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Tools associated with the Monte Carlo simulation program DL_MONTE

Project description

Python tools associated with the Monte Carlo simulation program DL_MONTE (project homepage: https://gitlab.com/dl_monte).

Key functionality includes:

  • Functions for applying various analysis methods to data obtained from molecular simulation, including histogram reweighting and block averaging
  • A Python interface to DL_MONTE
  • A framework for automating calculations of, e.g. isotherms, using DL_MONTE

See the 'README.md' file for more detailed information about this library.

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