MD++ Manuals

Manuals

• M01 Introduction to MD++
• M02 Making a Perfect Crystal
• M03 Equilibrium Lattice Constant and Bulk Modulus
• M04 Energy Minimization of Vacancy
• M05 Finite Temperature Simulation
• M06 Visualization
• M07 Computing Elastic Constants at T = 0
• M08 MD++ Powered by Tcl Language
• M09 Computing Ideal Strength
• M10 Visualize Disregistry vector
• Molecular Simulations Lecture Notes
• Case Studies of Crystals and Dislocations
• An Example Script File
• An Example Tcl File

Technical details

• MD++ FAQs
• MD Potential Files
• Making Movies in MD++
• Output File Formats in MD++
• Running MD++ on Mac OS

Advanced topics

• Notes on Ewald Summation
• Computing Melting Point by Free Energy Method
• Conjugate Gradient Methods in MD++
• Computing Elastic Constants at Finite Temperature
• Conservation of Angular Momentum
• Use MEAM in MD++
• Monte Carlo Simulation of 2D Ising Model
• Phonon dispersion relation