KMCLib 1.0.0 documentation
KMCLib user’s guide
Contents
::
Introduction
»
KMCLib user’s guide
¶
Contents:
Introduction
Why KMC?
Why KMCLib?
Algorithm
Installation
Compiler
MPI
Make system
SWIG
Build the externals
Build C++ and test the backend
Run the Python tests
Usage examples
One-dimensional diffusion
An Ising spin model with custom rate calculator
Three-dimensional diffusion
KMCLib API
KMCConfiguration
KMCInteractions
KMCProcess
KMCLocalConfiguration
KMCUnitCell
KMCLattice
KMCLatticeModel
KMCControlParameters
Plugin Interfaces
KMCRateCalculatorPlugin
KMCAnalysisPlugin
Analysis
On-the-fly mean square displacement (MSD)
Time-step distribution
Your contributions
Non-API code
CoordinateUtilities
CheckUtilities
ConversionUtilities
SaveAndReadUtilities
PrintUtilities
Error
Trajectory
LatticeTrajectory
XYZTrajectory
References
About
Legal
Credit
How to cite?
Contact
Contents
::
Introduction
»
