<commit_before># KMC_Lattice

## General Information
This object-oriented C++ software package contains a general framework for lattice kinetic Monte Carlo (KMC) simulations.  This framework consists of a number of utility functions and base classes 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. 

This KMC_Lattice package uses the first reaction method with adjustable event recalculation for computationally efficient simulations.  The package is designed to be usable on a personal computer and on high performance computing clusters.  A simple example implementation of this general KMC framework can be found in the derived [KMC_Lattice_example](https://github.com/MikeHeiber/KMC_Lattice_example) package.  Check out the [Excimontec](https://github.com/MikeHeiber/Excimontec) software package to see a more detailed tool used for simulating organic semiconductor materials and devices.

For further reading about kinetic Monte Carlo simulations, a nice overview of the theory and algorithm can be found here:

[Introduction to the Kinetic Monte Carlo Method by <NAME>, Los Alamos National Lab](http://www.fml.t.u-tokyo.ac.jp/~izumi/CMS/MC/Introduction_kMC.pdf)

## Work Together

If you would like to contribute to the development of this project or would like some help in building an efficient KMC simulation tool for your specific scientific problem, please contact me to discuss a collaboration.  You can check out my KMC research and other work on [Researchgate](https://www.researchgate.net/profile/Michael_Heiber).

## Package Contents

Object class - This base class can be extended to represent any entity that one would like to simulate.  It could represent an electron, atom, molecule, organism, etc. depending on the application. The Object class contains the fundamental properties and back-end operations that any given entity simulation would require.<commit_msg>v2.0-beta.2 Development Update 1b<commit_after># KMC_Lattice

## General Information
This object-oriented C++ software package contains a general framework for lattice kinetic Monte Carlo (KMC) simulations.  This framework consists of a number of utility functions and base classes that must be extended to create a fully 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. 

This KMC_Lattice package uses the first reaction method with adjustable event recalculation for computationally efficient simulations.  The package is designed to be usable on a personal computer and on high performance computing clusters.  A simple example implementation of this general KMC framework can be found in the derived [KMC_Lattice_example](https://github.com/MikeHeiber/KMC_Lattice_example) package.  Check out the [Excimontec](https://github.com/MikeHeiber/Excimontec) software package to see a more detailed tool used for simulating organic semiconductor materials and devices.

For further reading about kinetic Monte Carlo simulations, a nice overview of the theory and algorithm can be found here:

[Introduction to the Kinetic Monte Carlo Method by <NAME>, Los Alamos National Lab](http://www.fml.t.u-tokyo.ac.jp/~izumi/CMS/MC/Introduction_kMC.pdf)

## Work Together

If you would like to contribute to the development of this project or would like some help in building an efficient KMC simulation tool for your specific scientific problem, please contact me to discuss a collaboration.  You can check out my KMC research and other work on [Researchgate](https://www.researchgate.net/profile/Michael_Heiber).

## Package Contents

Object class - This base class can be extended to represent any entity that one would like to simulate.  It could represent an electron, atom, molecule, organism, etc. depending on the application. The Object class contains the fundamental properties and back-end operations that any given entity simulation would require.
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