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This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural network (ANN) potential parameter file of BCC iron.
ALLM: Active Learning for Accelerated Design of Layered Materials
Aluminum crystal melting in LAMMPS
All code / data for Atomify server
Evaluation of elastic constants of copper in the fcc configuration
molecular dynamics with non-constant force field, temperature-dependent force-field and radiative thermostat
Best Practices for Computing Interfacial Properties from Molecular Dynamics Simulations
A Package to Hand VASP output File
Simple CNT builder in python for LAMMPS
This is a tutorial to rum LAMMPS simulation to calculate cohesive energy of nickel using eam potential.
Collective variables module for molecular simulation and analysis programs
A collection of tools meant to make various tasks easier when doing computational materials science focused on LAMMPS
The LAMMPS input files and data analysis scripts used in the paper "Communication: Computing the Tolman length for solid-liquid interfaces"
Crack propagation simulation in 3D lattice - FCC - Ni lattice
Cu clusters obatained from Deep learning based global optimization
A deep learning package for many-body potential energy representation and molecular dynamics
Machine Learning Potential fitting over a DFT data of Aluminum
LAMMPSを使った拡散現象の計算サンプル
Dislocation evolution Monte Carlo simulation for graphitic systems employing the AIREBO potential with LAMMPS
ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
A simple LAMMPS isothermal ageing test with the FeCr.cdeam potential file
Codes to use free-end NEB (Nudged Elastic Bands) in LAMMPS
Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals
LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
LAMMPS code for stacking fault energy calculation
Molecular dynamics simulations of ionic polymer metal composites (IPMCs)
A declarative, efficient, and flexible JavaScript library for building user interfaces.
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Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
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We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
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Data-Driven Documents codes.
China tencent open source team.