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GraphDMC

Kinetic Monte Carlo code for simulating point defect dynamics and aggregation in graphitic systems

User Manual

Contents:

1. Overview
2. Representation of system structure
3. Representation of potential energy surface
4. Installation and execution
5. Input and Output files 5.1. gkin.dat 5.2. system.in 5.3. ens.dat 5.4. iens.dat 5.5. Standard output 5.6. system.out 5.7. system.xyz 5.8. tens.out
6. Examples
7. References