segregation using Deep Reinforcement Learning☆13Aug 30, 2021Updated 5 years ago
- Machine Learning Interatomic Potential Predictions☆93Feb 15, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Oct 9, 2026Updated 3 weeks ago
- Atomistic Manipulation Toolkit☆96Aug 6, 2026Updated 2 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆12Updated this week
- Finite element polycrystal plasticity☆63May 6, 2025Updated last year
- Transfer learning repo☆11Feb 6, 2025Updated last year
- A plugin for the AiiDA platform providing workflows for calculations with defects☆12Aug 22, 2024Updated 2 years ago
- Calculate higher-order elastic constant by first-principles or machine learning force field (interatomic potential)☆13Oct 24, 2026Updated last week
- The open framework for on-the-fly off-lattice kinetic Monte Carlo simulations.☆16Mar 11, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 基于python的PLUMED的可视化界面开发☆14Jan 8, 2025Updated last year
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 4 months ago
- Tools and python module to assist in tabulation of pair and EAM potentials for atomistic simulation.☆13Dec 22, 2022Updated 3 years ago
- Grain-boundary generator with Atomman☆13Sep 24, 2022Updated 4 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆13Oct 23, 2026Updated last week
- Diffusion Structure Search☆10Jan 9, 2025Updated last year