Option 1: Using git:
git clone https://github.com/ExpHP/kmc-dichalcogen.git
which will put it all in a folder called kmc-dichalcogen.
Updates can be received by doing git pull in that folder.
Option 2: You can download a zip file here. (this link always points to the latest version)
Go to where the "demo1" folder is located (don't go inside it) and run:
python3 -m demo1 test-cfg.yaml
This runs the script with some not-terribly-well-thought-out default settings. For a list of these settings, type:
python3 -m demo1 --help
The config file specifies stuff like which events are allowed to occur in the simulation, and their rates or energy barriers. It is a recent addition and its contents are not documented (beyond that it is, obviously, a YAML file) on the basis that they are likely to undergo significant change.
The output currently leaves something to be desired. It is currently just JSON output listing the events which occured in the simulation, intended to be written to a file for use as input to something else. (for instance, the animation script accepts it as input, and there will eventually be a post-processing script that uses it to computes rates)
A small number of components have unit tests:
./tests.sh
The program has a lot of redundant data structures to improve efficiency;
these can be checked for internal consistency using debug flags like
--no-incremental or --validate-every.
Some important higher-level properties like probability distribution are difficult to fit into the standard testing model, and will require a more scientific approach.
Requires Python 3 now, mostly because I forgot that I was trying to accomodate Python 2 (oopsies).
At the time of writing, the core script requires numpy and tabulate
(and the numpy dependence is only used for one terrible feature
that I want to eventually remove). Other scripts may require whatever.
In case this text falls out of date (which it likely will), just try running it and ask for help when it fails.