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Examples

Running on the command line

After pip installing RunKMC, you can run the core C++ engine on the commandline. There are two required arguments:

  • input.txt: The path to the input file
  • output/: The output directory for the results

There are also two optional command line arguments:

  • --report-polymers: outputs as polymers.dat. Contains the full polymer sequence.
  • --report-sequences: outputs as sequences.csv. Contains positional sequence information along the polymer chain.

Example:

  • runkmc CRP3_Example.txt output/ --report-sequences

Running through python

The file run.py in this directory has example code for how to run the above code in python.

Running with SPaRKS

SPaRKS imports RunKMC into a more unified interface with deterministic models. Examples can be found in the SPaRKS repository and the supporting manuscript repository.