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Event calculateExecutionTime Update

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@MikeHeiber MikeHeiber released this 12 May 04:04
· 110 commits to master since this release

This object-oriented C++ software package contains a general framework for lattice kinetic Monte Carlo (KMC) simulations. This framework consists of a number of base classes and utility functions that must be extended to create a full operational KMC simulation. The goal of this package is to be robust and flexible so that users can easily develop KMC simulations for a wide variety of different scientific problems without the need to start from scratch. See the readme file for more information.

This update contains a change to how event execution times are calculated in order to simplify the implementation of derived Event classes.

Major changes since KMC_Lattice v1.0:

  • Replaced boost random number generator usage with the standard random number generator introduced in C++11, so that the boost library is no longer required.
  • The Event class now calculates and stores the execution time of the event instead of the wait time.
  • Added functions to the Event and Site classes that enable the calculation of reaction events between two objects.
  • Added new functions to the Simulation class that make it easier to build new simulation applications.
  • The Event class now has a default function for calculating the execution time that can be overloaded in derived Event classes for implementing more complex mechanisms