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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:

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 '' file for more detailed information about this library.

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dlmontepython-0.1.dev12.tar.gz (5.1 MB view hashes)

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