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Latest revision as of 23:10, 16 September 2015
Manuals
- MD++ Documentation
- 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
- M11 MD++ Powered by Python
- 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
- Submit MD++ Jobs to a Cluster
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 of Graphene
- Calculating diffusivity