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Input Script for LAMMPS - Part 1

Offered By: NPTEL-NOC IITM via YouTube

Tags

Molecular Dynamics Courses Materials Science Courses Computational Chemistry Courses

Course Description

Overview

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Learn how to create and structure input scripts for LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) in this comprehensive 47-minute video lecture. Explore the essential components and syntax of LAMMPS input files, understanding how to define simulation parameters, specify atom types and interactions, set up initial configurations, and control simulation output. Gain practical insights into writing efficient and effective input scripts for molecular dynamics simulations using LAMMPS, a powerful open-source software package widely used in computational materials science and chemistry research.

Syllabus

Input script for LAMMPS 1


Taught by

NPTEL-NOC IITM

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