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KMC_Lattice_example v1.1-beta

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@MikeHeiber MikeHeiber released this 14 May 04:10
· 13 commits to master since this release

This object-oriented C++ software tool provides a simple demonstration of how to use the KMC_Lattice package to create a lattice kinetic Monte Carlo simulation. This example shows how to extend the base classes in the KMC_Lattice package to simulate exciton creation, diffusion, and decay in an organic semiconducting material. See the readme file for more information.

Changes in v1.1-beta:
This update contain a number of adjustments that now makes it simpler to construct a lattice KMC simulation

  • updated code to work with new KMC_Lattice update, v1.1-alpha.2
  • corrected event queue handling so that events are chosen based on their calculated execution time instead of their calculated wait time
  • simplified implementation of logfile output
  • simplified pointer usage
  • reduced the code needed to implement events
  • removed static class variables that define the exciton properties, so that exciton properties are more flexible and can be assigned and accounted for in the Exciton_sim class when calculating the events, which allows different excitons in the simulation to have different properties