First Beta Release!

Minor updates in this release:

• Removed the standard namespace from header files to prevent the standard namespace from automatically being applied to all files when including this package as part of a larger software package.
• Updated the Lattice class to use a long integer datatype for site indices to allow larger lattices.
• Added getN_events function to the Simulation class to return the number of events in the event list to allow detection of edge cases where there are no available events.
• Corrected bug in calculating the bin positions in the calculateProbabilityHist function within the Utils

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 and the Utils file 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
• API documentation created with Doxygen

This release was developed under the financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD).

Minor Alpha Update

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 minor update contains the addition of several new functions to the Utils namespace and Lattice class.

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 and the Utils file 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
• API documentation created with Doxygen

This release was developed under the financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD).

API Documentation Update

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 minor improvements throughout the codebase, a major refactoring of the Simulation class to separate out a new separate Lattice class, and complete API documentation using doxygen.

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 and the Utils file 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
• API documentation created with Doxygen

This release was developed under the financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD).

Utils, Bug Fix, and Cleanup Update

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 improvements to the Utils and fixes a rare bug in the Simulation class that occurred when there are no valid events for an object.

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 and the Utils file 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

Event calculateExecutionTime Update

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

Excimontec v0.1-alpha Release Update

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 new features, modifications, and bug fixes implemented during the development of Excimontec v0.1-alpha.

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.

KMC_Lattice v1.0: First 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.