pyMonteCarlo

pyMonteCarlo is a programming interface to run identical simulations using different Monte Carlo programs. The interface was designed to have common input and output that are independent of any Monte Carlo code. This allows users to combine the advantages of different codes and to compare the effect of different physical models without manually creating and running new simulations for each Monte Carlo program. The analysis of the results is also simplified by the common output format where results are expressed in the same units.

pyMonteCarlo is mainly designed and developed to fulfill simulation needs and solve problems faced by the electron microscopy and microanalysis community. Adapting pyMonteCarlo to other scientific fields is not completely excluded, but it is a more long-term objective.

Goals

pyMonteCarlo has the following goals:

  • Provide a common interface to setup Monte Carlo simulations for the electron microscopy and microanalysis community.
  • Provide a common interface to analyze and report results from simulations.
  • Easy way to create several simulations by varying one or more parameters.
  • Store results in a open, easy accessible file format.
  • Support several Monte Carlo programs.
  • Be extensible to new Monte Carlo programs.
  • Run on multiple operating systems, including on computer clusters.

Reversely, pyMonteCarlo does not attempt to:

  • Support all the finer details and particularities of each Monte Carlo program. pyMonteCarlo tries to be as general as possible. This allows the same simulation options to be simulated on several programs.
  • Provide new features to existing Monte Carlo program. Each program is taken as is. The development of new features is left to the original authors of the program.
  • Provide a complete suite of analysis tools. pyMonteCarlo provides general tools to tabulate and plot results. This cannot however fulfill the needs of all users. Results can be exported to csv and Excel file. Users can also write their own Python scripts to analyze their results.

License

pyMonteCarlo and the packages providing interfaces to Monte Carlo programs are licensed under Apache Software License 2.0. All graphical user interface (GUI) packages are licensed under GPL v3.

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