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 Computing Elastic Constants at nonzero temperature
• M09 MD++ Powered by Tcl Language
• M10 Computing Ideal Strength
• M11 Angular momentum is conserved or not?

Technical details

• MD++ FAQs
• MD Potential Files
• Making Movies in MD++

Advanced topics

• Notes on Ewald Summation
• Computing Melting Point by Free Energy Method
• M04A Conjugate Gradient Method in MD++